Authors: Marc Schmitt
Abstract: In algorithmic markets, predictive models become part of the data-generating process they aim to forecast. Once their outputs are converted into trades, allocations, execution schedules, or risk controls, they change the future data on which they are evaluated. I introduce algometrics, a framework for time series whose evolution depends on the predictive algorithms forecasting them. The framework distinguishes historical risk, measured under passive forecasting, from deployment risk, measured when forecasts drive actions. I prove three results. First, deployment risk is not identifiable from passive historical data alone: even in a one-step linear feedback model, infinitely many algorithm-mediated environments induce the same historical law while implying different deployment risks for the same forecaster. Second, historical model rankings can invert under crowding, so a predictor with lower passive error can have higher deployment error once similar algorithms are adopted. Third, randomized or instrumented actions identify short-horizon linear feedback, and I derive a finite-sample bound for deployment-risk estimation. These results suggest that time-series benchmarks in algorithmic markets should report feedback sensitivity alongside predictive accuracy.
Authors: Heqiang Wang, Weihong Yang, Zheyuan Yang, Jia Zhou, Xiaoxiong Zhong, Fangming Liu, Weizhe Zhang
Abstract: Industrial anomaly detection has attracted significant attention as a fundamental challenge in industrial systems. The rapid advancement of heterogeneous industrial sensors has driven industrial anomaly detection from unimodal to multimodal paradigms. However, existing methods are primarily designed for centralized and offline settings, overlooking the distributed and continuously generated data characteristic of real-world industrial environments. With the advancement of edge intelligence, modern edge devices are increasingly capable of not only data acquisition but also distributed model training, enabling collaborative intelligence across the system. Industrial anomaly detection represents a critical application in this context. Motivated by these challenges, we propose a novel framework termed Multimodal Online Distributed Industrial Anomaly Detection (MODIAD). We first present a comprehensive workflow for MODIAD and then formulate a Multi-class Intelligent Scheduling (MIS) problem to coordinate cross class model updates by balancing data sufficiency and class update frequency. To efficiently solve this problem, we design a Sequential Marginal Gain Greedy (SMG) algorithm that enables effective multi-class training under resource constraints. Furthermore, to improve the computational and communication efficiency during training, we propose an Resource Efficient Class-Wise Low Rank Adaptation (REC-LoRA) strategy, which significantly reduces system overhead while preserving detection performance. Extensive experiments on two representative multimodal industrial anomaly detection datasets, MVTec 3D-AD and Eyecandies demonstrate that the proposed approach achieves superior performance and efficiency under the MODIAD scenario.
Authors: Amin Abbasishahkoo, Mahboubeh Dadkhah, Lionel Briand
Abstract: Fault detection for Deep Neural Networks (DNNs) has received increasing attention in recent years. While more advanced hybrid approaches have been proposed to combine multiple sources of information and outperform earlier techniques, they often incur substantial computational overhead, limiting scalability and practicality in real-world settings. In this paper, we introduce Concept-Aware Fault Detection (CAFD), a learning-based approach that achieves superior fault detection performance by effectively integrating multiple information sources while maintaining practical efficiency. Specifically, CAFD is trained using a carefully selected set of informative features, including model-based signals derived from the DNN's outputs, distance-based features, and a novel concept-based feature, called Concept Failure Ratio (CFR). CFR leverages Vision-Language Models (VLMs) to extract textual concepts from images and quantify the likelihood that their presence is associated with DNN failures. By incorporating this feature, CAFD benefits from complementary semantic information, enabling more effective fault detection. Our results demonstrate that CFR serves as an effective indicator for DNN fault detection. We conduct an extensive empirical evaluation of CAFD, comparing it against five state-of-the-art baselines across three subject DNN models and datasets, including ImageNet. Across a wide range of constrained selection budgets, CAFD consistently outperforms all baselines in Fault Detection Rate (FDR), achieving average FDR improvements of 18.3% across all investigated subjects and budget sizes.
Authors: Neel Somani
Abstract: Mechanistic interpretability often identifies circuits inside Transformer models, but explanations of those circuits are usually validated through examples, ablations, and manual reasoning. This leaves a gap between finding a plausible circuit and proving what the circuit does. We introduce Verifiable Transformers, a framework for converting task-localized Transformer circuits into bounded, solver-checkable claims. Given a behavior, a finite task domain, and a candidate-token projection, we extract a task circuit and verify properties such as projected functional equivalence, edge necessity, task-relevant invariance, and final-residual robustness. Direct verification encodes the extracted circuit itself into an SMT solver. When a circuit contains operators that are not exactly or tractably encodable, surrogate-mediated verification fits an SMT-encodable surrogate, validates it against the extracted circuit over the bounded domain, and verifies symbolic explanations against the surrogate. We instantiate direct verification with a GPT-style architecture using Signed L1 BandNorm, sparsemax attention, and LeakyReLU. On small symbolic sequence tasks, we train an SMT-representable Transformer, extract sparse circuits for quote closing and bracket type tracking, and exhaustively verify projected functional equivalence, content invariance, edge necessity, and final-residual robustness. At GPT-2 scale, the same operator stack trains stably on OpenWebText, although naive direct SMT verification remains intractable. We also demonstrate surrogate-mediated verification on task-localized circuits with hard-to-encode attention, showing both verified symbolic explanations and solver-generated counterexamples. The goal is not full-model verification, but a concrete path for turning mechanistic circuit explanations into formal propositions that can be proven or refuted.
Authors: Xiaotian Liu, Shuyuan Shang, Xiaopeng Wang, Pu Ren, Yaoqing Yang
Abstract: Neural operators serve as fast, data-driven surrogates for scientific modeling but typically rely on a monolithic, single-pass inference procedure that struggles to resolve high-frequency details, a limitation known as spectral bias. We introduce the Iterative Refinement Neural Operator (IRNO), which augments pre-trained operators with a learned refinement module iteratively applied via fixed-point iteration. IRNO decomposes the prediction into a coarse initialization followed by successive residual corrections, paralleling classical numerical solvers. Under local assumptions, we establish contraction of the induced operator, ensuring convergence to a unique fixed point. To explicitly target high-frequency errors, we propose a progressive spectral loss that adaptively increases penalty on high-frequency components over refinement steps during training. Across physical systems, IRNO consistently lowers error, with up to 56.05% improvement on turbulent flow. On Active Matter, spectral analysis reveals that, relative to base operator, the normalized error ratios decrease to 27.72-36.10% in low-, 5.07-6.68% in mid-, and 1.48-2.04% in high-frequencies, remaining stable beyond the trained iteration count. Code is available at https://github.com/xiaotianliu-dartmouth/Iterative_Refinement_Neural_Operator
URLs: https://github.com/xiaotianliu-dartmouth/Iterative_Refinement_Neural_Operator
Authors: Alexander Okezue Bell
Abstract: Of $1{,}536$ Gaussian release covariances we tested for single-layer hidden-state privacy, zero achieve both moderate utility and moderate privacy against an adaptive retrieval attacker. We prove a complementary Fisher-ball lower bound: every full-rank Gaussian release at $O(1)$ Fisher utility admits a direction whose Mahalanobis signal grows linearly in hidden width, ruling out uniform Gaussian safety in the class and matching the empirical empty middle. The diagonal inverse-Fisher release $\Sigma^\star_{\mathrm{diag}}(\mathcal{K}) = (2\mathcal{K}/d)\,\mathrm{diag}(1/F_{ii})$ is the unique minimax-optimal diagonal mechanism at first-order KL budget $\mathcal{K}$ and the only release with worst-attacker top-1 $\le 0.001$ at every point of a 32 model-layer grid, but it sits on a privacy/utility edge rather than filling the middle. A generalized-eigen mechanism reaching $13\times$ Pareto reduction under Euclidean retrieval collapses to $100\%$ top-1 under the adaptive Mahalanobis attacker, and a full-trajectory sequence inverter recovers $94\%$ of clean GPT-2 prefixes but $0\%$ under $\Sigma_{\mathrm{diag}}$. A split-memory transformer trained from scratch reaches $G_{\mathrm{Mah}} \in [20, 33]$ at 90M and maintains a $6$--$24\times$ advantage over same-budget GPT baselines from 30M to 1B at a fixed-token language-modeling loss penalty; pretrained models top out at 9.3. These results reframe hidden-state release from mechanism-design within the Gaussian class to architecture or release co-design.
Authors: Sanchit Kabra, Nikhil Abhyankar, Saaketh Desai, Prasad Iyer, Chandan K Reddy
Abstract: Scientific discovery is a closed-loop process in which hypotheses guide data acquisition and observations refine the hypothesis space. Yet most approaches reduce discovery to supervised learning over fixed datasets, where limited observations can support multiple plausible mechanisms that fit locally but fail to generalize. Thus, the key challenge is selecting informative observations to resolve uncertainty, shifting the focus from static inference to adaptive data acquisition. To address this, we propose LLM-AutoSciLab, a closed-loop framework that couples hypothesis generation with hypothesis-conditioned experiment selection and mechanism refinement. Rather than fitting models to passively collected data, LLM-AutoSciLab iteratively proposes plausible hypotheses, selects informative experiments to distinguish or refine them, and updates its state using the resulting evidence. To evaluate dynamic, closed-loop scientific discovery with active data acquisition, we introduce ActiveSciBench, comprising two datasets: ActiveSciBench-Chem with 57 enzyme-kinetics tasks and ActiveSciBench-GRN with 45 gene-regulatory-network tasks. These datasets model discovery as a budget-constrained process requiring adaptive experiment design, variable selection, and recovery of true mechanisms. Across NewtonBench, ActiveSciBench-Chem, and ActiveSciBench-GRN, LLM-AutoSciLab outperforms prior methods, achieving 67.6% and 35.1% symbolic accuracy on NewtonBench and ActiveSciBench-Chem, respectively, and 31.1% exact graph recovery on ActiveSciBench-GRN. Moreover, hypothesis-guided experimentation is 2-5x more sample-efficient than the strongest competing baselines. Code and data are available at: https://github.com/scientific-discovery/LLM-AutoSciLab
URLs: https://github.com/scientific-discovery/LLM-AutoSciLab
Authors: Zhaohan Meng, Zhen Bai, Ke Yuan, Iadh Ounis, Zaiqiao Meng, Hao Xu, Joseph Loscalzo
Abstract: Protein-ligand modeling underpins computational drug discovery and molecular design. Existing protein-ligand benchmarks typically evaluate whether a protein and ligand interact and how strongly they bind, through tasks such as binary binding prediction and affinity regression. However, these evaluations provide limited evidence of whether models can localize binding sites or identify the non-covalent interactions underlying molecular recognition. To address this gap, we introduce InteractBind, a large-scale protein-ligand dataset comprising approximately 100k protein-ligand pairs, together with a benchmark for fine-grained evaluation. The core fine-grained task is that of binding-site localization, which uses protein-residue and ligand-atom interaction maps spanning six major types of non-covalent interactions to assess whether model-derived interaction maps localize binding sites. InteractBind further includes binding affinity and protein similarity-controlled splits to support realistic generalization assessment. Using InteractBind, we evaluate eight existing sequence-based and interaction-aware models, assessing binary binding prediction and binding-site localization. Results reveal limited binding-site localization despite strong binary binding prediction, with marked variation across non-covalent interaction types. Overall, InteractBind establishes a benchmark paradigm that encourages the development of more interpretable and physically grounded protein-ligand models.
Authors: Yichi Zhang, Kevin Lu, Yuang Zhang, Jie Gao, Lirong Xia, Fang-Yi Yu
Abstract: Multi-AI collaboration, such as ensembling or debating large language models (LLMs), is a promising paradigm for aggregating information and boosting performance. A foundational step in these pipelines is to feed the responses of several proposer LLMs into a summarizer LLM, which synthesizes a better answer. However, choosing which proposers to include is non-trivial. Existing approaches primarily focus either on accuracy (picking the strongest models) or diversity (ensuring variety), and often overlook the interactions among proposers and with the summarizer. We reframe proposer selection as a combinatorial selection problem akin to feature selection, where the value of an LLM lies in its complementarity with others. However, directly applying standard feature-selection algorithms is impractical in the LLM setting due to prohibitive time complexity. Motivated by this limitation, we explore an extensive range of computationally feasible, greedy-style selection algorithms that assess complementarity using a small labeled set. Our experiments validate complementarity as a guiding principle for proposer selection and identify methods that achieve the best performance-cost trade-offs in practice.
Authors: Shugang Hao, Lingjie Duan
Abstract: To better serve users' demands in mobile applications (e.g., navigation), mobile crowdsourcing platforms can iteratively align large language model (LLM)-generated content (e.g., AI-generated traffic condition predictions) with human feedback collected from crowdsourcing workers (e.g., mobile users). However, workers may strategically misreport their online preference feedback to maximize their influence or payment. Existing pipelines in mobile crowdsourcing (e.g., EM-based weight estimation) fail to identify the most accurate worker in this online setting, resulting in a linear regret $\mathcal{O}(T)$ over $T$ time slots. In this paper, we study truthful online preference aggregation for LLM fine-tuning in mobile crowdsourcing. We formulate a new dynamic Bayesian game to model the multi-agent online learning process between the platform and strategic mobile workers. We propose a novel online weighted aggregation mechanism that dynamically adjusts each worker's weight in the preference aggregation according to their feedback accuracy. We prove that our mechanism ensures truthful feedback from strategic workers and achieves a sublinear regret $\mathcal{O}(\sqrt{T})$ over $T$ time slots. We further extend our mechanism to a challenging scenario with limited worker feedback per time slot, still guaranteeing a sublinear regret $\mathcal{O}(\sqrt{T})$. Experiments on LLM fine-tuning with real-world datasets further demonstrate significant performance gains of our mechanisms over benchmark schemes.
Authors: Yuefeng Liu, Ning Yang, Ziyu Yang
Abstract: Real-world time-series data in industrial sensing, healthcare, and energy systems is often corrupted by a mixture of Gaussian noise and occasional large-magnitude impulse outliers. For tasks that depend on local shape, such as ECG morphology analysis and battery degradation monitoring, the main requirement is not only low reconstruction error but also preservation of derivative peaks and task-critical features. We propose Cascade-KDE, a training-free restoration framework for corrupted time series. The method first estimates a two-dimensional temporal-amplitude density, then applies a Density-Truncated Robust Expectation to limit the influence of distant abnormal points, and finally refines the sequence through an exponential cascade with adaptive stopping. This design aims to improve robustness under out-of-distribution impulse corruptions while keeping the restored trajectory close to the original local structure. Across several benchmark datasets, the proposed method shows consistent gains over classical filters and representative learning-based baselines on curve fidelity, derivative preservation, downstream classification, and runtime efficiency. These results suggest that bounded density-based restoration is a practical option for feature-preserving preprocessing in noisy time-series pipelines.
Authors: Fuming Yang
Abstract: Neural networks acquire structured representations at specific moments during training, yet identifying these transitions typically relies on retrospective, label-dependent metrics. We introduce a bifurcation theory of representation dynamics to detect these moments in real time. Analyzing a passive GMM probe attached to the evolving encoder, we show the onset of structure corresponds to a supercritical pitchfork bifurcation driven by the loss Hessian. The system exhibits a theoretically predictable zero-crossing ($\beta_c$) that, compared to the network's current state ($\beta$), yields a dynamic ratio $\beta(t)/\beta_c(t)$: a universal, label-free phase coordinate for representation dynamics, computable entirely from hidden states. We empirically validate four distinct transition regimes predicted by this coordinate across diverse settings: SAEs on language models (Pythia), SSL (CIFAR), and grokking (modular arithmetic). Crucially, under finite dissipation, macroscopic symmetry-breaking can lag the initial zero-crossing by orders of magnitude, which providing a rigorous dynamical account of the delayed escape observed in grokking. Microscopically, the bifurcation creates a shared unstable subspace, forcing collective symmetry breaking. We term this the "feature lottery" in SAE training: a feature's terminal interpretability becomes predictable remarkably early. By only 5% of training, early atom purity robustly predicts final convergence purity, with top-decile early atoms achieving over 12x the baseline purity at convergence. Beyond explaining concept emergence, $\beta/\beta_c$ provides a practical early-warning indicator for training health, detecting the onset of usable structure, the crystallization of feature identity, and representational collapse epochs before downstream metrics react.
Authors: Yoshihiko Fujisawa, Yuma Ichikawa, Yudai Fujimoto, Akira Sakai, Katsuki Fujisawa
Abstract: On-device adaptation of large language models commonly keeps a quantized base model frozen while training and deploying a small, task-specific LoRA adapter. In the unmerged adapter-mode setting, however, the adapter is more than a compact storage module; it introduces an additional dense floating-point branch, maintains a trainable state for local updates, and acts as a unit of communication and hot-swapping.We introduce LoRDBA, a LoRA-compatible adapter that replaces both low-rank factors with binary sign carriers while representing magnitudes through lightweight, channel-wise scales, converting the dense adapter branch into two sign-accumulation matrix multiplications interleaved with channel-wise scaling. A finite-sample analysis shows that reconstruction quality is governed by the residual-to-magnitude ratio of the original LoRA factors. In adapter-mode experiments, LoRDBA outperforms low-bit baselines at matched model sizes while matching fp16 LoRA quality in selected regimes. The unmerged adapter incurs at most 8% prefill latency overhead at matched rank r=16 despite an over 10x reduction in adapter footprint, with moderate training memory overhead of approximately 1.6x that of fp16 LoRA.
Authors: Yongzhong Xu
Abstract: We present a three-step recipe for identifying attention-head circuits in pretrained transformers. A per-head spectral signal -- the time-integrated participation ratio of each head's attention output -- ranks heads doing sustained content-dependent computation without labels or attribution gradients. A task-pattern screen filters this general indicator into a task-specific candidate circuit, and group ablation against a matched-random control completes the causal claim. We validate across an 8x parameter range (51M to 1B-active / 7B-total), two architecture families (dense, mixture-of-experts), and four pretraining pipelines. The recipe ports: a 2-6 head induction circuit is causally necessary in every model tested, with a 94-100% drop in synthetic-induction top-1 after ablation. The spectral signal is predictive without supervision: on six independent seeds of a 51M-parameter probe model, the same computation identifies the seed-specific circuit on each seed. The fraction of heads doing identifiable specialized computation is conserved at 17-19% across the Pythia family (124M to 410M), while specific induction circuits stay 3-11 heads -- sublinear in total head count. This paper is the methodology anchor of a three-paper program; companion papers extend the recipe to developmental trajectories during pretraining and to composed-task circuits where pattern selectivity decouples from task-causal structure.
Authors: Koffka Khan
Abstract: Human-body communication (HBC) is a promising physical substrate for wearable body-area networks because it can localize communication around the body and reduce the burden of conventional radio links. Federated learning (FL) is a promising learning substrate because it can reduce raw-data centralization for physiological and behavioral sensing. Yet these two literatures remain weakly connected: FL for wearables usually abstracts the communication layer, whereas HBC research usually abstracts learning and model-update traffic. This article surveys the intersection of HBC, wireless body-area networks, wearable FL, Internet-of-Bodies privacy, and edge-intelligence optimization. We propose a taxonomy that distinguishes intra-body, body-hub, cross-user, and clinical-cloud FL deployments, and we identify the open problem of body-channel-aware FL: learning protocols whose client selection, update compression, and aggregation are controlled by posture-dependent HBC links, residual energy, sensor memory, and privacy risk. To make the research agenda concrete, we introduce BODYFED-HBC as a reference architecture and provide an optimization formulation and scheduling algorithm. We further specify a reproducible simulation vignette that combines public wearable datasets with empirical body-coupled-communication signal-loss models. The article concludes with open datasets, evaluation metrics, limitations, and research directions for computer scientists working above the hardware layer.
Authors: Jaejun Lee, Seheon Kim, Joyce Jiyoung Whang
Abstract: Hyper-relational knowledge graphs (HKGs) effectively represent complex facts. While inferring new knowledge in HKGs is a critical problem, current methods cast it as a simple link prediction, assuming that nearly all entities and relations within a fact are known, leaving only a single blank to be filled. However, this restricted assumption may not hold in real-world scenarios in which multiple, or even all, constituent components of a fact may be missing simultaneously. To bridge this gap, we introduce a task called fact generation: generating a valid hyper-relational fact from an arbitrarily masked query, i.e., completing a partially observed fact or generating a fact from scratch. We propose KREPE, the first generative representation learning method for HKGs that learns to model the probability distributions of missing components conditioned on the local fact components and global structure of HKGs via a masked discrete diffusion. KREPE models both the intra-fact dependencies by contextual message passing and inter-fact correlations by aggregating stochastically sampled contexts. KREPE seamlessly unifies link prediction and fact generation within a single training framework, achieving state-of-the-art performance on standard HKG link prediction benchmarks and outperforming LLM-based baselines in generating novel and correct facts.
Authors: Ajhesh Basnet
Abstract: Training a reinforcement learning agent on-policy means collecting fresh experience at every update, and that experience comes with a hidden problem. Each state in a rollout is the direct output of the previous one, causally chained together by the agent's own actions. Because of this, consecutive transitions are never truly independent. They carry overlapping information, and the gradient signal the network receives ends up far more repetitive than the batch size suggests. The same directions get reinforced over and over, the value network struggles to keep up as the policy shifts, and training becomes quietly unstable in ways that reward curves alone rarely reveal. This paper asks whether that redundancy can simply be removed. We show that randomly dropping a fixed fraction of transitions from the rollout, at the right stage so the reward signal stays intact, is enough to break the repetitive gradient structure and stabilize training. The change is minimal: one sampling step, no new components, no modification to the core algorithm, and it works with any PPO implementation. Across five environments of increasing difficulty, CartPole-v1, Acrobot-v1, LunarLander-v2, HalfCheetah-v5, and Hopper-v5, the method matches vanilla PPO on reward while producing more consistent training dynamics across KL divergence, policy entropy, and value estimates. Dropping 25% of transitions turns out to be the sweet spot: enough to disrupt the redundancy, not enough to thin the batch.
Authors: David Boetius, Shahaf Bassan, Guy Katz, Stefan Leue, Tobias Sutter
Abstract: Shapley additive explanations (SHAP) are widely recognised as computationally intractable for neural networks, since they induce an exponential search space over the input features. In this work, we take a first step towards scaling exact SHAP computation to larger search spaces by introducing an algorithm that leverages recent advances in neural network verification to compute arbitrarily tight exact lower and upper bounds on SHAP values for neural networks, ultimately recovering the exact SHAP values. We demonstrate that our approach scales to orders of magnitude larger search spaces than state-of-the-art exact methods. This provides an important first step towards exact SHAP computation and establishes a principled cornerstone for evaluating statistical approximation methods on larger search spaces.
Authors: Tewodros Syum Gebre, Jagrati Talreja, Matilda Anokye, Leila Hashemi-Beni
Abstract: Rapid and accurate flood extent mapping from Remote Sensing data, such as Synthetic Aperture Radar (SAR), is critical for operational disaster response, but standard Deep Learning models often produce physically impossible predictions due to a lack of hydrological constraints. While PhysicsInformed Neural Networks (PINNs) attempt to address this by embedding governing laws directly into the loss function, their application to real-world remote sensing data frequently fails. Enforcing rigid spatial derivatives (e.g., the 2D Shallow Water Equations) onto unconditioned latent spaces attempting to fit noisy SAR speckle causes catastrophic gradient divergence, a phenomenon we term Physics Shock. In this paper, we propose a novel Uncertainty-Aware PINN framework tailored specifically for applied Earth Observation that addresses this instability. By integrating a dynamic Warm-Start protocol and modeling heteroscedastic aleatoric uncertainty via a negative log-likelihood objective, the network learns to dynamically relax physical constraints in regions of high sensor noise while strictly enforcing them in high-confidence areas. Evaluated on the Sen1Floods11 dataset, our probabilistic Attention-Gated FNO-UNet successfully stabilizes multi-objective optimization, achieving a +25% relative improvement in Intersection over Union (IoU) compared to deterministic baselines. Furthermore, through Deep Ensembles, we successfully disentangle intrinsic sensor noise from out-of-distribution terrain ignorance, providing operational agencies with highly calibrated, physically consistent confidence bounds for robust disaster mitigation and real-time decision-making.
Authors: Willem Diepeveen, Deanna Needell
Abstract: Classical archetypal analysis is appealing for its interpretability, but its linear geometry can limit performance on data with strongly non-linear structure; at the same time, existing neural extensions improve flexibility while often weakening the geometric meaning of archetypes and interpolations. In this work, we develop a Riemannian version of archetypal analysis based on data-driven pullback geometry for real-valued data, with the goal of combining the interpretability of classical archetypal analysis with the expressive power of modern non-linear models. We introduce a class of deformed star distributions together with associated pullback Riemannian geometry to provide a statistical interpretation of the resulting manifold mappings, define the Riemannian archetypal mapping (RAM) as a projection onto the manifold of geodesically convex combinations of archetypes, and propose a practical optimization scheme based on convex relaxation followed by non-convex refinement. We further propose a learning scheme that yields reasonable, albeit generally suboptimal, deformed star distributions from data. Experiments on synthetic examples and MNIST show that the resulting framework produces meaningful geodesics, useful denoising projections, and geometry-aware classifications, while also clarifying where current optimization limitations remain.
Authors: Yuwei Xue, Sakib Mostafa, James Zou, Joseph Liao, Maximilian Diehn, Ash A. Alizadeh, Lei Xing, Md. Tauhidul Islam
Abstract: Biological systems are governed by structured molecular interactions, where pathways, regulatory circuits, and functional gene relationships shape cellular behavior and disease progression. Much of this knowledge is naturally represented as graphs. However, most biomedical AI models cannot directly use graph-encoded biological knowledge and instead require compressed low-dimensional representations, which can lose important structure and reduce performance, especially in limited-sample clinical studies. Here, we introduce Graph-in-Graph (GiG), a knowledge graph-modulated deep learning framework for data-efficient clinical prediction. GiG represents each patient as a standalone modular graph, in which curated biological knowledge graphs define edges and patient-specific measurements, such as gene expression, define node features. This design allows multiple biological knowledge graphs to be integrated while preserving gene-gene interactions and pathway topology during patient-level representation learning. Across cohorts comprising nearly 9,700 patients and five clinical tasks, including liquid biopsy cancer detection, prostate cancer diagnosis, and 32-class pan-cancer classification, GiG consistently outperforms traditional and state-of-the-art methods, with the largest gains in limited-sample settings. On the challenging prostate cancer diagnosis task, GiG improves macro-F1 by up to 49 percentage points relative to competing methods. Control experiments replacing real pathway graphs with random topologies confirm that these gains arise from biologically grounded knowledge graph structure rather than graph modeling alone. These findings show that knowledge graph-modulated deep learning can improve robustness, interpretability, and sample efficiency in clinical data analysis, and provide a principled framework for integrating biological knowledge graphs into predictive modeling.
Authors: Steffen J. Camarato, Yahya Hmaiti, Mandana Ghadamian, David Mohaisen
Abstract: Large language models are increasingly used for vulnerability detection, yet their reliability under different prompt formulations remains uncharacterized. We present PromptAudit, a controlled evaluation framework that isolates prompt effects by fixing the dataset, decoding, and parsing while varying only the prompting strategy. Using five prompting strategies across five open-weight models on 1,000 CVEs (6,074 code samples spanning 16 programming languages), we evaluate accuracy, recall, abstention, coverage, and effective F1. We find that standard chain-of-thought prompting achieves the strongest overall operational performance, while few-shot prompting provides model-dependent benefits that are most pronounced for prompt-sensitive models. In contrast, adaptive chain-of-thought frequently suppresses recall and self-consistency induces excessive abstention, sharply reducing effective performance. These results show that vulnerability detection behavior is jointly determined by the model and the prompt, and that prompt sensitivity is a first-class system property that must be explicitly characterized in evaluation and deployment.
Authors: Matthew Niedoba, Berend Zwartsenberg, Frank Wood
Abstract: The neural-network denoising functions which form the backbone of image diffusion models are remarkably consistent in their generalization behaviour across a wide variety of network architectures and training procedure hyperparameters. A recent line of research has sought to model the outputs of these networks by aggregating posterior weighted averages of training dataset patches. In this work, we consolidate these approaches into a unified model class which we call Filtered Posterior Mean Collections (FPMCs). We define this model class using query precision vectors, response weights, and source distributions, and illustrate that existing methods are recoverable with specific choices of these design axes. Investigating each axis in turn, we find that FPMC performance can be improved with soft relaxations of prior patch-based methods, and through augmentations of source distributions. Applying these findings to an existing FPMC, we demonstrate consistent sample improvement across three natural image datasets.
Authors: Robin Young
Abstract: What functions can Neural Processes represent? We analyze the representational capacity of popular NP architectures: Conditional Neural Processes (CNPs), Attentive Neural Processes (ANPs), Transformer Neural Processes (TNPs), and their latent variants. We prove these architectures form a strict hierarchy. CNP-representable functions are exactly those depending on finitely many expected features of the context distribution. ANPs strictly generalize CNPs via query-dependent reweighting, enabling kernel smoothers. ConvCNPs and ANPs are incomparable; each contains functions outside the other, separated by stationarity versus translation equivariance. TNPs with $L$ self-attention layers capture $L$-hop context interactions. For latent NPs, we show finite-dimensional latents provide coherent sampling but do not circumvent encoder limitations; matching GP posterior distributions requires latent dimension scaling with context size. These results provide a theoretical foundation for architecture selection based on task structure.
Authors: Nesreen K. Ahmed, Nima Nafisi
Abstract: Monitoring autonomous large language model (LLM) agents for covert malicious behavior is challenging due to delayed, context-dependent, and long-horizon attack patterns. Agents may pursue hidden objectives while maintaining superficially benign behavior, making detection difficult even with full trajectory access. Prior monitoring approaches improve scaffolding or ensemble aggregation, but treat each trajectory independently and do not learn from prior monitoring experience. Moreover, standard reasoning methods explain observed behavior without explicitly reasoning about agent beliefs, intentions, and goal alignment required to distinguish benign task execution from covert deviation. We propose \textbf{Agent-ToM}, a learning-to-monitor framework grounded in Theory-of-Mind (ToM) reasoning for security analysis of autonomous agents. Agent-ToM performs structured full-trajectory analysis by inferring beliefs, intent hypotheses with calibrated confidence, expected actions, and deviations from task-consistent behavioral baselines. At inference time, it employs a \textit{Reason-Verify-Refine} pipeline to construct and validate monitoring decisions. At training time, Agent-ToM distills critique signals into a persistent \textit{semantic guardrail memory}, enabling reusable belief- and intent-conditioned constraints across episodes. We evaluate Agent-ToM on adversarial agent monitoring benchmarks (SHADE-Arena and CUA-SHADE-Arena). Agent-ToM achieves strong precision-recall balance and outperforms state-of-the-art monitoring baselines, including ensemble methods, while using a coherent two-call reasoning pipeline. These results demonstrate that learning at the monitoring layer, combined with structured ToM reasoning and verification, provides an effective and deployable foundation for securing autonomous LLM agents.
Authors: Anisa Halimi, Liubov Nedoshivina, Kieran Fraser, Stefano Braghin
Abstract: The growing availability of clinical data has increased the use of machine learning, yet centralized data aggregation is often infeasible for sensitive health information. Federated Learning (FL) offers a distributed alternative, but its adoption is limited by substantial heterogeneity across institutional datasets, making harmonization a critical but frequently overlooked prerequisite for multi-site analytics. We introduce PrivFusion, a privacy-preserving multi-agent framework that automates the harmonization of structured datasets prior to federated training. PrivFusion uses agents to analyze local data, cluster semantically similar features across sites, and provide iterative transformation recommendations until alignment is achieved. Evaluation across four heterogeneous COVID-19 datasets demonstrates that PrivFusion effectively and efficiently harmonizes multi-site data while substantially reducing manual effort.
Authors: Chad Weatherly, Sen Lin
Abstract: Continual anomaly detection (CAD) addresses the need for industrial inspection systems to adapt to evolving production conditions, yet existing methods share three critical gaps: unrealistic evaluation, no systematic comparison, and no consideration of edge deployment constraints. We introduce a unified benchmark combining discrete-task evaluation on structural and logical anomalies, a novel continuous drift protocol, the first head-to-head comparison of all published CAD methods, and computational efficiency profiling on edge hardware. Our results reveal that existing CAD methods do not consistently outperform traditional approaches with simple experience replay. Thus motivated, we propose DINOSaur, a training-free method combining a frozen DINOv3 backbone with spatially-indexed coreset memory and neighborhood-restricted anomaly scoring. DINOSaur achieves zero forgetting by construction, outperforms all evaluated methods across all five protocols, and runs at sub-100\,ms inference on an NVIDIA Jetson Orin Nano, with on-device adaptation to new tasks in under 30 seconds.
Authors: Eric Pulick, Stephanie Carpenter, Matthew Buman, Yonatan Mintz
Abstract: A critical challenge facing clinicians managing chronic disease interventions is sustaining long-run patient health given limited information and resources. Digital therapeutics (DTs) provide a cost-effective way to manage interventions at scale through repeated interactions (e.g. daily treatment recommendations), but patient success is highly dependent on their adherence. Behavioral psychology suggests that both treatment recommendations and past adherence affect future adherence, yet existing decision support frameworks for DTs model only recommendation effects or treat adherence as exogenous context, leaving a key gap in model and algorithm development. To address this gap, we present a DT decision support framework that captures both recommendation and adherence effects, allowing clinicians to better plan treatment recommendations. We model a patient's time-varying capacity for engagement with treatment using a linear dynamical system (LDS) that captures both recommendation and adherence effects, endogenously connected to adherence behavior with a logit link. We establish finite-time identification guarantees for this model, extending LDS results to our setting. Next, we propose an optimism-based algorithm, UCB-BOLD, for online treatment selection and prove that it achieves sublinear regret. We evaluate UCB-BOLD against benchmarks via ablation studies on a synthetic patient cohort generated using micro-randomized trial data. DT decision support tools can include dynamical models to enable decision makers to efficiently use the data in DT settings to improve patient health through effective resource allocation. While myopic or heuristic approaches suffice for some patient types, the benefits of explicitly planning around recommendation and adherence effects are significant for others; UCB-BOLD achieves 2-3x lower conditional value-at-risk regret than the next-best benchmark.
Authors: Ali Siahkoohi, Anirudh Thatipelli
Abstract: Input-convex neural networks (ICNNs) are widely used for log-concave density estimation, convex-potential normalizing flows, optimal transport, and transport-map inversion for high-dimensional Bayesian posteriors. These tasks share a structural constraint: the inter-layer weights of the ICNN must remain non-negative. The standard recipe, projected gradient descent (PGD) onto the non-negative cone, applies a hard, non-smooth projection -- the stiff-penalty limit of an ADMM-style constraint splitting -- and its classical convergence guarantees do not transfer to the non-smooth ICNN training landscape; the differentiable alternative, softplus reparametrization, attenuates the gradient exponentially in the weight magnitude, stalling training with dead inter-layer weights and plateaued loss. Inspired by parameter-extension lifts of PDE-constrained inverse problems, we propose the lift: instead of constraining the inter-layer weights directly, we train an unconstrained hypernetwork that emits them from a permutation-invariant summary of the input batch. This adds stochasticity to the training dynamics that softens the loss landscape, letting the iterates escape the gradient-attenuated region where direct softplus stalls. We trace this softening to three structural ingredients -- a learnable bias acting as slack, a hypernetwork body that conditions on the target batch, and a cross-covariance coupling the two through batch stochasticity -- and prove each one necessary: deleting any single ingredient collapses the cross-covariance that carries the softening. On log-concave energy-based modeling from one-dimensional toy targets to image-flavored latents, and convex-potential normalizing flows on a 21-dimensional tabular benchmark, we show that the lift reaches a lower test loss than both PGD and direct softplus, and turns a plateau-bounded training trajectory into a valley-descending one.
Authors: Brandon Zhao, Yixuan Wang, Jonathan T. Barron, Katherine L. Bouman, Dor Verbin, Pratul P. Srinivasan
Abstract: We present an improved neural field architecture for solving partial differential equations (PDEs). Current physics-informed neural networks (PINNs) provide a flexible framework for solving PDEs, but they struggle to achieve highly accurate solutions and require computation that scales poorly with parameter count. Our model, which we call beignet (Bandlimited Embedding with Interpolated Grid Network), replaces the random Fourier feature embedding used by existing PINN models with a trainable multi-resolution Fourier feature pyramid. To query beignet at a continuous coordinate, we use Fourier interpolation at each level of the pyramid to return features at the input coordinate, and then decode this vector with a fully-connected neural network trunk. Our model provides multiple benefits: 1) Spatial derivatives can be computed efficiently by using the chain rule to compose derivatives of the neural network computed with automatic differentiation with derivatives of the feature grid computed spectrally by the Fast Fourier transform (FFT). 2) beignet can achieve higher accuracy in a compute-efficient manner by scaling the parameter count of this Fourier feature pyramid, instead of the less-efficient strategy of scaling the neural network architecture. 3) beignet can directly control the representation bandlimit, resulting in more stable optimization for difficult PDEs. We demonstrate that beignet finds significantly more accurate solutions on PDE benchmarks using fewer parameters than state-of-the-art PINN methods. We further evaluate beignet on the self-similar inviscid Burgers blowup problem and show that it can minimize residuals to near machine precision using Adam, an accuracy regime previously attained only by using computationally expensive higher-order optimizers.
Authors: Jinghan Jia, Joe Benton, Eric Easley
Abstract: Chain-of-thought (CoT) reasoning is useful for monitoring language models only when the reasoning trace faithfully reflects the computation that produces the final answer. However, models can rely on prompt-to-answer shortcuts that bypass the CoT, making the visible reasoning trace misleading even when it appears plausible. We study CoT faithfulness through a structural information-flow perspective: faithful reasoning should route answer-relevant information through the mediated path from prompt to CoT to answer, rather than through a direct prompt-to-answer shortcut. This perspective yields a task-agnostic framework based on three complementary properties, sufficiency, completeness, and necessity, which we instantiate with entropy-based, masked-KL, and gradient-based diagnostics. We show that these metrics recover externally judged faithfulness differences in hinted reasoning, and identify a low-entropy failure mode of KL-based diagnostics where gradient-based measures remain more stable. Building on this analysis, we introduce update-time interventions for verifier-based on-policy RL, including attention masking, backward-only gradient masking, CoT gradients, and adversarial perturbations of prompt representations. Across hinted arithmetic, reward-hackable code repair, and DAPO-Math models trained without hints but evaluated under wrong-hint injection, our interventions shift behavioral and structural indicators toward stronger CoT mediation. In particular, they make shortcut and reward-hacking behavior more transparent in the CoT and improve task-agnostic faithfulness metrics, while in some settings also reducing wrong-hint susceptibility. Our results suggest that controlling information flow during training is a practical route toward more faithful and monitorable CoT reasoning. Code is available at https://github.com/safety-research/faithful-cot.
Authors: Arseny Ivanov, Sergei Kholkin, Vladislav Gromadskii, Grigoriy Ksenofontov, Ivan Oseledets, Alexander Korotin
Abstract: Log-likelihood is a standard metric for evaluating generative models. Unfortunately, in contrast to autoregressive models (ARMs), discrete diffusion models generally do not admit exact computation of this quantity. Existing evaluations, therefore, rely on the evidence lower bound (ELBO), leaving unclear how much higher the true value may be. We address this by introducing the Tangent Upper Bound on Evidence (TUBE), a variational upper bound on log-likelihood that admits an unbiased Monte Carlo estimator. Our TUBE extends across latent-variable models, including masked diffusion models (MDMs), any-order ARMs (AO-ARMs), and block variants of both. Applied to block MDMs and block AO-ARMs, TUBE reveals our key empirical finding that these models lie strictly below the exact ARM baseline, showing that ARMs still dominate in likelihood.
Authors: Cecilia Ferrando, Miguel Fuentes, Brett Mullins, Cameron Musco, Daniel Sheldon
Abstract: We propose PACE-GGM, a data-adaptive differentially private method for covariance estimation that concentrates its privacy budget on the most informative entries of the empirical covariance matrix, rather than perturbing all entries. This applies in the natural setting where the modeler supplies separate bounds for each variable, so that individual entries can be measured with less noise than the full matrix. In each round, our method selects a poorly approximated entry, measures it using the Gaussian mechanism, and then reconstructs a full covariance matrix using a maximum-entropy reconstruction objective, leading to a Gaussian graphical model structure. Experiments on diverse real-world datasets demonstrate consistent improvements in estimation error with respect to the Gaussian mechanism and other baselines, particularly in high-dimensional and low-to-moderate privacy regimes.
Authors: M. Moran, Mark Whiting
Abstract: Confidence-weighted routing, selective abstention, and ensemble weighting all assume that a model's stated confidence is informative about its capability on the question being asked. They presume functional metacognition, the capacity to assess one's own capabilities, without exercising them. Aggregate calibration is well studied, with mixed results, but the underlying structure of elicited confidence is less well understood. We decompose binary confidence judgements from 20 frontier Large Language Models (LLMs) across six benchmarks using tetrachoric factor analysis paired with pairwise calibration, asking whether two models that differ in confidence also differ in performance. On factual recall and information retrieval benchmarks the cross-model confidence matrix is approximately rank-one and a single dominant factor captures most of the latent variance. Models retrieving facts share an item-level difficulty axis and differ mainly in their decision thresholds along it. Across all benchmarks the relationship between confidence and performance collapses once items that all models agree on are removed. Inter-model pairwise calibration is small even where statistically significant, and what remains shrinks to nothing once base-rate differences along the shared factor are controlled for. Mathematical reasoning is the apparent exception, but this turns out to be a confound where reasoning models answer questions about their confidence by trying to solve them in their chain of thought, bypassing the sub-symbolic self-knowledge we seek to measure. We find no evidence for significant verbalised individuated metacognition in any tested domain.
Authors: Noel Thomas
Abstract: Standard accuracy on binary reasoning benchmarks hides critical failure modes: prior collapse, inconsistency under paraphrase, and inability to reason about parameter-dependent dynamics. We present ChaosBench-Logic v2, a 40,886-question benchmark over 165 dynamical systems with 27 FOL predicates and 78 axiom edges, together with CARE (Calibration- and Adversarial-Robust Evaluation), a protocol that surfaces these pathologies. Evaluating 14 models, we find that regime-transition reasoning remains near random (MCC = 0.05) even for frontier models, whereas FOL deduction with given premises reaches MCC = 0.52. Per-family decomposition shows that the proprietary-model advantage concentrates on cross-indicator (+0.40) and consistency tasks, while open-source Qwen 2.5-32B dominates indicator diagnostics (0.91 vs. 0.45). Two models exhibit negative MCC on bifurcation questions, confirmed as systematic anti-correlation via confusion-matrix analysis.
Authors: Ziyan Chen, Ding-Xuan Zhou
Abstract: Scaling laws provide compact descriptions of how prediction error varies with compute, model size, and data, but existing theory mainly treats single-sample SGD or full data reuse, leaving the role of mini-batching unclear. We study batch scaling laws for sketched linear regression under a power-law covariance spectrum and a source condition on the target parameter. We analyze one-pass batch SGD, multi-pass batch SGD with replacement, and multi-pass batch SGD without replacement. Our first result is a risk decomposition: all three procedures share the same irreducible and approximation terms, while their stochastic terms depend on the sampling protocol. One-pass batch SGD splits into bias and variance, whereas the two multi-pass methods split into GD bias, GD variance, and a fluctuation term around a common GD reference trajectory. We then prove source-condition scaling laws for one-pass and multi-pass mini-batch methods. For one-pass batch SGD, mini-batching preserves the approximation and optimization-bias exponents, while the variance scales as $O(\min(M,(T_{\mathrm{eff}}\gamma)^{1/a})/(B T_{\mathrm{eff}}))$. Thus the usual $1/B$ covariance reduction holds at fixed update count $T$, but in the one-pass regime $T=N/B$ it is partly offset by the shorter optimization horizon. For multi-pass batch SGD, with- and without-replacement sampling have identical approximation and GD bias/variance terms; they differ only in the fluctuation covariance prefactor, which is $1/B$ with replacement and $\rho_{N,B}=(N-B)/(B(N-1))$ without replacement. Hence without-replacement sampling is less noisy for $B>1$, and when $B=N$ the fluctuation vanishes, recovering deterministic gradient descent. These results place batch size on the same theoretical footing as compute, data, and model dimension in sketched linear regression.
Authors: David Wingate, Sheryl Carty, Joshua Coates, Daniel Feldman, Nancy Fulda, Larry Howell, Brett Israelson, Dallin Jacobs, Jonathan Karr, John Paul Kimes, Elisabeth Kincaid, Paul Martens, Gavin Mobley, Suzana Pinheiro, Lindsay Slemboski, Peter Whiting
Abstract: As large language models become a default source of guidance on personal, moral, and existential questions, it matters whether they draw on the religious frameworks that have historically shaped such reasoning, or systematically omit them. In this paper, we ask a deliberately narrow question: when posed an everyday ethical question for which religious perspectives may be valuable, do LLMs invoke religion at all? In contrast to benchmarks that look for the presence of political leanings or social bias, we look for the absence of religious representation as a dimension of value alignment and bias in LLMs. We term this ``omissive bias.'' To measure omissive bias, we contribute the AllFaith Religious Representation Benchmark: 150 ethically and personally salient questions, sourced from in-the-wild chat transcripts and faith-community contributors, paired with an LLM-as-judge rubric that gives full credit for any mention of a religion, a religious practice, or a religious leader. The questions are not themselves about religion--they are open-ended questions about grief, forgiveness, relationships, purpose, and honesty, where religion is one valuable perspective among several. We also run a human-subjects survey to compare LLM behavior against human expectations. Evaluating 27 models, we find that LLMs consistently underrepresent religion relative to human expectations. The omission is asymmetric: models invoke religion more readily for abstract existential questions (meaning, death, truth) than for the practical personal situations--grief, marriage, family conflict, addiction--where many people most rely on it. It is not our purpose to adjudicate which values LLMs should hold. We argue, more modestly, that current LLM responses overlook critical opportunities to reflect religious frameworks that many people draw on when navigating personal and ethical challenges.
Authors: Naoki Kiyohara, Harrison Bo Hua Zhu, Riccardo El Hassanin, Zhuo Sun, Wenlong Chen, Samir Bhatt, Yingzhen Li
Abstract: Transformers and deep state space models (SSMs) sit at opposite ends of a basic design choice: attention routes each query through a growing key-value (KV) cache by content-based matching at quadratic cost, while deep SSMs compress context into a fixed-size recurrent state that is not directly addressed by query-key matching. We propose Interdomain Attention, which integrates an SSM into an attention module through kernel methods: an attention kernel is approximated by a finite feature map, the resulting key features and values are projected onto a shared set of basis functions maintained by a single SSM recurrence, and each query attends to the compressed coefficients through its own feature map, recovering query-conditioned attention over a fixed-size state. The scalable layer is a learned relaxation of this derivation, and we validate its components through ablations. In a 125M to 1.3B autoregressive language-modeling study on FineWeb-Edu at matched recurrent-state budget, Interdomain Attention improves on an SSM token mixer at every scale, surpasses a same-recipe softmax baseline at 1.3B on validation perplexity and on the eight-task commonsense suite, and inherits the length-flat behavior of its fixed-state core out to 3.5x the training context. Ablations indicate that the query-conditioned projection is the main source of the gain.
Authors: Ke Sun, Yizhou Zhao, Jiayi Xin, Qi Long, Weijie Su
Abstract: Context or prompt-level reweighting has emerged as a central algorithmic lever in Reinforcement Learning with Verified Rewards (RLVR) for improving the reasoning capability of large language models, yet the principle determining what constitutes an optimal weighting remains poorly understood. We address this gap by formulating prompt reweighting as a functional derivative of a utility functional defined in the pass-rate function space, yielding a unified optimality framework that accommodates existing schemes, including REINFORCE and GRPO. Building on this optimality framework, we propose a distribution-aware prompt reweighting approach, called CurveRL, based on a quantile coordinate transform, in which the weight assigned to each prompt depends not on the absolute value of pass rates but on its rank and density to reflect the distributional structure of the pass rates in the learning dynamics. Extensive experiments across multiple benchmarks demonstrate that our proposed CurveRL consistently outperforms GRPO and other RLVR baselines. Our study identifies context-distribution control as a principled axis for analyzing and designing prompt-reweighted RLVR algorithms. The code is released in https://github.com/zhyzmath/CurveRL.
Authors: Rowan Martnishn
Abstract: Production deep learning systems across enterprise domains operate under constraints that academic benchmarks routinely obscure: labeled data is expensive, inference budgets are tight, and models that cannot explain their behavior are difficult to trust and maintain. We present ChainzRule (CR), a neural architecture replacing typical activations with learnable polynomial layers governed by Differential Regularization (DREG), a layer-wise Jacobian penalty computed analytically during the forward pass at standard inference cost. The core claim is that bounding intermediate derivatives forces the network toward low-frequency, structurally stable representations, simultaneously reducing dependence on labeled data volume, improving robustness to distribution shift, and providing a measurable, gradient-based handle on model behavior. Evaluated across five domains, CR achieves $85.71\% \pm 2.01\%$ on Pima Diabetes (statistically superior to SVM and XGBoost), $46.20\% \pm 0.37\%$ on SST-5 sentiment classification with a frozen encoder (superior to RNTN using approximately 5\% of its training data), $55.79\%$ on SST-5 with a fine-tuned BERT backbone (versus BERT-base linear head at $54.9\%$), $70.17\%$ on Yelp Full ordinal regression with 3.2M parameters versus a 10-model average of $66.35\%$, and $+2.32\%$ mean corruption accuracy on CIFAR-10-C. All results with reported $p$-values fall below the $\alpha = 0.05$ threshold after Bonferroni correction. CR maintains a gradient tail ratio $\tau$ (p99/mean) of $1.01$--$1.02$ against $1.07$--$1.09$ for all typical activation function baselines across every data fraction, a structural invariant we propose as the mechanistic driver of sample efficiency and a deployment-time proxy for model reliability.
Authors: Meichen Song, Yuhao Wang, Enlu Zhou
Abstract: In online reinforcement learning, data scarcity creates epistemic uncertainty that makes robustness important early in learning, whereas sufficient exploration is needed to learn the true-environment optimal policy. We study this time-varying robustness--exploration trade-off through a quantile Bayesian risk-aware Markov decision process (BR-MDP), in which the quantile level controls how posterior uncertainty enters the Bellman backup. We characterize this control through an asymptotic normality result for the difference between the quantile BR-MDP value and the value in the true environment. The result implies that upper/lower-tail quantiles induce optimism/pessimism towards epistemic uncertainty, and the magnitude of the optimism/pessimism decreases as data accumulate. Building on this characterization, we propose an online Bayesian risk-aware algorithm with an adaptive quantile schedule that emphasizes robustness early and gradually encourages exploration of less-visited state--action pairs. We establish sublinear Bayesian regret bounds with respect to both the true optimal value and the optimal BR-MDP robust value. Numerical experiments demonstrate strong performance in both exploration-demanding and exploration-costly environments.
Authors: Safwan Labbi, Paul Mangold, Daniil Tiapkin, Eric Moulines
Abstract: In this paper, we study the role of the critic in actor--critic for entropy-regularized, finite, discounted environments. We establish that, when the critic is exact, using the latter as a baseline is a variance-reduction method in a strong sense. In this case, actor--critic with stochastic gradients matches the sample complexity of deterministic policy gradient, reaching an $\epsilon$-optimal regularized value with $\tilde{O}(\log(1/\epsilon))$ samples. In practice, the critic is learned alongside the actor: the variance of the actor update is then influenced by the critic's variance and bias. Specifically, when the critic has a sufficiently small error, the variance reduction and rapid convergence are preserved. This suggests to learn the critic first, keeping it up to date after each actor update, underscoring the crucial role of accurate critic estimation in actor--critic methods.
Authors: Xiaofeng Lin, Han Bao, Hisashi Kashima
Abstract: Estimating individual treatment effect (ITE) from observational graph data is crucial for decision-making in the fields such as commerce and medicine. This task is challenging due to interference, where individual outcomes can be influenced by the treatments and covariates of their neighbors. Existing methods attempt to model such interference for accurate ITE estimation. However, a critical issue is often overlooked: differentiated networked effect (DNE), an effect caused by local networks consisting of neighbors with varying importance and scales. Capturing DNE is vital; otherwise, we will end up with imprecise ITE estimation due to an erroneous characterization of interference, which can result in misguided decisions. To address this challenge, we propose a novel interference modeling mechanism that incorporates two partial attention mechanisms and a message amplifier. The partial attention mechanisms automatically estimate the importance of different neighbors in contributing to interference, while the message amplifier adjusts the results of the interference modeling mechanism based on the scale of neighbors, all of which enables the model to capture DNE. Experiments on three real-world graphs demonstrate that our methods outperform existing approaches for ITE estimation from graph data, which corroborates the importance of explicitly capturing DNE.
Authors: Yiran Ding, Yuen Gao, Chunqi Qian, Zijun Cui
Abstract: Behavioral phenotyping of genetic animal models currently requires labor-intensive manual feature engineering that limits reproducibility and scalability. We present GEESE, an end-to-end deep learning framework that learns behavioral representations directly from 3D pose dynamics without hand-crafted features. Using a pretrained time series foundation model, we encode movement sequences into a behavioral manifold that supports both behavior classification and genotype prediction. Evaluated across three autism-associated genetic models (CNTNAP2, CHD8, FMR1), our deep learning approach surpasses hand-crafted feature baselines in both tasks, revealing that learned representations capture genotype-specific behavioral signatures. The framework generalizes across genetic backgrounds, and an all-cohort model identifies both genetic background and genotype from movement patterns alone. We further provide HONK, an interactive intelligent tool enabling researchers without programming expertise to perform behavioral phenotyping from pose data through natural language interaction.
Authors: Kavin Soni, Debanshu Das, Vamshi Guduguntla
Abstract: Time series forecasting drives operational decisions in areas like finance, transportation, and energy. While supervised learning approaches achieve strong performance, they require domain-specific training, feature engineering, and ongoing maintenance. Large-scale foundation models have recently emerged as a zero-shot alternative, avoiding task-specific training much like LLMs. In this work, we evaluate foundation models against standard supervised approaches. Rather than focusing solely on aggregate accuracy, we analyze performance across four operational regimes: periodic human-centric systems, physically constrained processes, stochastic financial markets, and heterogeneous demand forecasting. Our results characterize optimal deployment areas. Foundation models perform well in domains with transferable periodic structures and are efficient for cold-start or long-tail scenarios. Conversely, supervised specialists maintain higher precision in systems governed by strict physical constraints. In financial domains, newer foundation models are rapidly closing the performance gap with supervised specialists. We further quantify trade-offs in inference latency, data drift adaptability, and deployment constraints. Finally, we propose a Complexity Router that assigns each series to the optimal model class using empirical features. We demonstrate that this selective routing achieves higher accuracy and significantly lower inference costs compared to deploying a universal foundation model, providing a practical framework for balancing generalization and efficiency.
Authors: Zherui Yang, Tao Du, Ligang Liu
Abstract: The eigendecomposition of the Laplace--Beltrami Operator (LBO) is fundamental to geometric analysis, yet computing its low-frequency eigenmodes remains a significant bottleneck due to the high cost of iterative solvers on large-scale data. To amortize this cost, we introduce the Neural Eigenspace Operator (NEO), a feed-forward framework designed to predict the spectrum directly from point clouds. Crucially, NEO circumvents the ill-posed nature of standard eigenvector regression, which suffers from intrinsic sign flips and rotation ambiguities, by learning the stable, invariant low-frequency subspace instead. Specifically, the network predicts a redundant set of basis functions whose span robustly covers the target eigenspace, allowing for the recovery of accurate eigenpairs via a lightweight Rayleigh--Ritz refinement. To handle irregular sampling, we propose a mass-aware neural operator that incorporates per-point area weights into attention-based aggregation, improving robustness to non-uniform densities and enabling zero-shot generalization across resolutions. Our approach achieves near-linear runtime scaling and substantial wall-clock speedups over iterative solvers at comparable accuracy, and exhibits strong zero-shot transfer to high-resolution point clouds. The resulting eigenpairs support standard spectral geometry tasks, while the raw basis functions provide effective point-wise features for downstream learning. Code: https://github.com/Adversarr/NEO.
Authors: Qi Yu, Ruizhong Qiu, Zhichen Zeng, My T. Thai, Huan Liu, Hanghang Tong
Abstract: Alignment plays a fundamental role in many machine learning problems, such as multi-network analysis, multimodal learning, and point cloud registration. Recent works increasingly leverage optimal transport (OT) for distributional alignment, whose effectiveness largely depends on sparse supervision that is hard or costly to obtain in practice. Existing works, however, largely overlook how to actively acquire high-quality supervision to improve their alignment performance under OT frameworks. In this paper, we propose a principled active alignment framework for optimal transport alignment called AvAtar. We quantify the informativeness of a candidate by measuring its gradient-based impact on the global alignment result, computed as the gradient propagation from the global alignment result to all possible supervisions of the candidate through the entropy-regularized OT formulation. While differentiating through OT is challenging given its constrained nature, we leverage the adjoint-state method to reformulate the computation to a linear system solvable by the conjugate gradient method with linear complexity and guaranteed convergence. By encoding the global alignment result via effective utility functions, AvAtar is applicable to general alignment problems under the OT framework. Extensive experiments on three representative alignment tasks demonstrate the effectiveness, scalability, and generalizability of the proposed AvAtar.
Authors: Aysin Tumay, Jiahe Huang, Elise Jortberg, Rose Yu
Abstract: We study sequential decision-making with offline reinforcement learning (RL). Traditional offline RL policies may result in out-of-distribution (OOD) actions when training relies only on sparse offline representations. To ensure safe offline policies in a sparse state-action space, we explore how density estimation models can be integrated into model-based RL methods to avoid the OOD regions. Generative models are capable of explicitly modeling the density in sparse state-action spaces. Building on this, we introduce Generative OOD-regularized Model-based Policy Optimization (GORMPO), a density-regularized offline RL algorithm that uses generative density modeling to restrict policy updates to high-density areas of the dataset. Furthermore, we examine whether better OOD detection corresponds to better model-based offline policies. We compare (1) the OOD detection capabilities of various density estimators and (2) their performance within the GORMPO framework on a real-world medical dataset and sparse offline RL datasets. We theoretically guarantee GORMPO's performance under mild assumptions. Empirically, GORMPO outperforms state-of-the-art baselines by 17% on a real-world medical dataset and enhances the base model on the offline RL datasets. Our empirical findings show that better OOD detection generally results in improved policies in environments with stable dynamics, while conservative penalties with poor density estimation are favored when dynamics are uncertain.
Authors: Erfan Haghighat Damavandi, Davide Papurello, Mahdi Alibeigi, Armin Keshavarz, Simone Canevarolo, Marco Condo
Abstract: Optimizing HVAC (Heating, Ventilation and Air Conditioning) can enhance a building's energy efficiency while providing comfort levels for its occupants. Using conventional control systems to maintain HVAC functions is often difficult because of the nonlinear characteristics of a building envelope as it experiences stochastic load variations over time. This paper presents a new approach to optimizing HVAC systems through the use of Deep Reinforcement Learning (DRL) algorithms and the Proximal Policy Optimization (PPO) algorithm implemented in a custom Python performance environment. The DRL system uses a second order resistor-capacitor thermal model and an integrated dynamic mass balance of CO2 to replicate the complex physics associated with buildings. One major innovation of this study is a "Hierarchical Flow Logic," which provides the means to ensure that indoor air quality (IAQ) is maintained by overriding the accepted actions of the agent that cause CO2 to exceed 1000 ppm. In addition, an enthalpy-based economiser is used to create free cooling from the outdoor environment. The experimental data shows that compared to PID controllers tuned by GA or traditional On-Off controls, a PPO agent has better temperature stability and energy efficiency overall. An end-to-end pipeline provides an avenue for robust and generalized solutions to help implement smart building energy management within the context of real hardware implementation.
Authors: Yisak Debele, Henok Ademtew, Israel Goytom
Abstract: Human cognitive performance is constrained by limited mental resources, yet continuous computational estimation of cognitive capacity dynamics remains an open challenge. We propose a theory-driven multimodal learning framework that models capacity-related cognitive state as a two-dimensional physiological representation defined by voluntary resource allocation (mental effort) and overload-related strain (stress). The proposed architecture combines dual-stream encoding of cardiac (IBI/HRV) and electrodermal (EDA) signals with late fusion and task-specific output heads that independently estimate probabilistic effort and stress states. Evaluation on the SWELL-KW dataset using strict leave-one-subject-out cross-validation demonstrates cross-individual generalization (stress: 70.0\% balanced accuracy; effort: 72.2\%), with significant gains from multimodal integration and theory-guided supervision. Rather than collapsing physiological dynamics into a single workload label, the proposed effort--stress state-space enables structured differentiation between distinct cognitive regimes, including productive engagement and overload-related strain. Predicted state trajectories exhibit significant demand-sensitive shifts under controlled workload manipulations, with effort and stress responding differentially across interruption and time-pressure conditions. These results suggest that physiologically grounded multidimensional state representations may provide a foundation for adaptive systems capable of continuous capacity-aware monitoring and human-centered interaction.
Authors: Daria Grushina, Kseniia Kuvshinova, Alina Kostromina, Aziz Temirkhanov, Mile Mitrovic, Dmitry Simakov
Abstract: Supervised classification for tabular data remains a core machine learning task, yet its reliance on large labeled datasets limits applicability in data-scarce domains. For such few-shot scenarios, specialized methods like TabPFN - a state-of-the-art Prior-Data Fitted Network - have set a high standard by leveraging large-scale synthetic pretraining, though they still require a context of labeled examples to function. In contrast, Large Language Models (LLMs) could offer a more flexible alternative via zero- and few-shot in-context learning directly from task descriptions, but their performance on tabular data remains inconsistent and poorly understood. We introduce LLMTabBench, a benchmark designed to systematically evaluate LLMs for tabular classification under data-scarce conditions. LLMTabBench explicitly probes (i) how LLM prior knowledge interacts with in-context information (task descriptions and few-shot examples), and (ii) how model performance scales with increasing data complexity, using both real-world and controlled synthetic datasets. Our findings include: (1) LLMs are highly competitive in zero-shot settings and can outperform alternative models, even when those models have access to few-shot examples; (2) incorporating additional few-shot examples can conflict with LLM prior knowledge, limiting or even degrading performance; and (3) there is a data complexity threshold beyond which LLMs' performance declines and few-shot examples become less effective. Together, these findings reveal fundamental constraints of in-context learning for tabular data and provide practical guidance for deploying LLMs in low-data regimes.
Authors: Karan Sharma, Aditya Tripathi, Rahul Mishra, Tapas Kumar Maiti
Abstract: Federated learning is used in medical imaging where privacy prohibits centralizing data. Standard federated algorithms assume homogeneous hardware, identical architectures, and centralized aggregation, which fails when hospitals have unequal compute resources. We propose capacity-aware coordination: measure each hospital's throughput, assign capacity-appropriate architectures (MobileNetV3-Small, EfficientNet-B0, ResNet-50), and combine predictions via weighted ensemble. Weak and strong hospitals can participate without forcing uniform architectures. We separate on-chain policy from off-chain learning. A Solidity contract stores hospital registration, benchmark hashes, metrics, and weights. Hospitals train locally and submit only hashes and scalars (not parameters). Weighted ensemble inference is computed off-chain. Experiments on PneumoniaMNIST and DermaMNIST (5 seeds, 3 non-IID levels) show our method achieves lower or equal calibration error versus equal-weight ensemble and competitive accuracy versus FedAvg, FedProx, and FedMD. Communication overhead is 224 bytes per round, a reduction of over 912,000x compared to FedAvg.
Authors: Ngoc Phu Doan, Chongyan Gu, Ihsen Alouani
Abstract: Batch Normalization (BN) is widely adopted to enable faster convergence and more stable training of deep neural networks. However, its impact on privacy and memorization has remained largely unexplored. In this work, we investigate the effect of BN layers on the memorization of atypical or outlier samples and its implications for privacy leakage. We conduct an extensive empirical study using three complementary approaches: (i) unintended memorization of out-of-distribution training samples, (ii) per-sample influence measured via gradient norms, and (iii) susceptibility to membership inference attacks (MIA). Across multiple datasets and architectures, we consistently observe that BN substantially increases the memorization of outliers compared to models without BN. Critically, this amplified memorization translates directly into privacy vulnerabilities: models with BN exhibit significantly higher susceptibility to MIAs. We complement our empirical findings with a theoretical analysis showing that BN amplifies the per-step influence of outlier samples during training, providing mechanistic insight into this phenomenon. Our results highlight an underappreciated privacy risk associated with BN and provide both practical and theoretical insights into how normalization layers can amplify the influence of rare or sensitive training examples.
Authors: Jingchu Gai, Nai-Chieh Huang, Jiayun Wu
Abstract: The residual update of a pre-norm Transformer layer admits an interpretation as one step of a first-order optimizer acting on a surrogate token energy, wherein the attention and MLP sublayers function as gradient oracles. Based on this observation, we build a family of optimizer-inspired Transformers (triple-momentum, Adam/AdamW, Muon, SOAP) and compare them under matched compute. In our main pretraining experiment, the triple-momentum TMMFormer achieves the lowest validation loss, outperforming the vanilla Transformer and prior architectural variants. A controlled ablation and supporting theory show that momentum, not preconditioning, is the main source of the gain. We further show that TMMFormer and other momentum-based designs reach flatter minima than the vanilla Transformer, which leads to less forgetting and better generalization.
Authors: Jiahai Huang, Anjie Qiao, Zhen Wang, Defu Lian, Yutong Lu
Abstract: Stochastic process-based molecular graph generators have become the state of the art for template-free single-step retrosynthesis. However, these models are typically trained only on product-reactant pairs, thereby acquiring chemistry-relevant representations in an indirect and implicit manner. Meanwhile, recent advances in computer vision demonstrate that offering representation guidance to a generator can effectively distill semantics from pretrained encoders into DiTs, substantially improving both convergence and generation quality. Whether similar gains extend to the retrosynthesis task, and what graph-specific design choices can make them work, remains an open question. To address these questions, we conduct a systematic empirical study over a unified design space spanning teacher molecular representations, endpoint and granularity choices, injection depths in the denoiser, correspondence strategies and guidance scheme. Guided by these considerations, we develop Graph-oriented Representation Guidance (GRG), which achieves 58.6 / 77.2 / 83.4 / 87.1 top-1 / 3 / 5 / 10 accuracy on USPTO-50k, while increasing diversity to 15.5, both substantially outperforming the adopted base generator. Notably, GRG consistently improves all top-k metrics in out-of-distribution settings, suggesting that representation guidance facilitates the acquisition of intrinsic chemical semantics. Meanwhile, the introduced representation guidance reduces the number of epochs by 35% and the wall-clock time by 30% to reach comparable performance. In addition, we introduce a simple yet effective representation-similarity-based reranking mechanism, which further improves the top of the ranked list without training an additional verifier.
Authors: Yang Zhao, Jungeun Lee, Jeong hwan Jeon, Sze Zheng Yong
Abstract: We present a novel framework for embedding hard constraint satisfaction into neural network (NN) architectures, specifically feedforward neural networks and transformers, with input-dependent affine constraints of arbitrary cardinality. Traditional constraint enforcement approaches either rely on penalty-based soft constraints, which offer no guarantee of satisfaction, or on post-processing methods that enforce constraints after the NN is trained, which may lead to suboptimality. We introduce a trainable constraint-affine (CAffine) layer into NNs, yielding CAffNet, which goes beyond enforcing affine constraints via fixed orthogonal or parallel projections and enables joint optimization with network parameters. Moreover, we impose no restrictions on the constraint space dimensions and establish that our construction preserves the universal approximation properties of NNs, while providing provable guarantees on constraint adherence for all inputs. Experimental validation demonstrates robust performance across diverse domains requiring guaranteed constraint satisfaction.
Authors: Imesh Ekanayake, Elham Naghizade, Jeffrey Chan
Abstract: The integration of fairness and privacy in centralized data-driven applications is critical, especially as these systems increasingly influence sectors with significant societal impact. Current methods rarely address privacy, fairness, and accuracy together, which can potentially compromise ethical standards and privacy regulations. However, balancing these three objectives is quite challenging since each of objective often imposes conflicting requirements on the design and training of models, making it difficult to optimize one without compromising the others. This paper introduces a novel multitask adversarial model that treats fairness and privacy as integral objectives rather than afterthoughts, and learns a latent representation that hides sensitive attributes while preserving essential task-related information. Our approach dynamically balances fairness with accuracy and privacy through an optimized cost function with minimal performance loss even under strict conditions. Extensive testing on diverse datasets shows the ability of our model to achieve high standards of fairness and privacy without significant sacrifice to accuracy. Benchmarking against state-of-the-art privacy and fairness standards shows that our method enhances the robustness of privacy, fairness, and accuracy optimization, proving its adaptability across various datasets.
Authors: Trenton Lau, Gary P. T. Choi
Abstract: The Normalized Maximum Likelihood (NML) codelength, or stochastic complexity, represents a principled criterion for universal coding. While recent coarea-based formulations provided a calculation method for smooth models, this framework collapses for the non-smooth estimators ubiquitous in modern machine learning (e.g., Lasso, Sparse SVMs). In this work, we provide a rigorous framework for computing the NML for regular path-differentiable Lipschitz (PDL) estimators. By applying classical geometric measure theory and bridging the coarea formula with conservative Jacobians, we prove that the stochastic complexity for non-smooth models is well-posed and theoretically consistent with the outputs of modern Automatic Differentiation. To compute this quantity exactly, we introduce the Propose-and-Project Metropolis-Hastings (PDL-PPMH) sampler, a geometric MCMC algorithm capable of traversing the non-differentiable level sets of the maximum likelihood estimator. We theoretically justify its components, including a stochastic tangent space proposal and a provably convergent non-smooth projection solver. We demonstrate the method's robustness by sampling from a high-dimensional Lasso posterior ($P=2000$), while simultaneously quantifying the computational scaling that governs the trade-off between exactness and mixing time. Crucially, we empirically demonstrate that our exact NML criterion provides a highly data-efficient alternative to cross-validation, achieving statistically indistinguishable predictive optima without requiring data splitting. Altogether, our work paves the way for the theoretical analysis of the NML codelength for regular non-smooth models.
Authors: Zhuanghua Liu, Luo Luo
Abstract: This paper considers the nonconvex nonsmooth problem in which the objective function is Lipschitz continuous. We focus on the stochastic setting where the algorithm can access stochastic function value evaluations with heavy-tailed noise, which is prevalent in many popular machine learning applications. We propose a stochastic zeroth-order algorithm that refines the framework of online-to-nonconvex conversion by clipping the two-point gradient estimator. The theoretical analysis shows that our algorithm can find a $(\delta, \epsilon)$-Goldstein stationary point with zeroth-order oracle complexity of ${\mathcal O}(d^{\frac{p}{2(p-1)}}\delta^{-1}\epsilon^{-\frac{2p-1}{p-1}})$, where $d$ is the problem dimension and $p\in(1,2]$ is the order of bounded moments. Note that our dependence on dimension $d$ matches the best-known results of stochastic zeroth-order optimization for finding the sub-optimal solution of a stochastic convex nonsmooth problem. In addition, our dependence on accuracy parameters $\delta$ and $\epsilon$ is consistent with that of the best-known stochastic first-order algorithms for stochastic nonconvex nonsmooth problems. Finally, we conduct numerical experiments to demonstrate the effectiveness of the proposed method.
Authors: Iulia Ple\c{s}u, Alexandra B\u{a}icoianu, Ioana Cristina Plajer
Abstract: With climate change and increasing human pressure on natural landscapes, inland water resources are becoming progressively scarcer, more vulnerable, and more difficult to manage sustainably. Reliable and automated methods for detecting, monitoring, and assessing surface water bodies are therefore of growing scientific and practical importance. In this paper, we investigate and compare three distinct machine learning architectures for water body identification and monitoring. Their performance is evaluated through quantitative metrics and real-world examples. Furthermore, a direct comparison with classical NDWI thresholding is conducted on a representative test image to highlight differences between data-driven and index-based approaches. This analysis allows us to identify the best-performing model in terms of accuracy, robustness, and practical applicability. Beyond detection, a major challenge for meaningful water quality assessment lies in the consistent and interpretable visualization of spectral water indices. Standard color mapping techniques are often inadequate or potentially misleading for environmental applications. To address this gap, we propose a suite of meaningful color schemes adapted for water quality indices, facilitating clearer interpretation, comparison, and decision-making for human users.
Authors: Vaishnavi Shrivastava, Piero Kauffmann, Ahmed Awadallah, Dimitris Papailiopoulos
Abstract: CLI agents are the closest thing language models have to an embodied setting: the model emits commands, the terminal executes them, and the returned stream -- stdout, errors, files, logs, and traces -- records the consequences. We argue that this stream is a supervision signal, but standard agent RL discards it: GRPO-style training updates action tokens with sparse outcome-level rewards while ignoring environment responses already in the rollout. Failed rollouts provide little policy-gradient signal despite containing rich evidence about how the environment responds. We introduce ECHO (Environment Cross-entropy Hybrid Objective), a hybrid objective that combines the standard policy-gradient loss on action tokens with an auxiliary loss that trains the policy to predict environment observation tokens resulting from its own actions. ECHO reuses the same forward pass as GRPO, requires no additional rollouts, and turns terminal feedback into dense supervision for all rollouts. ECHO doubles GRPO pass@1 on TerminalBench-2.0: Qwen3-8B improves from 2.70% to 5.17%, and Qwen3-14B from 5.17% to 10.79%. ECHO also produces policies that better predict terminal dynamics, even on trajectories they did not generate: across held-out rollouts, it sharply reduces environment-token cross-entropy while GRPO alone barely changes it. From base Qwen3-8B, ECHO matches expert-SFT-then-GRPO performance on held-out terminal tasks without expert demonstrations, and recovers roughly half of the expert-SFT initialization benefit on TerminalBench-2.0. In some settings, the environment prediction loss alone enables verifier-free self-improvement, allowing policies to improve on unseen OOD tasks by learning only from environment interactions. Together, these results suggest that environment observations are not merely context for future actions, but a dense, on-policy supervision signal already present in every rollout.
Authors: Zexuan Chen, Sichao Liu, Runhao Lu, Huichao Qi, Alexandra Woolgar, Xi Vincent Wang, Lihui Wang
Abstract: Visual decoding from brain signals is a key challenge at the intersection of computer vision and neuroscience, requiring methods that bridge neural representations and computational models of vision. We introduce a tri-modal contrastive framework for EEG-based visual decoding that aligns EEG, visual, and textual representations within a unified latent space. Our approach follows a two-stage design. First, we pre-train an EEG encoder via masked reconstruction on unlabeled trials, learning spatio-temporal regularities that transfer robustly to downstream tasks. Second, we jointly align EEG, image, and LLM-generated textual descriptions through contrastive learning, where text supervision acts as a semantic regularizer that injects linguistic structure into the shared space without overwhelming the primary EEG-image signal. The encoder integrates subject-specific adaptation, graph-attention over channels, and temporal-spatial convolutional embeddings. On the Things-EEG2 200-way zero-shot benchmark, our framework achieves 54.1% Top-1 and 83.4% Top-5 accuracy, substantially exceeding the strongest prior baseline (32.4% / 64.0%), with paired Wilcoxon tests confirming significance (p < 0.01) over all in-subject baselines. We validate generalization on Things-MEG. Analysis reveals that compact embedding geometries (CN-CLIP) outperform much larger backbones, and that decoding aligns with established neurophysiology of visual processing. This work is a critical step towards robust, semantically-grounded visual decoding from non-invasive temporal neural signals. The source code is publicly available in https://github.com/anon-eeg/eeg_image_decoding.
Authors: Xinyu Zhang, Sichao Liu, Runhao Lu, Alexandra Woolgar, Lihui Wang
Abstract: In non-invasive neural language decoding, results can be inflated by sources that are not stimulus-evoked neural evidence: decoder priors, embedding-based metrics, and non-neural structural nuisances such as signal duration. The methodological challenge is therefore attribution: a reported gain is more informative when it can be traced to a specific source. We recast stimulus-locked MEG-to-audio retrieval as an auditing framework that separates apparent performance into three sources - structural shortcuts, window-level stimulus-locked evidence, and cross-window contextual aggregation - and provides a diagnostic for each. Signal-blind Gaussian noise reaches 66.3% Rank@1 (R@1) under variable-length decoding but collapses to near chance once fixed-duration windows and stimulus-identity splits are enforced, isolating structural leakage. Under these controls, fixed-window retrieval recovers measurable MEG-audio discriminability, while an oracle sentence-bucket diagnostic shows that 95.7% of Top-1 errors select the wrong sentence, localising the residual bottleneck to sentence-level competition. We audit this contextual source with Group Context Bias (GCB), an inference-time additive logit bias that pools sentence-consistent evidence across windows while leaving the base retrieval scores and candidate pool fixed. Used as a score-space intervention, GCB makes the contextual source measurable: R@1 shifts from 44% to 52% on Gwilliams and from 22% to 29% on MOUS under the same fixed setting. GCB is auditable under this design: its effect collapses under random-grouping perturbations and vanishes when local evidence is attenuated in MEG or is near chance in EEG, supporting its use as a controlled source-attribution intervention. These results suggest that brain-to-language performance should be source-attributed, not merely reported.
Authors: Natalia Trukhina, Vadim Vashkelis
Abstract: Text compression for large language model (LLM) systems is usually framed as token deletion, retrieval, summarization, or exact reconstruction. We study a more aggressive but explicitly lossy setting: compress text into compact codes that an LLM can expand into task-relevant meaning. We call this setting SemanticZip. Unlike lossless compression, SemanticZip does not require byte-identical reconstruction; unlike ordinary summarization, it treats model-based decompression as part of the codec and evaluates whether task-relevant semantic commitments are recovered. This paper is a pilot framework, not a benchmark claim. We formalize LLM-mediated decompression, define a protected/lossy packet architecture, and evaluate six representation regimes over five author-constructed diagnostic cases: structured prose, JSON, CCL-Core, CCL-Min, SemanticZip ASCII, and SemanticZip emoji. An independent decoder LLM reconstructs typed semantic atoms from each compressed representation, and we score Critical Atom Recall, Weighted Atom Recall, precision, and tokenizer gain. In this pilot, structured prose has the highest recoverability, with WAR = 0.956 and 19.1% o200k_base token gain. CCL-Min is the strongest balanced point, with 39.4% token gain and WAR = 0.874. SemanticZip ASCII provides the largest useful compression, with 46.5% token gain and WAR = 0.802, while emoji-heavy SemanticZip performs worse on both compression and recovery. The main contribution is not the claim that these numbers establish a universal frontier. Rather, we introduce a reproducible experimental interface for studying lossy, LLM-decompressible text codes and a design principle: safety-critical and exact commitments should remain protected, while predictable low-risk context may be semantically zipped.
Authors: Jiaheng Wei, Yanjun Zhang, He Zhang, Leo Yu Zhang, Chao Chen, Kok-Leong Ong, Jun Zhang, Yang Xiang
Abstract: Federated learning (FL) increasingly needs machine unlearning to comply with privacy regulations. However, existing federated unlearning approaches may overlook the overlapping information between the unlearning and remaining data, leading to ineffective unlearning and unfairness between clients. In this work, we revisit federated unlearning through the lens of memorization. We argue that unlearning should mainly remove the unique memorized information attributable to the data to be forgotten, while preserving overlapping patterns that are also supported by the remaining data. Specifically, we propose Grouped Memorization Evaluation, an example-level metric that separates memorized knowledge from overlapping knowledge. Building on this metric, we introduce Federated Memorization Pruning (FedMemPrune), a pruning-based unlearning approach that resets redundant parameters responsible for memorization. Extensive experiments show that FedMemPrune closely matches retraining-based unlearning baselines while more effectively eliminating memorization than existing federated unlearning algorithms, yielding strong unlearning performance without sacrificing the utility of retained knowledge.
Authors: Utsav Singh, Sidhaarth Sredharan, Souradip Chakraborty, Amrit Singh Bedi
Abstract: Reinforcement learning with verifiable rewards can improve LLM reasoning, but learning remains sample-inefficient when terminal rewards are sparse. This has motivated a growing line of work on RL with textual feedback, where a critic model generates natural language feedback to guide a reasoning model (the actor), augmenting scalar rewards with richer learning signals. However, existing methods typically treat feedback as fixed or auxiliary, which misses a key property: feedback should not merely be correct, but should improve the policy (actor model) when provided in context. This motivates a paradigm of learnable textual feedback for RL. Yet the learnability and usefulness of feedback depend on the policy's ability to learn from it, making RL with learnable feedback an inherently bilevel problem. We formalize this coupling as a Stackelberg bilevel program and derive Bilevel Natural Language Actor-Critic (Bi-NAC), which jointly trains a critic to generate reward-improving feedback and an actor to exploit it. Across MATH-500, MBPP, and GPQA, Bi-NAC improves sample and parameter efficiency over RL and fixed-critic baselines: our 2B model outperforms the 3B GRPO baseline, achieving 46.6% versus 41.4% on MATH-500, while our 6B model surpasses the 7B GRPO baseline, achieving 49.3% versus 43.6% on GPQA.
Authors: Yan Leng, Thibaut Mastrolia, Hao Wang
Abstract: Time series driven by unobserved latent states frequently exhibit abrupt jump discontinuities whose timing and magnitude cannot be predicted from observed history alone. Classical jump-diffusion models offer a principled mathematical framework but assume rigid parametric forms, while recent neural jump models operate on fully observed trajectories without inferring the hidden states that govern the dynamics. We propose \textit{Deep ZakaiJ}, a latent-state model for partially observed jump-diffusion systems that embeds the Zakai nonlinear filtering equation into a neural encoder--decoder architecture. The encoder recursively updates a belief over the latent state via Strang splitting into three interpretable substeps: prior propagation, diffusion innovation, and jump innovation, yielding a differentiable, first-order-accurate approximation of the exact filtering evolution. The decoder is a structured jump-diffusion model explicitly conditioned on the filtered belief, preserving the separation between continuous dynamics and discontinuous shocks. On synthetic, financial, and oceanographic datasets, \textit{Deep ZakaiJ} improves distributional forecasts while remaining competitive in point accuracy, achieving calibrated predictive intervals and recovering interpretable latent structure in synthetic and qualitative case studies.
Authors: Ling Zhan, Xiaoyao Yu, Tao Jia
Abstract: AI for Science (AI4Science) workflows often treat the released dataset as a fixed interface to the underlying system. However, in domains relying on \emph{indirect observation}, the learner observes a derivative representation produced by multi-stage measurement, reconstruction, and preprocessing pipelines. \textbf{We argue that these measurement-to-dataset pipelines are inference components: treating their outputs as ``given data'' freezes an observation model and obscures uncertainty over feasible pipeline choices.} We identify three failure modes arising from this ``frozen lens'': \textbf{(C1) hidden hypothesis space}, where the released dataset does not specify the pipeline configuration or its validity conditions; \textbf{(C2) uncertified transportability}, where a pipeline may be documented but its regime of validity is untested, so failures under distribution shift cannot be adjudicated; \textbf{(C3) ungoverned multiplicity}, where many defensible pipelines exist and dispersion is real but not propagated into uncertainty-aware evidence. We stress-test these claims with a large-scale neuroscience empirical audit, finding a survival rate of $\approx 0.0004\%$ under a cross-dataset stability criterion. We call on the AI4Science community to make pipelines \emph{computable} inference objects via domain-specific Computable Observation Frameworks. This shift enables quantifying pipeline adequacy and stability, converting implicit implementation choices into auditable, reproducible, and cumulative scientific evidence.
Authors: Sattam Altuuaim, Lama Ayash, Muhammad Mubashar, Naeemullah Khan
Abstract: Despite the central role of optimization in deep learning, most optimizers rely on update structures whose functional form is fixed before training begins. This static design can limit their ability to respond to changing gradient behavior across the loss landscape, where training may shift between stable, noisy, and inconsistent regimes. This study proposes PILOT (Policy-Informed Learned OpTimizer), an online optimizer that adapts its update behavior during training. Rather than using a fixed balance between momentum, normalization, and sign-based updates, PILOT uses gradient-direction agreement as a signal of local training stability. Conditioning the update rule on this agreement signal allows the optimizer to adjust its behavior when gradients become stable, noisy, or inconsistent. Experiments on FashionMNIST and CIFAR-10 show that PILOT consistently achieves the highest accuracy among the evaluated optimizers across convolutional settings. On the CNN architecture, PILOT reaches 94.13% on FashionMNIST and 81.94% on CIFAR-10. On ResNet-18, it further improves performance, reaching 95.71% on FashionMNIST and 93.42% on CIFAR-10. These results suggest that learning how to adapt the update structure during training can improve performance across both compact and deeper convolutional models while preserving a simple first-order optimization framework. The implementation of PILOT is publicly available at https://github.com/SattamAltwaim/PILOT.git
Authors: Jordan F. McCann
Abstract: Independently trained transformers compute the same function in residual-stream bases that differ by a uniform random rotation on $\mathrm{SO}(d_{\mathrm{model}})$. We call this phenomenon polymorphism: same function, mutually unintelligible interior coordinates. One matrix multiplication per model pair removes it: an orthogonal Procrustes fit on a single batch of activations transfers sparse-autoencoder feature dictionaries and steering vectors between independently trained models, with no retraining. The phenomenon is invisible to the standard SAE universality metric. Decoder-column cosine similarity matches across seeds at 98%, the SAE-universality headline number, while an SAE trained on one seed reconstructs another seed's activations at negative explained variance, worse than predicting the constant mean. The decoder columns align; the encoder reads from a rotated frame. A single Procrustes rotation $R$ restores reconstruction to within 0.025 EV of the within-seed ceiling at every internal site. $R$ is Haar-distributed: $\|R - I\|_F$ matches the random-orthogonal prediction $\sqrt{2 d_{\mathrm{model}}}$ to 0.1% at $d_{\mathrm{model}} = 512$, and a Kolmogorov-Smirnov test of $R$'s eigenvalue spectrum against Haar $\mathrm{SO}(d_{\mathrm{model}})$ returns $p \approx 1.000$ pooled and per-pair. Diff-of-means steering vectors transfer in three regimes by alignment with $R$'s invariant subspace: clean when pinned by shared output weights, partial when overlapping the rotated subspace, inverted otherwise. With no shared I/O (Pythia), all three collapse to universally inverted. The same rotation account holds across training checkpoints within a single run. Validated on a 104k-parameter Dyck-3 transformer and nine independently-trained Pythia-70m seeds on The Pile, via a pre-registered four-bar operational framework. Frontier-scale (10B+) replication remains open.
Authors: Yuki Nakamura
Abstract: We audit alignment-induced shifts in residual-stream activations of three open-weight instruction-tuned LLMs (Llama-3.1-8B-Instruct, Gemma-2-9B-it, Qwen-2.5-7B-Instruct) using the effective rank of the alignment modification matrix on safety-relevant inputs, rho_eps := rank_eps(M_Ds)/d, which formalizes the single-refusal-direction observation of Arditi et al. (2024) as a continuous quantity. The paper has three contributions. (1) Confound-controlled measurement: a four-variant decomposition (M_naive, M_template, M_aligned, M_DiD) separates chat-template formatting, alignment-stage shift, and the refusal-mediating direction, and recovers the Arditi refusal direction on M_DiD at |cos| in {0.77, 0.86, 0.50} (Llama/Gemma/Qwen); chat-template-controlled rho_eps is {0.0029, 0.0048, 0.0044}, and the centered SVD residual is 4-7x larger. (2) Constructive calibration on a 3-layer MLP across rho_eps in {0.008, 0.17, 0.33, 0.40} exhibits a sweet-spot vs. brittle distinction: mild rank-maximization (lambda=5) buys ablation robustness, while strong regularization at the same nominal rho_eps (lambda=50) does not. rho_eps is a diagnostic for fragility, not a target whose mechanical inflation buys robustness. (3) Limits of rank-based diagnostics: (a) not safety-specific (LRH baseline is 2-3x the safety value); (b) SVD principal ordering does not match causal ordering (Llama u_2 inert despite ranking second; cumulative ablation non-monotone at k=5); (c) the spectral-gap hypothesis required to upgrade the O(rho_eps * d) achievability bound to a matching Mirsky-route lower bound fails empirically (1/90 Llama layer-reference pairs, 0/36 MLP combinations) and structurally (kappa_lb <= 2/(eps * r)). The matching lower bound remains an open problem.
Authors: {\L}ukasz Struski, Hanna Blazhko, Piotr Kubaty, Jacek Tabor
Abstract: Fast linear algebra in deep learning usually comes with a choice: fixed geometry and exact computation, as in the Fourier transform, or adaptive geometry paid for by dense parameters, random features, or low-rank surrogates. To move beyond this trade-off, we introduce LAPLEX, a class of exact, trainable (phased) Laplace-kernel operators. A LAPLEX layer is a typically full-rank dense matrix, implicitly defined by learnable coordinate anchors, with FFT-like scaling. Consequently, it supports trainable matrix--vector operations at vector dimensions up to $10^9$ on modern GPUs. As a neural layer, it yields compact projections and classification heads interpretable as soft, trainable routing models. The same primitive also serves as an efficient Gram operator, enabling high-dimensional covariance models on flattened images of dimension $3 \cdot 10^6$ that preserve visible spatial structure without imposing convolutional bias. These applications reflect a single principle: dense geometry can be learned without storing a dense matrix, which enables data-adaptive global interactions in regimes where ordinary dense layers are out of reach. In this sense, LAPLEX separates expressivity from storage cost: it behaves like a dense trainable matrix, but is represented and applied through a small structured set of parameters.
Authors: Aakash Kumar, Anatoly Khina, Frederik Mallmann-Trenn, Emanuele Natale
Abstract: Classical Hopfield networks are limited to static patterns due to symmetric weights, whereas asymmetric networks can encode temporal sequences via limit-cycle attractors. Achieving high-capacity storage of long sequences in classical synchronous asymmetric networks, however, has remained a challenge. We present a simple and robust construction within the classical asymmetric Hopfield model with binary neurons and synchronous updates, that allows $n$ neurons to support $\exp\!\big(\Omega(n/(\log n)^2)\big)$ distinct limit-cycle attractors, each with period $\exp\!\big(\Omega(\sqrt n/\log n)\big)$ and robust to random noise with flip probability up to $\frac12-o(1)$, yielding superpolynomial capacity in both the number and length of stored sequences. This is the first demonstration of such capacity for asymmetric Hopfield networks, which we obtain by combining results from combinatorics, number theory and the analysis of opinion dynamics. Our findings show that synchronous asymmetric Hopfield networks possess a sequence-memory capacity which is larger and more robust than previously recognized, demonstrating that, in both biological and artificial neural systems, robust sequence representation can be achieved through coarse architectural motifs rather than complex nonlinearities.
Authors: Sol Park, Soobin Um
Abstract: Minority sampling aims to generate low-density instances on a data manifold and is of central importance in applications such as medical diagnosis, anomaly detection, and creative AI. Existing approaches, however, define minority samples relative to generative priors learned from training data, confining rarity to model-specific notions that may poorly reflect real-world semantics. In this work, we propose a world-centric perspective on minority sampling, which defines rarity with respect to real-world priors rather than generator-induced densities. To this end, we introduce JEPA guidance, a diffusion sampling framework guided by a Joint-Embedding Predictive Architecture (JEPA) -- a class of world models that encode broad, semantically rich representations. JEPA guidance steers diffusion trajectories toward low-density regions under the implicit density induced by the JEPA, thereby aligning generated minorities with real-world semantic rarity. To make JEPA guidance computationally practical, we develop principled approximation strategies accompanied by theoretical error bounds, significantly reducing the overhead of guidance computation. Extensive experiments across unconditional, class-conditional, and text-to-image generation demonstrate that JEPA guidance consistently improves the fidelity and semantic validity of minority samples, outperforming generator-centric baselines in capturing real-world notions of rarity. Code is available at https://github.com/soobin-um/jepa-guidance.
Authors: Sai Sandeep Damera, Ryan Matheu, Aniruddh G. Puranic, John S. Baras, Calin Belta
Abstract: Recurrent Neural Networks (RNNs) can learn to predict Signal Temporal Logic (STL) verdicts online from partial trajectories, but deploying them as runtime monitors in safety-critical systems demands more than predictive accuracy. Standard RNN architectures offer no structural guarantee that outputs degrade gracefully under sensor degradation; a dropped input can silently flip a verdict from safe to unsafe. We introduce the Recurrent Differentiable Ternary Logic Gate Network (R-DTLGN), a recurrent architecture that operates over Kleene's three-valued logic $\{-1, 0, +1\}$, where $0$ explicitly represents unknown. The R-DTLGN trains through continuous polynomial surrogates and hardens to a discrete ternary logic circuit at inference. We analyze the hardened circuit through two gate vocabularies derived from two orderings on the ternary domain: numerically monotone gates ensure stable recurrent dynamics, while information-monotone gates, when present, guarantee principled abstention (unknown inputs never produce wrong outputs) and monotonicity in input certainty (more information can only improve the verdict). We show that the recurrent connections required by bounded STL operators use exclusively AND and OR, which belong to both vocabularies, linking the monitoring task to the architecture's guarantees. A realizability bound derived from the STL formula's temporal operators directly sizes the network's hidden state, replacing hyperparameter search with a formula-driven specification. We evaluate on STL specifications over D4RL PointMaze navigation data, testing prediction accuracy, degradation under predicate dropout, and the accuracy-versus-safety tradeoff between two label construction pipelines. The R-DTLGN is, to our knowledge, the first recurrent architecture that couples learned temporal prediction with formal degradation guarantees rooted in three-valued logic.
Authors: Muhammad Abid, Arth Sojitra, Omer San
Abstract: This work introduces the Wavelet-Laplace Neural Operator (WLNO), a novel neural operator that fuses Haar wavelet multi-scale spatial decomposition with the Laplace-domain pole-residue formulation of the Laplace Neural Operator (LNO). While LNO captures transient and steady-state dynamics through learnable system poles and residues, it lacks an explicit mechanism for extracting spatially localized multi-scale features inherent in complex PDE solutions. WLNO addresses this by augmenting the LNO core with a parallel single-level Haar discrete wavelet transform (DWT) branch that decomposes the lifted feature map into four frequency subbands: approximation (LL), horizontal detail (LH), vertical detail (HL), and diagonal detail (HH) and applies independent learned $1\times1$ convolutions to each subband before reconstruction via the inverse DWT. The two branches are fused through a learnable sigmoid-gated weight $\alpha_\mathrm{wav}$, initialized to give a small initial contribution to the wavelet branch, allowing the model to adaptively balance Laplace-domain dynamics against spatial multi-scale features throughout training. WLNO is evaluated against LNO on five benchmark PDE problems using identical hyperparameters, training data, and evaluation protocols: the diffusion equation, the Burgers equation, the reaction-diffusion system, Darcy flow, and the two-dimensional Navier-Stokes equation. WLNO consistently outperforms LNO on all five problems, with the most pronounced improvement on problems with strong spatial multi-scale structure, such as the Burgers equation with sharp shock fronts and the Navier-Stokes equation with coherent vortical structures, while remaining consistent across smoother and elliptic problems. These results demonstrate that wavelet-based multi-scale spatial decomposition is a principled and effective complement to Laplace-domain operator learning.
Authors: Zixuan Chen, Jiaxiang Chen, Li Luo, Ke Xu, Xiaoxiang Huang, Tanfeng Sun, Xinghao Jiang
Abstract: LLM-based agents are increasingly deployed for complex tasks requiring planning, tool use, and interaction with external services. Their reliance on untrusted external content exposes them to indirect prompt injection (IPI), in which adversarial instructions embedded in retrieved data hijack agent behavior. Existing attacks rely on static payloads that cannot adapt to agent-specific defenses; even recent adaptive methods lack structured feedback to guide optimization. We introduce \oursys, a feedback-guided iterative framework that closes the loop between injection, diagnosis, and refinement: a rule-based diagnoser produces structured outcome labels with behavioral descriptions, and an LLM-based optimizer refines payloads conditioned on the full optimization history. A synthesis step generates new disguise seeds from failure patterns, enabling the strategy space to self-evolve. On AgentDojo and InjectAgent, \oursys substantially outperforms static baselines and existing adaptive methods across four victim models. Extension experiments on Claude Code, a production-grade coding agent with layered defenses, show that optimized payloads achieve full success on 5 of 9 targets; even those that resist full exploitation exhibit measurable improvement from iterative refinement. We further present a mechanistic analysis of IPI, identifying an attention-mediated threshold mechanism in mid-to-late layers; three causal interventions validate this finding and point to concrete defense directions.
Authors: Tomer Lavi, Bracha Shapira, Nadav Rappoport
Abstract: Gradient-boosted trees achieve strong performance on tabular data, yet often leave a long tail of poorly predicted instances. We introduce a Trajectory-based Difficulty Score (TDS), an instance-level difficulty estimator for boosted ensembles derived from per-tree cumulative prediction trajectories. For each instance, we compute interpretable trajectory descriptors (e.g., variance, oscillation peaks, sign switches, and tail stability) and train a lightweight regression model to predict held-out loss. An empirical CDF calibrates the resulting signal into a score in $[0,1]$ that supports ranking hard cases. Across diverse tabular benchmarks and ensemble sizes, TDS exhibits strong rank correlation with error and outperforms established instance-hardness and uncertainty baselines on classification, while remaining competitive on regression. We then show how a single difficulty signal improves multiple data mining workflows: difficulty-driven active learning for label-efficient training, difficulty-thresholded selective prediction for improved risk-coverage trade-offs, and TDS-stratified (Mondrian) conformal prediction for more uniform conditional coverage. Finally, clustering high-TDS instances using SHAP attributions reveals coherent failure modes characterized by compact feature-value ranges, supporting error analysis and targeted data acquisition.
Authors: Hao Yan, Xuanru Wang, Jun Yin, Shirui Pan, Senzhang Wang, Chengqi Zhang
Abstract: Multimodal Attributed Graph Learning (MAGL) integrates intrinsic node attributes with structural topology via graph aggregation. However, as pretrained encoders evolve into Large Foundation Models (LFMs), the landscape of MAGL fundamentally shifts: under high-confidence LFM priors, mandatory aggregation introduces topological noise that overwhelms discriminative signals, triggering a counter-intuitive performance inversion where sophisticated MAGL architectures underperform simple topology-agnostic MLPs. Through systematic empirical and theoretical analysis, we identify that this inversion stems from a fundamental aggregation dilemma characterized by two concurrent pathologies: (1) Representational Pathology (SNR Degradation) - mandatory aggregation dilutes robust intrinsic features with topological noise, causing the noise penalty to outweigh its collaborative benefit; and (2) Optimization Pathology (Gradient Starvation) - topological aggregation attenuates gradient flow, while a shared task loss causes dominant modalities to prematurely suppress weaker ones. To resolve this dilemma, we propose SUPRA (Shared-Unique Prior-Retaining Architecture), a decoupled dual-pathway paradigm. SUPRA processes modality-specific features through topology-agnostic MLPs while capturing structural synergy via a lightweight shared GNN, with auxiliary deep supervision counteracting gradient starvation. Extensive evaluations demonstrate that SUPRA achieves state-of-the-art performance while requiring 3.5x lower peak GPU memory and up to 4.4x faster training time than Multimodal Graph Transformers.
Authors: Noah Farr, Aryaman Reddi, Carlo D'Eramo, Jan Peters
Abstract: Streaming reinforcement learning has emerged as an online learning paradigm that conforms to the restrictions of natural learning agents that process data incrementally, i.e. with a batch size of 1 and no replay buffer. While streaming RL has recently been shown to scale with deep function approximation with full observability, partially observable settings have remained out of reach. Truncated backpropagation through time collapses to a one-step gradient horizon under the streaming setting, and exact real-time recurrent learning is prohibitively expensive. We close this gap using recurrent trace units, a diagonal recurrent architecture that enables exact RTRL with linear time and memory complexity in the parameter count, and show that they integrate cleanly into existing streaming algorithms across both discrete and continuous control. On a MemoryChain diagnostic with chain lengths from 2 to 128, our method sustains performance where streaming TBPTT(1) baselines using feedforward, GRU, and RTU networks collapse. On five POPGym tasks and on partially observable MuJoCo continuous control, the streaming approach is competitive with batched PPO on POPGym and recovers a substantial fraction of batched performance on masked MuJoCo, despite using no replay buffer or batched updates.
Authors: Akmal Xodarev
Abstract: We establish four structural results for feature learning in wide two-layer neural networks under the Maximal Update Parametrization ($\mu$P). First, we prove global existence and uniqueness of the mean-field limit of noisy gradient descent under $\mu$P, identifying the maximal admissible weight $w^*$ on the moment sequence of the initialization as the reciprocal parameter-moment-growth boundary, and hence the largest weighted moment class propagated by the flow. The finite-particle approximation has uniform-in-time squared-Wasserstein rate $O(N^{-1})$. Second, we characterize identifiability of the mean-field limit: two admissible parameter measures induce the same network function in $L^2$ exactly when their active components agree modulo the finite-rank realization symmetry of the architecture. The orbit depth $D^*_{\mathrm{orb}}$ is separated from the moment-variety depth $D^*_{\mathrm{var}}$. Third, under the Barron-Hermite target condition the active support of the long-time limit measure admits a sparse-dictionary decomposition: it is supported on at most $S^*$ atoms modulo finite-rank realization symmetry, with $S^*$ bounded by an explicit coefficient-threshold number. Fourth, we derive the total feature-learning-error decomposition into statistical, optimization, propagation-of-chaos, and sparse-residual components, with a target-dependent Hermite/Barron tail replacing any initialization-only residual. The four results are tied together by an architectural identity: the triple $(w^*, D^*_{\mathrm{orb}}, S^*)$ -- the maximal admissible weight, the orbit identifiability depth, and the sparse-dictionary depth at which the target is realizable -- is the natural learning cell of the architecture-data pair $(\sigma, \rho)$. The proofs are self-contained except for standard results from $\mu$P and mean-field Langevin theory.
Authors: Beyazit Bestami Yuksel, Emrah Dikbiyik
Abstract: Federated learning (FL) enables privacy-preserving collaborative training across distributed edge devices, but real deployments involve heterogeneous clients with different processing power, memory capacity, and communication latency, which often increase round duration and system cost. This paper proposes a hardware-aware federated learning framework for emotion recognition on session-partitioned IEMOCAP that integrates hardware profiling, top-K client selection, and adaptive local epochs within a unified training loop. We compare the method against FedAvg, FedProx, and random top-K selection under a non-IID setup and show that, across 50 federated rounds and 5 independent trials, the proposed approach achieves competitive validation accuracy (0.352), reduces total training time by about 36.5% compared to FedAvg, and lowers cumulative communication cost by 40%.
Authors: Amogh Palasamudram, Jakub Svoboda, Suguman Bansal, Krishnendu Chatterjee
Abstract: Reinforcement learning (RL) for reachability specifications is fundamental in sequential decision-making, yet theoretical guarantees remain less explored. A recent work achieves asymptotic convergence to optimal policies. However, this approach provides limited insight into convergence dynamics. In this work, we present an alternative approach that provides deeper theoretical insights into convergence. Our approach builds on PAC learning with assumptions. PAC learning guarantees near-optimal policies with high confidence in finite time but requires knowing internal MDP parameters like minimum transition probability. We argue that while these parameters are unknown in RL, they can be iteratively refined and estimated with increasing accuracy. By iteratively satisfying PAC conditions, we show that exact optimality can be achieved in the limit. Empirical evaluations on standard benchmarks validate our theoretical insights into convergence dynamics.
Authors: Emanuele Guidotti, Sara Puglioli
Abstract: Obtaining consistent explanations for machine learning on molecular graphs requires predictions and attributions to be aligned with chemical identity. However, chemically equivalent drawings of the same molecule can induce different molecular representations, leading to inconsistent predictions and explanations. Here, we introduce InChIfied Invariants, a class of node, edge, and graph features based on the International Chemical Identifier (InChI) and designed to be invariant under transformations that preserve chemical identity. Using one million molecular graphs from PubChem Substances, we show that InChIfied Invariants produce identical representations for chemically equivalent graphs in 99.62% of cases, whereas standard Daylight invariants do so in only 0.35% of cases. Across MoleculeNet tasks, InChIfied Invariants preserve predictive performance while significantly improving prediction consistency across alternative graph depictions of the same molecules. We further perform a quantitative attribution analysis and show that explanations produced with standard molecular featurization methods vary substantially across chemically equivalent graphs, while InChIfied Invariants enforce consistent attributions by construction. We release open-source software implementing InChIfied Invariants, which can be used as a drop-in replacement for standard molecular graph features.
Authors: Shresth Verma, Mauricio Tec, Cheol Woo Kim, Kai Wang, Milind Tambe
Abstract: While LLMs excel at single-turn generation, they struggle with long-horizon, multi-turn interactions. Offline reinforcement learning (RL) offers a scalable approach, yet its performance hinges on the availability and quality of multi-turn trajectory data. A common remedy is to augment training with synthetic trajectories generated by LLMs or simulators, but synthetic data is highly heterogeneous in quality, and naively treating all trajectories as equally informative can degrade performance. We propose BOOST, a bilevel optimization framework where the inner level trains the LLM on reweighted data and the outer level trains a lightweight reweighting head on held-out real validation tasks, assigning continuous trajectory-level weights without requiring an external judge. To ground this approach, we derive a PAC-Bayesian bound revealing a three-way trade-off: synthetic data increases diversity but risks task-shift, while concentrating weight on high-quality trajectories improves empirical performance at the cost of effective sample size. Empirically, our method consistently outperforms multiple baselines. Analysis reveals it upweights synthetic trajectories that align with the real data distribution and exhibit higher qualitative merit.
Authors: Andrej Risteski, Thuy-Duong Vuong
Abstract: We study \emph{learning-to-sample} -- a basic algorithmic task underlying generative modeling -- for Ising models, a standard testbed for algorithmic ideas in both theoretical computer science and machine learning. Given i.i.d. samples of an unknown target distribution, the goal of learning-to-sample is to learn a computationally efficient generation procedure that produces new samples following approximately the same distribution. We construct a family of Ising models of constantly bounded-width which lie just beyond the spectral threshold $\lambda_{\max}(J)-\lambda_{\min}(J)=1$, and show that learning-to-sample for this family is computationally hard under standard cryptographic assumptions, even when the learner is given both polynomially many i.i.d. samples from the model and explicit access to its parameters. Combined with results of [AJKPV24,KLV25] showing tractability of learning-to-sample below the spectral threshold, this establishes a sharp computational phase transition at the spectral threshold. Moreover, combined with prior results on parameter learning for bounded-width Ising models [KM17,WSD19,VML20], this shows that learning-to-sample can be more difficult than parameter learning. Finally, we show that any efficient learner for these hard instances exhibits a natural memorization-hallucination dichotomy: the learner must either output configurations that, after a simple transformation, match the (transformed) training data or place substantial mass on configurations of negligible probability under the target distribution.
Authors: Zuyuan Zhang
Abstract: Discounted reinforcement learning is usually presented through Bellman equations on closed Markov decision processes. This paper develops a compositional view: a one-step decision process is treated as an open stochastic component, and infinite-horizon policy evaluation is obtained by closing a contractive feedback loop. The resulting semantics assigns typed Bellman transformers to open components, interprets series and parallel wiring as composition and tensoring of transformers, and interprets feedback as an admissible guarded Banach trace realized by a unique fixed point. This perspective yields three theoretical consequences. First, approximate component equivalence is a contextual congruence for admitted well-typed guarded one-hole contexts: local operator error remains controlled after plugging the component into a surrounding circuit that uses the hole once and whose feedback nodes have certified uniform guardedness. Second, exact and approximate state abstractions become commuting or near-commuting coalgebraic diagrams, giving value-preservation and explicit sup-norm distortion bounds. Third, under monotone $\omega$-continuous contract-transformer semantics, safety, risk, and resource specifications can be represented as quantale-valued contracts, where local inductive bounds lift through wiring and feedback by least-fixed-point reasoning. Its central claim is not that all RL morphisms form a global traced monoidal category, but that discounted Bellman evaluation admits a contractive feedback semantics on the admissible class of guarded circuits.
Authors: Logan A. Burnett, Hyungjun Kim, Hsien-Cheng Chou, Arsha Witoelar, Robert A. Brewster, Benoit Forget, Emilio Baglietto, Majdi I. Radaideh
Abstract: This work presents a high-fidelity computational fluid dynamics (CFD) and data-driven modeling framework for assembly-level flow characterization in a four-loop pressurized water reactor (PWR). A full lower-plenum and core-inlet domain was constructed using publicly available geometry and operating conditions, enabling transient simulations with pump-induced swirl boundary conditions. The results show that cold-leg swirl and lower-plenum transport generate strongly heterogeneous assembly-wise inlet flow distributions, particularly near the lower core region, while axial resistance and mixing progressively homogenize the flow at higher elevations. These physics-informed datasets were subsequently used to evaluate machine learning (ML) applications for partial field reconstruction and short-term autoregressive prediction. A 3D convolutional-based inpainting model successfully recon-structed missing assembly-level mass flow rates from partial observations, with errors concentrated in the highly turbulent base (bottom) layer and diminishing significantly in upper layers. Comparative analysis across multiple ML models demon-strates that spatially aware architectures, particularly ConvLSTM, significantly outperform sequence-based (LSTM) and operator-learning (DeepONet) approaches by effectively capturing coupled spatio-temporal dynamics. The study also high-lights key challenges, including the sensitivity of inlet flow predictions to turbulence and mesh resolution, as well as the absence of full-scale experimental validation data. Despite these limitations, the results remain consistent with expected physical behavior. Overall, this work establishes high-fidelity CFD as a critical foundation for developing data-driven surrogates, sparse sensing strategies, and future multiphysics coupling frameworks.
Authors: Ben S. Southworth, Shuai Jiang, Daniel McBride, Eric C. Cyr, Stephen Thomas
Abstract: Muon is a recently developed matrix-aware optimizer that has shown strong results in transformer training, but its behavior in vision transformers (ViTs) is not yet well understood. We study Muon for ViT training, largely on ImageNet-100 and Pl@ntNet-300K, comparing against AdamW under standard vision recipes involving mixup, cutmix, smoothing, and random augmentation and erasing. Muon consistently outperforms AdamW, with especially large gains on long-tailed Pl@ntNet macro top-1. These gains are also recipe-dependent, where Muon benefits much more than AdamW from advanced and significant data augmentation techniques. To understand this interaction, we analyze the singular-value structure of matrix gradients throughout the ViT. Within Muon training runs, removing heavy data augmentation induces a late-training spectral concentration and mode collapse in gradient matrices, primarily in deep MLP-down blocks. Under a fixed "full" augmentation recipe, the clearest Muon-AdamW contrast appears instead in QKV gradients, where AdamW gradient energy remains concentrated in a much narrower basis while Muon spreads energy across substantially more singular modes. Muon in ViTs is therefore best understood as an optimizer-recipe interaction. Under a fixed recipe, Muon differs from AdamW most clearly in attention projections, where its gradients consist of a broader spectral basis. Within Muon, a full training recipe is important for preventing late spectral concentration and mode collapse in deep feedforward blocks. We further demonstrate efficacy in training ViTs on image segmentation and masked autoencoder models, where Muon outperforms AdamW in all settings considered.
Authors: Jinjin He, Zhiqi Li, Sinan Wang, Bo Zhu
Abstract: We propose Hermite-NGP, a gradient-augmented multi-resolution hash encoding designed to enable fast and accurate computation of spatial derivatives for neural PDE solvers. Unlike existing NGP-based approaches that rely on automatic differentiation or finite differences and suffer from instability or high cost, Hermite-NGP explicitly stores function values and mixed partial derivatives at hash grid vertices, allowing fully analytic evaluation of gradients, Jacobians, and Hessians via Hermite interpolation. This design preserves the efficiency and spatial adaptivity of NGP while supporting analytic differential operators up to second order. We further introduce a multi-resolution curriculum training strategy analogous to multigrid V-cycles to enable coarse-to-fine optimization. Across a range of 2D and 3D PDE benchmarks, Hermite-NGP achieves up to approximately 20 times lower error than prior neural PDE methods, and reduces wall-clock convergence time by 2 to 10 times compared to other solvers, with per-epoch training times as low as 3.5 ms for models with up to 17M parameters.
Authors: Rishabh Iyer
Abstract: Submodular optimization has become a fundamental paradigm for data selection, retrieval, summarization, and representation learning due to its ability to model coverage, diversity, and representativeness. However, classical submodular objectives optimize only the selected subset and do not explicitly preserve structural information between the selected subset and the remaining data. In many modern machine learning applications, including train/validation/test splitting, benchmark construction, and robust subset selection, the quality of a selection depends critically on preserving balanced structure across both the selected subset and its complement. In this work, we introduce Complement Submodular Information (CSI), a new class of complement-aware submodular objectives that quantify shared structural information between a subset and its complement. Our framework induces complement-aware variants of several classical submodular functions including Facility Location, Graph Cut, LogDet, Saturated Coverage, Set Cover, Probabilistic Set Cover, and Feature Based Functions. We analyze the theoretical properties of CSI objectives and show that they exhibit approximate monotonicity under bounded curvature conditions, leading to near-$(1-1/e)$ greedy approximation guarantees. Empirically, CSI objectives consistently outperform standard submodular objectives on robust hidden-slice-aware subset selection. In particular, CSI objectives significantly improve preservation of coherent rare/tail semantic structure while simultaneously suppressing noisy and isolated outliers, leading to substantially improved downstream predictive performance. Synthetic experiments further illustrate how different CSI instantiations capture complementary notions of representativeness, diversity, connectivity, and balanced neighborhood preservation.
Authors: Dingling Yao, Andrea Polesello, Adeel Pervez, Caroline Muller, Francesco Locatello
Abstract: While Vision Foundation Models (VFMs) excel at predictive tasks on satellite imagery, their performance can arise from visual correlations rather than underlying structural invariants, making even perception-based out-of-distribution accuracy a poor proxy for scientific utility. As a result, models may look correct without reasoning correctly, a discrepancy we term the Perception-Physics Paradox. To address this gap, we introduce scientific alignment as an implicit objective for representation learning in scientific domains. We study a principled, testable aspect of scientific alignment through structural isomorphism, which requires latent representations to uniquely identify physical systems up to a linear reparameterization. This perspective induces a hierarchy of necessary conditions and yields a systematic probing protocol for physical and causal interpretability. To operationalize this framework, we release TC-Bench, a global, reproducible benchmark dataset with an automated construction pipeline for tropical cyclone research, and show that current VFMs rely on visual shortcuts that collapse in intense regimes, indicating that scientific alignment does not arise as a natural byproduct of scaling alone.
Authors: Yubo Li, Yidi Miao
Abstract: Long-horizon LLM inference turns the key--value (KV) cache into the dominant GPU memory consumer and makes per-token attention increasingly expensive. Many common eviction policies use static recency windows or historical attention, leaving unused a signal computed on every decoding step: the model's current uncertainty. We introduce CONF-KV, a KV-cache manager that converts the next-token distribution into a scalar confidence score and uses it to choose the per-step cache budget, retaining more context when the model is uncertain and pruning aggressively when it is confident. Within each budget, tokens are ranked by a composite of accumulated attention mass and recency, while a protected recent window preserves local coherence. We combine the policy with blockwise online-softmax attention, mixed FP16/INT8 storage, and a pyramidal per-layer budget variant. Across four model families and generated lengths up to 4K, CONF-KV stays near the footprint of a fixed 512-token sliding window while remaining within 1.5--2.1 perplexity points of full KV. On Needle-in-a-Haystack up to 32K tokens, CONF-KV reaches 91.4% retrieval accuracy versus 53.8% for sliding windows and 80.6% for H2O; on 75 VisualWebArena tasks it retains 95.3% of full-KV success at 2.8 times lower peak memory.
Authors: Emma Brunskill, Ishani Karmarkar, Zhaoqi Li
Abstract: A key goal in stochastic contextual linear bandits is to efficiently learn a near-optimal policy. Prior algorithms for this problem learn a policy by strategically sampling actions but naively (passively) sampling contexts from the underlying context distribution. However, in many practical scenarios -- including online content recommendation, survey research, and clinical trials -- practitioners can actively sample or recruit contexts based on prior knowledge of the context distribution. Despite this potential for active learning, the role of strategic context sampling in stochastic contextual linear bandits is underexplored. We propose an algorithm that learns a near-optimal policy by strategically sampling rewards of context-action pairs. We prove instance-dependent theoretical guarantees demonstrating that our active context sampling strategy can improve over the minimax rate by up to a factor of $\sqrt{d}$, where $d$ is the linear dimension. We show empirically that our algorithm reduces the number of samples needed to learn a near-optimal policy, in tasks such as warfarin dose prediction and joke recommendation.
Authors: Guodu Xiang, Kui Yu, Yujie Wang, Richang Hong, Fuyuan Cao, Jiye Liang
Abstract: Confounding bias is a key challenge in causal effect estimation from observational data. Double Machine Learning (DML) addresses this issue by estimating treatment and outcome nuisance functions, constructing treatment and outcome residuals, and estimating causal effects from the residuals. However, DML often produces biased and unstable estimates in highdimensional or finite-sample scenarios. One reason is that DML estimates nuisance functions using all covariates without disentangling distinct latent factors, resulting in unreliable nuisance function estimation. Another is that imprecise nuisance estimation further introduces residual dependence between the treatment residual and the remaining outcome error, undermining the accuracy of causal effect estimates. To address these issues, in this paper, we propose Disentangled Double Machine Learning (DDML), a novel algorithm that integrates two key strategies. First, a causal role disentanglement strategy decomposes covariates into confounders, treatment-specific factors, and outcomespecific factors for enabling reliable nuisance function estimation. And second, a residual dependence orthogonalization strategy mitigates residual dependence caused by nuisance estimation errors for enhancing the precision of causal effect estimates. Experimental results on synthetic, semi-synthetic, and real-world datasets demonstrate that DDML significantly outperforms 13 state-of-the-art baseline algorithms in both MAE and RMSE.
Authors: Yu Yang, Yihong Guo, Anqi Liu, Pan Xu
Abstract: Off-dynamics offline reinforcement learning seeks to learn a target-domain policy from a large source dataset and a limited target dataset under mismatched transition dynamics. Existing approaches such as reward augmentation and data filtering are constrained to the source dataset and cannot synthesize new target behavior to improve coverage beyond the collected source trajectories. While recent model-based methods attempt to address this by learning target-aware dynamics, the generated experience is constructed only at the transition level, which leads to accumulated errors over long horizons. These limitations necessitate a shift toward trajectory-level generation for off-dynamics offline RL. We propose CEDGE, a Cross-domain Energy-guided Diffusion GEneration framework. CEDGE trains a trajectory diffusion model on source-domain trajectories and adapts the generated samples to the target domain through energy guidance. This guidance is derived by minimizing the distribution mismatch between the source and desired target-domain trajectories and is decomposed into return, domain, and behavior energy components. The resulting energy-guided trajectories are useful both for direct planning and as synthetic data for policy learning. Since target adaptation is achieved via energy guidance rather than retraining the diffusion model, CEDGE can be efficiently adapted to new target dynamics compared to previous methods. Experiments on the ODRL benchmark demonstrate that trajectory-level energy-guided generation improves diffusion planning under dynamics shifts and produces synthetic data that improves downstream target policy learning.
Authors: Jiangjie Qiu, Yijun Li, Wentao Li, Xiaonan Wang
Abstract: Property-conditional molecular generation should produce valid, diverse molecules while responding to continuous target values at low sampling cost. We introduce DriftingMol, a two-stage framework that adapts drifting models to a SELFIES latent molecular space. A frozen SELFIES beta-VAE provides the latent space, and the hidden representation of its decoder serves as the drift feature map. In decoder-coupled drift, decoder weights remain fixed, but drift gradients are backpropagated through the decoder feature map to a DiT generator, inducing a pullback metric aligned with molecular decoding. On ZINC250K, the default setting achieves QED Spearman correlation 0.493 with 94.7% uniqueness, while the strongest decoder-coupled condition reaches 0.510. Under protocol-matched four-property conditioning, decoder-coupled drift reaches mean Spearman correlation up to 0.598. Across 15 controlled variants, models that preserve the gradient path through decoder features achieve higher correlations than the tested latent-space, random-feature, and external-feature drift variants, while detached or stop-gradient decoder controls yield near-zero QED correlation and very low uniqueness. These results indicate that decoder-coupled drift is a useful low-cost mechanism for property-biased molecular generation, requiring one generator evaluation and one frozen decoder pass.
Authors: Xiangtian Ji, Yuxin Chen, Zhengzhou Cai, Xiang Wang, An Zhang, Tat-Seng Chua
Abstract: Large language models (LLMs) display strong comprehensive abilities, yet the internal mechanisms that support these behaviors remain insufficiently understood. In this work, we show that across a wide range of open-weight Transformers, a subset of neurons remains consistently highly activated during inference across tasks of multiple capability dimensions. By probing along the cross-task activation strength, an extremely sparse subset is isolated, whose removal causes a collapse in model behavior, which we term keystone neurons. Our analysis reveals that keystone neurons are a stable and intrinsic neuron subset of the model that is largely established during pretraining. The parameters associated with these neurons are tightly calibrated during the training process, and their precise values are critical for the capabilities of the model. Building on these insights, we propose a supervised fine-tuning approach that updates only keystone neurons, achieving task gains comparable to or even better than full-parameter fine-tuning while better preserving performance in other capability dimensions, despite modifying a much smaller number of parameters.
Authors: Zeyu Shen, Zhuoyuan Wang, Laixi Shi
Abstract: Recent advances in learning-based model predictive control (MPC) have leveraged neural networks for online model learning, achieving strong performance when nonstationary system dynamics deviate from nominal models. However, existing approaches primarily address specific or relatively structured forms of dynamical variation, leaving more general, unknown, and unpredictable time-varying dynamics insufficiently handled. To tackle this challenge, we propose T2S-MPC, a framework that adaptively learns a residual dynamics model online and integrates it with the nominal model within the MPC framework to enable fast-evolving online planning. To make the model time-aware, we explicitly encode temporal information through a structured time embedding and employ a two-timescale update scheme, allowing the controller to capture nonstationary dynamics while balancing rapid adaptation with stable learning. We evaluate the proposed method on a 2D quadrotor across stabilization and trajectory tracking tasks under diverse time-varying disturbances, including linear drifting and periodic perturbations. Experimental results show that T2S-MPC consistently outperforms classical MPC, neural MPC, and ablated variants in control performance, while also demonstrating strong robustness across a wide range of disturbance conditions without additional tuning. The source code is publicly available at https://github.com/Zeyuu0920/T2S_MPC
Authors: James Henry
Abstract: Concept formation in transformer language models is depth-extended, not a single-layer event: concepts emerge gradually across a contiguous region of the residual stream. Mechanistic interpretability methods identify the single layer of peak class separation -- the "best layer" -- capturing a snapshot rather than the process itself. We introduce the Concept Allocation Zone (CAZ): the depth interval within which a concept becomes measurably separable, the region allocated to its geometric expression. We formalize the CAZ through three layer-wise metrics (Separation, Concept Coherence, Concept Velocity) and derive principled boundary detection without manual layer sweeps. A CAZ is not a concept: it is the depth region within which the model organizes its geometry to make a concept separable. A single concept typically participates in multiple CAZes; multiple concepts may share one. Empirical validation across 34 models from 8 architectural families and 7 concepts reveals that the separation curve S(l) is frequently multimodal. A scored detector uncovers "gentle CAZes" -- subtle allocation regions invisible to standard peak detection but causally active in 93-100% of cases under ablation (16 of 34 models; 26 in the companion validation paper). The framework generates seven testable predictions; four yield clear verdicts (two not supported, one partially supported, one supported), one had its precondition invalidated by the data, and two are underpowered -- with cross-architecture alignment confirmed as depth-matched rather than monolithic under leave-one-concept-out cross-validation. Reference implementation: rosetta_tools v1.3.1 (doi:10.5281/zenodo.20361433).
Authors: Zhongjian Qiao, Jiafei Lyu, Chenjia Bai, Peisong Wang, Siyang Gao, Shuang Qiu
Abstract: Cross-domain offline reinforcement learning (RL) aims to learn a policy in the target domain with a limited target domain dataset and a source domain dataset that exhibits a dynamics shift. Training directly on the original source dataset typically leads to performance collapse. Recent studies perform data filtering from the perspective of dynamics alignment or value alignment to enable efficient policy transfer. However, these studies are typically validated on single-domain or single-behavior-policy source datasets. In this work, we explore a more general heterogeneous cross-domain offline RL setting, where the source datasets may be collected from multiple source domains by diverse behavior policies. We first uncover a critical yet overlooked issue in this setting: value misassignment. Empirically and theoretically, we demonstrate that value misassignment can undermine value alignment, mislead data filtering toward selecting suboptimal samples, and loosen the suboptimality gap, thereby degrading the agent's performance. To address this issue, we propose V2A, which integrates dynamics alignment, value alignment, and value assignment. V2A first employs temporally-consistent modality representation learning to extract dynamics modalities from the source dataset, followed by modality-aware advantage learning to rectify value alignment. Finally, it adopts a data filtering paradigm to selectively share source data for policy learning. Empirical results show that V2A significantly outperforms strong baseline methods under general heterogeneous cross-domain offline RL settings.
Authors: Rajarshi Biswas
Abstract: Temporal surrogate models are effective for predicting chaotic dynamical systems where computational cost can be prohibitive. Several deep neural network architectures can be used for such purposes. In this work, a few commonly used architectures are compared using a common training protocol. The objective is to fairly assess the impact of model architectures for long-horizon prediction stability. Experiments are carried out for three problems, the double pendulum, the Kuramoto-Sivashinsky equations, and the Kolmogorov flow. The experiments are carried out with matching model capacity. Analysis is also carried out for a scenario where each model is individually optimized. It is observed that in both scenarios, the models exhibit categorical differences in long-horizon rollouts. For a concrete quantification, stepwise error injections and perturbation amplifications are analyzed using metrics such as local jacobian, relative one-step bias, and finite-time Lyapunov growth. Additionally, an attractor analysis is also conducted to assess how well the learned models replicate the underlying system geometry. An ablation study to isolate the impact of each component of a continuous-update architecture is also carried out. It is concluded that models that having integrator-like updates show lower bias and perturbation amplification yielding stable long-horizon rollout and more accurate predictions.
Authors: Tomer Lavi, Bracha Shapira, Nadav Rappoport
Abstract: Conformal prediction provides distribution-free coverage guarantees, but in many-class classification it may still under-cover specific classes or subpopulations, preventing safe deployment in high-stakes applications. We propose Cluster Frequency Conformal Prediction (CFCP), a plug-in framework that adapts conformal prediction to local structure in a learned representation space. CFCP clusters learned embeddings, estimates cluster-level label-frequency distributions from calibration data, and for each test point constructs a sample-specific probability vector by softly mixing nearby cluster distributions regularized with global-prior and reliability-aware shrinkage. This vector is then conformalized using standard set constructors. In the disjoint-split regime, CFCP inherits standard finite-sample marginal validity. Under additional assumptions, CFCP further admits a local-validity interpretation. Since representation clusters aggregate locally similar samples, their empirical class frequencies provide a stable estimate of local label ambiguity. Across image and text benchmarks, CFCP achieves the best class coverage in 15/16 dataset/score-family comparisons and a competitive prediction set size efficiency, with several settings substantially more efficient. Overall, our results show that cluster-frequency information provides an effective localized signal for improving classwise reliability in many-class conformal prediction.
Authors: Enayat Ullah, Sai Aparna Aketi, Devansh Gupta, Huanyu Zhang, Meisam Razaviyayn
Abstract: Large language models (LLMs) are trained on vast datasets that may contain sensitive information. Differential privacy (DP), the de facto standard for formal privacy guarantees, provides a principled framework for training LLMs with provable privacy protection. However, state-of-the-art DP training implementations rely on fast gradient clipping techniques with memory overhead $O(B \min\{T^2, d^2\})$, where $B$ is the batch size, $T$ is the sequence length, and $d$ is the model width. This becomes prohibitive as both model size and context length grow. We propose DP-SGD-RC, a novel variant of DP-SGD with randomized clipping that reduces memory and compute complexity. DP-SGD-RC leverages stochastic trace estimation methods, specifically Hutchinson's estimator[Hutchinson, 1989] and its improved variant, Hutch++[Meyer et al., 2021], to reduce the memory footprint of per-sample gradient norm estimation. We provide a tight privacy analysis showing that DP-SGD-RC achieves noise multipliers competitive with deterministic clipping. Experiments fine-tuning Llama~3.2-1B on long-context benchmarks spanning classification, question answering, and summarization tasks demonstrate that DP-SGD-RC matches baseline utility while significantly reducing memory and compute requirements.
Authors: Ismail B. Mustapha, Shafaatunnur Hasan, Sunday O. Olatunji, Hatem S. Y. Nabus
Abstract: Class imbalance in deep neural networks (DNNs) has witnessed a rapid increase in research attention in recent years. However, the varying accounts of the reasons behind the poor performance of DNN on imbalance data in pertinent literature shows that little is known about how this agelong phenomenon impacts the performance of DNNs. A better understanding of this problem is crucial to developing effective DNN-based imbalance methods. Thus, this study systematically investigates the impact of class imbalance on the learning dynamics of DNN by monitoring the learning pattern of DNN models on both the majority and minority classes of datasets of varying imbalance ratios. Experimental findings shows that as against learning from balanced datasets where DNN learns the classes similarly, class imbalance has severe deteriorating impact on the performance of DNN, driving the model to underfit the minority class samples in the early training epochs while simultaneously learning only the majority class. Although DNN ultimately learns the minority samples, learning in this manner only results in learnt minority representations that are non-generalizable at test phase because they are merely overfitted to keep the overall training loss as low as possible.
Authors: Jinjin Chi, Lei Feng, Lulu Zhang, Yongcheng Jing, Yiming Wang, Ximing Li, Jialie Shen, Leszek Rutkowski, Dacheng Tao
Abstract: Time series foundation models (TSFMs) have recently achieved strong zero-shot forecasting performance through large-scale pretraining and retrieval-augmented prediction. However, our empirical analysis reveals a non-trivial limitation of retrieval-based forecasting: retrieval tends to induce more oscillatory predictions, improving performance on highly fluctuating series while degrading accuracy on smoother, trend-dominated ones. This suggests that retrieved information may be fused into prediction without explicitly distinguishing stable temporal structure from instance-specific variations, which can reduce robustness under distribution shifts. We propose a Retrieval-guided Invariant-Dynamic DEcomposition framework for time series forecasting. Rather than using retrieval as auxiliary predictive context, we leverage retrieved sequences as implicit samples from related environments to guide representation decomposition. Specifically, we first construct a retrieval-aware representation via attention-based aggregation, and then introduce a retrieval-guided routing mechanism to decompose it into an invariant component capturing stable shared structure and a dynamic component modeling context-dependent variations. These two components are forecast separately and fused for final prediction, enabling the model to preserve transferable patterns while remaining adaptive to evolving dynamics. We further design training objectives that encourage invariant learning and disentanglement, and provide theoretical insight showing that retrieval aggregation reduces variance and approximates invariant representation learning without explicit environment supervision. Extensive experiments demonstrate that our method consistently improves robustness under distribution shifts and outperforms existing TSFMs and retrieval-based baselines in zero-shot forecasting settings.
Authors: Mini Han Wang, Liting Huang, Wei Hong, Boonthawan Wingwon
Abstract: Background: Type 2 diabetes mellitus (T2DM) is increasingly recognised as a systemic disease characterised by coordinated dysfunction across metabolic, renal, lipid, and inflammatory pathways. Existing clinical assessments often fail to capture this multi-dimensional burden. Methods: We conducted a retrospective study of 1,195 patients using routinely collected laboratory biomarkers. System-level abnormality indices were constructed to quantify organ-specific dysfunction, and multi-system involvement was defined as abnormalities in two or more systems. Supervised machine learning models, including logistic regression, random forest, and gradient boosting, were trained to predict multi-system dysregulation. Model interpretability was achieved using SHapley Additive exPlanations (SHAP). Results: The gradient boosting model demonstrated near-perfect discrimination (AUC = 1.000), significantly outperforming logistic regression (AUC = 0.925). Feature attribution analysis revealed that hyperglycaemia, renal impairment, dyslipidaemia, and inflammation were the dominant drivers of multi-system risk. Dose-response relationships observed in partial dependence analyses further supported the biological plausibility of model predictions. Conclusion: This study presents an interpretable, data-driven framework for quantifying systemic disease burden in T2DM. By linking routine biomarkers to multi-organ dysfunction, our approach provides both predictive accuracy and mechanistic insight, offering potential for improved risk stratification and precision medicine in diabetes care. The data and code used in this study are openly available on GitHub at: https://github.com/MiniHanWang/Type-2-Diabetes-1.git
Authors: Shogo Yamauchi, Tohru Nitta, Hideaki Tamori
Abstract: Quaternion neural networks are parameter-efficient and model multidimensional dependencies by representing four related features as a single entity. However, existing quaternion self-attention computes component-wise scores and applies independent softmax operations to each component, which increases the computational cost and allows attention distributions to diverge across components. We propose a shared-score quaternion self-attention mechanism that computes a single real-valued score using the quaternion inner product and applies a shared attention distribution across all components. This reduces score-computation multiplications by 75% and the number of softmax operations from four to one. We prove that, when queries and keys are produced by quaternion linear projections that induce component pre-mixing, the component-wise and shared scores lie in the same interaction subspace, indicating that independent component-wise attention primarily re-parameterizes the same interactions rather than expanding the feature interaction space. In speech enhancement, our method reduces inference time by up to 44.3% on a GPU and 58.1% on a CPU while maintaining quality, with consistent trends across vision and natural language processing.
Authors: Jamiyan Sukhbaatar, Satoshi Imamura, Toshihisa Tanaka
Abstract: A central challenge in electroencephalography (EEG) foundation modeling is learning transferable representations across recordings with diverse tasks, montages, references, and spectral characteristics. Existing masked modeling approaches often rely on broadband continuous patches or a single discrete representation, which may underrepresent frequency-specific activity. This paper proposes BandVQ, a band-wise vector-quantized EEG foundation model that decomposes EEG into delta, theta, alpha, beta, and gamma bands, trains an independent VQ-VAE tokenizer for each band, and pretrains a shared Transformer encoder on the resulting discrete VQ code indices. The encoder uses masked code tokens, quantized absolute log-power tokens, channel and temporal embeddings, and metadata prefix tokens representing reference, band, task family, and phase. Region-based masking is also introduced to reduce the trivial reconstruction of spatially adjacent electrodes. The model is pretrained on 71 public EEG corpora comprising over 9,200 subjects and 357,000 single-channel hours and evaluated on six subject-independent classification datasets. Under the current evaluation setting, the proposed model achieves strong transfer performance, with the highest reported results on three cognitive tasks and competitive performance on three motor imagery tasks.
Authors: Ziyue Chen, David \v{S}i\v{s}ka, Lukasz Szpruch
Abstract: We study the global convergence of policy gradient for infinite-horizon entropy-regularized Markov decision processes (MDPs) with continuous state and action spaces. We consider log-linear softmax policies with linear function approximation, which extend the tabular softmax parameterization while retaining a tractable policy class. Under $Q^\pi_\tau$-realizability for the regularized state-action value function, we first establish a non-uniform Polyak--{\L}ojasiewicz (P\L) inequality. The non-uniformity arises through degeneracy of constants associated with the policy geometry, namely the Fisher information matrix or an uncentered feature covariance matrix. We then identify two feature regimes under which this non-uniform constant can be bounded along the gradient flow. For full-affine-span features, we prove radial unboundedness of the KL regularizer and show that the smallest eigenvalue of the Fisher information matrix remains bounded below by an initialization-dependent positive constant. For simplex-valued features, we prove an analogous radial unboundedness result in the subspace orthogonal to the all-ones vector and obtain a uniform lower bound for the smallest eigenvalue of the uncentered covariance matrix. These results imply global linear convergence of the regularized objective along the gradient flow, i.e. suboptimality decaying as $\mathcal{O}(e^{-Ct})$ for some $C>0$. Our analysis extends the global convergence theory of entropy-regularized softmax policy gradient beyond the tabular setting of Agarwal et al. (2020); Bhandari and Russo (2024); Mei et al. (2020).
Authors: Narmeen Oozeer, Shivam Raval, Philip Quirke, Manikandan Ravikiran, Jeff Phillips, Shriyash Upadhyay, Amirali Abdullah
Abstract: Steering a language model - intervening on its internal activations to change downstream behaviour - has recently expanded beyond linear interpolation to nonlinear methods such as angular and kernelized steering, which define intervention transformations without learning an explicit geometry over paths in activation space. Freshly introduced geometry-aware manifold methods do learn such a geometry, but require labelled class centroids together with prescribed cyclic or sequential structure. These assumptions restrict where manifold steering can be applied, since existing constructions require labelled centroids and compatible boundary conditions. We recast manifold steering more broadly as \textbf{Riemannian geodesic computation} on activation space, recovering linear and labelled-spline steering as geodesics under particular choices of metric. A principled metric within this framework is the output-space Hellinger distance pulled back to activations; we approximate this with a learned encoder trained on output distances over a small concept-token schema - no per-prompt labels, no topology prior, and no per-task curve fitting. Empirically, the method reliably drives the model onto the target class across all tasks in a standard four-task language-model arithmetic benchmark, while following more behaviourally natural trajectories than baselines on smaller output spaces. We thereby provide a unified Riemannian framework for manifold steering together with a schema-supervised, label-free instantiation that operates without labelled centroids or prescribed boundary conditions.
Authors: Ruize Li, Zhibin Wen, Tao Han, Hao Chen, Fenghua Ling, Wei Zhang, Song Guo, Lei Bai
Abstract: Accurate evaluation of weather forecasting models is critical for their reliable deployment in real-world applications. However, existing benchmarks predominantly rely on reanalysis products such as ERA5, which are generated through delayed data assimilation and do not reflect the constraints of real-time operational forecasting, thereby resulting in a systematic mismatch between benchmark performance and real-world forecasting. In this work, we introduce RealBench, a next-generation benchmark for AI weather forecasting that emphasizes realistic evaluation under operational conditions. RealBench features a strictly out-of-distribution test set spanning 2025 to eliminate data leakage and capture recent atmospheric regimes. It integrates multiple data sources, including low-latency operational analysis and a large-scale global in-situ observation dataset comprising over 10,000 stations, enabling direct evaluation against real atmospheric measurements. Beyond standard global metrics, RealBench provides a comprehensive evaluation framework for high-impact extreme events, including heatwaves, cold surges, and tropical cyclones, using event-specific metrics that better reflect real-world forecasting priorities. The evaluation results reveal substantial discrepancies between reanalysis-based metrics and real-world performance, particularly concerning extreme events. By highlighting the limitations of existing benchmarks, this work establishes a more faithful and operationally relevant evaluation paradigm, providing a rigorous foundation for advancing next-generation AI weather forecasting systems. The benchmark implementation is available at: https://github.com/lixruize-del/NWP-Benchmark.
Authors: Da Zhang, Bingyu Li, Zhiyuan Zhao, Hongyuan Zhang, Junyu Gao, Xuelong Li
Abstract: Medical time series are central to healthcare, enabling continuous monitoring and supporting timely clinical decisions. Despite recent progress, existing methods struggle to jointly model local-global dynamics and handle nonstationarities like baseline drift, while often failing to capture latent channel interactions. To address these challenges, we propose MedMamba, an end-to-end architecture that integrates state space models with domain-specific inductive biases. Specifically, MedMamba first employs multi-scale convolutional embeddings to capture discriminative local morphology. Second, to mitigate nonstationarity, we introduce a tri-branch differential state space encoder that processes raw, temporal-difference, and frequency-domain views, fusing them to emphasize informative patterns while suppressing drift. Furthermore, to uncover latent channel correlations, we design a spatial graph Mamba module that learns a directed dependency structure regularized toward sparsity and acyclicity, which obviates the need for predefined graphs. Extensive experiments on five real-world datasets demonstrate that MedMamba achieves state-of-the-art performance while maintaining linear computational complexity, and ablation studies validate each component's contribution.Code is available at https://github.com/zhangda1018/MedMamba.
Authors: Chang Chu, Qingyue Zhang, Shao-Lun Huang, Junxiong Zheng
Abstract: Long-tailed recognition suffers from a persistent head--tail trade-off: improving tail performance often degrades head accuracy and can increase training instability. Despite strong empirical results from re-weighting, decoupled training, and multi-expert methods, key design choices about representation sharing between head and tail classes and supervision weighting across class groups remain largely heuristic. In this work, we propose OSDTW, a principled task-decomposition framework that partitions the original single-label recognition problem into a head task and a tail task, implemented with a shared encoder and task-specific decoders. To handle the mutual exclusivity and statistical dependence between the two label groups, we introduce a factorized model and show that the resulting Kullback--Leibler divergence-based generalization error can be written as the sum of task-wise terms up to an additive constant, yielding a well-defined task-wise objective. We further develop a three-stage training pipeline: independent task training to estimate task-wise optima and the Fisher information matrix, weighted joint training to learn a shared encoder, and branch assembly to construct the final decoupled model. Under a block-diagonal Fisher approximation, we derive a computable second-order expansion of the expected generalization error, decomposing it into encoder variance, encoder bias, and decoder variance. This bias--variance decomposition provides a computable proxy to select the shared depth and task weights, enabling efficient hyper-parameter search. Experiments on standard long-tailed benchmarks demonstrate the effectiveness of the proposed approach over strong baselines.
Authors: Hongjiang Chen, Pengfei Jiao, Ming Du, Xuan Guo, Zhidong Zhao, Di Jin, Xiao Liu
Abstract: The growing interest in Temporal Graph Neural Networks (TGNNs) stems from their ability to model complex dynamics and deliver superior performance. However, TGNNs encounter fundamental challenges in capturing long-term dependencies and identifying periodic patterns. To address these limitations, we propose TGFormer, a novel Transformer architecture specifically designed for temporal graphs. Our model redefines temporal graph learning by establishing a trajectory framework that aligns with time series analysis principles. This approach allows TGFormer to derive node representations through systematic analysis of historical interactions, enabling granular examination of node relationships across sequential timestamps. Building upon stochastic process theory, we develop an auto-correlation mechanism that systematically uncovers periodic dependencies in node interactions. This innovation empowers TGFormer to perform dependency discovery and representation aggregation at sub-interaction levels, demonstrating superior efficiency and accuracy compared to conventional attention mechanisms. Experimental validation across six public benchmarks confirms the effectiveness of our approach, with TGFormer at most achieving 9.35\% precision improvement compared to state-of-the-art approaches.
Authors: Sol Erika Boman
Abstract: Conformal prediction is a useful and versatile alternative to model calibration in machine learning classification. It replaces single-class prediction with prediction sets, guaranteeing that the \textit{a priori} probability of the prediction sets containing the true class is larger than or equal to a pre-specified rate. The size and usefulness of the prediction sets relies heavily on the choice of the non-conformity score function. The scientific literature contains many examples of non-conformity score functions but there is an absence of studies examining their properties and effectiveness. In this paper, we give an overview of properties of non-conformity score functions. We give examples of non-conformity score functions in the existing literature and introduce original modifications. We introduce an original method of evaluating the prediction set sizes of conformal predictors and use it to provide a comparison between non-conformity score functions. We also examine efficacy of different non-conformity score functions for class-conditional conformal prediction in a setting with imbalanced classes.
Authors: Moyu Zhang, Yun Chen, Yujun Jin, Jinxin Hu, Yu Zhang, Xiaoyi Zeng
Abstract: Scaling test-time compute has proven highly effective for language models, yet this opportunity remains largely unexplored for industrial Click-Through Rate (CTR) prediction. CTR models suffer from a fundamental asymmetry: feature combinations well-represented in training yield confident predictions, while sparsely observed ones produce unreliable outputs. Existing training-phase solutions such as adaptive gating learn a fixed selection function subject to the same sparsity, offering no per-instance recourse at deployment.We propose UTTSI (Uncertainty-Triggered Test-Time Selective Inference), a training-free model-agnostic framework that scales inference depth proportionally to per-instance uncertainty. A dual-signal estimator combining model logit confidence with a data-level frequency prior distinguishes epistemic uncertainty from aleatoric ambiguity. Every instance undergoes adaptive feature filtering to remove unreliable embeddings; uncertain instances additionally receive stochastic feature-path explorations whose predictions are aggregated via consistency-weighted ensembling. Confident instances bypass exploration entirely, keeping average overhead at approximately $2.8\times$ base model cost with worst-case latency unchanged.Experiments on four datasets with three backbone architectures demonstrate consistent, statistically significant gains over all training-phase baselines. A seven-day online A/B test further confirms a 5.3% relative CTR gain ($p < 0.01$), establishing selective test-time compute allocation as a practical complement to training-phase advances for CTR prediction.
Authors: Yichen Luo, Peiyu Zhu, Dongxiao Hu, Jia Wang, Tailin Wu, Dapeng Lan, Yu Liu, Zhibo Pang
Abstract: While Physics-Informed Neural Networks (PINNs) are powerful for solving Partial Differential Equations (PDEs), their training is often paralyzed by gradient pathology. The gradients from the PDE residuals and boundary constraints oppose each other, trapping the model in local minima. Current solutions, such as adaptive weighting or hard constraints, either fail to fundamentally resolve this ill-conditioning or are limited to simple geometries. In this study, we systematically analyze the possible causes of this gradient pathology from the perspectives of loss landscapes and optimization dynamics. Based on the obtained conclusion, we propose Constraint-Aligned loss with Manifold Lifting (CAML). By reformulating all zeroth-order terms into aligned constraints, our method effectively mitigates gradient conflicts. In addition, we introduce a delay factor to help the optimizer skip the high-curvature area. Experiments demonstrate that our CAML significantly enhances numerical stability and efficiency in highly complex PINN problems. Our code is open-sourced on https://github.com/YichenLuo-0/CAML.
Authors: Qishen Zhou, Yifan Zhang, Michail A. Makridis, Anastasios Kouvelas, Yibing Wang, Simon Hu
Abstract: Inferring network-wide traffic states from sparse observations with high accuracy and trustworthy uncertainty quantification is essential for intelligent transportation systems, yet it remains challenging due to the underdetermined nature of the problem, multifaceted disturbances in sensing networks, and the inherent conflicts among multiple inference sub-tasks when modeled jointly. We propose the Task-Aware Attentive Neural Process (TA-ANP), a unified probabilistic framework for resilient and trustworthy global traffic state inference (GTSI) by fusing floating car data (FCD) with sparse fixed-detector measurements. By casting GTSI as a stochastic process, TA-ANP leverages the meta-learning properties of neural processes to adapt rapidly to changes in sensing configurations without retraining. A task-aware multi-query attention module with distinct spatiotemporal inductive biases is introduced to jointly handle three GTSI sub-tasks, while mitigating cross-task interference. For uncertainty quantification, we combine neural processes with Monte Carlo Dropout to capture both aleatoric and epistemic uncertainty. To support metropolis-scale evaluation, we construct the Metropolitan Multi-Source Traffic Dataset (MMTD), integrating fixed-loop sensor measurements, FCD statistics, and OpenStreetMap road-network data over an urban network of 2,371 road segments. Experiments on MMTD show that TA-ANP achieves state-of-the-art performance across all sub-tasks under deterministic and probabilistic metrics. The resulting well-calibrated uncertainties enable more efficient fixed-sensor placement with fewer sensor deployments. Under a Damage-Repair-Addition sensing lifecycle, TA-ANP demonstrates superior resilience in terms of disturbance absorption, performance recovery, and adaptability to unseen sensing configurations.
Authors: Shruti Mishra, Michael Chang, Vamsi Spandan, Shmuel M. Rubinstein
Abstract: We consider the challenge of developing agents that efficiently interact with high-dimensional, evolving environments, towards a view of practical reinforcement learning (RL) agents interacting with open worlds, of which they witness and affect only a small part. We argue that canonical fluid mechanics problems, and their simulations, present a compelling testbed for the development of such methods. These problems arise in nonlinear instabilities, where small disturbances can grow to transform the dynamics of a system. Nonlinear instabilities represent several open scientific challenges with industrial applications -- the droplet breakup of a liquid jet, mixing at an interface between two fluids, and the appearance of unusually tall rogue waves in the ocean. In these settings, agents may leverage preserved representations across the changing dynamics to learn efficiently. We present two problem descriptions of agents interacting with a fluid mechanical environment, and describe the state and action spaces, and reward functions, for these agents. For these examples, we specify the aspects of the environment which are nonstationary and the preserved invariances. We note Dedalus and JAX-CFD as open-source simulators that can be used for the development of reinforcement learning methods (Burns et al., 2016; Kochkov et al., 2021)) We demonstrate the use of Dedalus for environment generation by creating RL agents that learn to navigate in a stationary environment that is simulated using Dedalus. This sets the stage for future development of RL agents that learn to meaningfully interact with simulated environments that represent scientific challenges in natural and industrial flows.
Authors: Magnus Samuelsen, Wilmer Nystr\"om, Somnath Mazumdar, Mansoor Hussain, Mikkel Strange
Abstract: Retrieval-augmented generation (RAG) systems offer a promising approach to reduce hallucinations and improve answer accuracy in large language models (LLMs), a requirement for reliable, financial analysis where answers must be grounded in verifiable evidence from filings rather than generated from model priors. However, designing RAG systems that extract meaningful insights from mixed financial documents and integrate into analyst workflows remains challenging. This paper introduces MimirRAG (Metadata-Integrated Multi-Agent Information Retrieval), a multi-agent RAG system developed iteratively to address these challenges. MimirRAG features a modular pipeline encompassing structure-preserving parsing of PDF filings, table-aware chunking, metadata extraction, agent-based retrieval with query planning and hybrid search, validation, and context-aware generation with numerical reasoning support. Our ablation study identifies three key technical enablers for effective financial RAG: metadata integration, table-aware chunking, and an agentic workflow. MimirRAG was evaluated quantitatively using FinanceBench and qualitatively through expert validation with four financial analysts. The system achieved 89.3% accuracy on FinanceBench, outperforming the original benchmark baselines. Expert feedback highlighted that successful deployment also requires calibrated trust, comprehensive data integration, and user personalization. We conclude that combining multi-agent RAG architecture with human-centric design principles can improve the extraction of meaningful insights in financial analysis.
Authors: Ayush K. Varshney, Konstantinos Vandikas, \v{S}ar\=unas Girdzijauskas, Adam Orucu, Aneta Vulgarakis Feljan
Abstract: Deploying deep neural networks on resource-constrained 6G edge devices demands aggressive compression with minimal accuracy loss. Quantization-Aware Training (QAT) has emerged as a leading compression approach; however, existing mixed-precision methods typically operate at coarse layer- or channel-level granularity. These methods often rely on heuristic or search-based bit-allocation strategies, which may overlook fine-grained variability at the neuron level. We propose Neuron-Level Mixed-Precision QAT (NMP-QAT), where each neuron independently learns its own discrete precision during training. Starting from low-bit precision, NMP-QAT expands bit-width only when training signals demand it, via differentiable surrogates and straight-through estimators, while preserving a fully discrete inference graph. This adaptability extends to both weights and activations, reducing memory movement. Evaluated on telecom and non-telecom datasets across MLP and tabular foundation model architectures, NMP-QAT achieves superior compression-accuracy trade-offs over mixed-precision QAT baselines, making it well-suited for Green AI deployments at the network edge.
Authors: Ziyi Wang, Dongyang Kuang
Abstract: EEG-based emotion recognition holds significant promise for objective diagnosis of mood disorders. Graph neural networks (GNNs) have emerged as the dominant paradigm for modeling inter-channel dependencies in EEG, yet existing approaches rely on symmetric adjacency matrices derived from spatial proximity or functional correlations that fundamentally capture statistical associations rather than directed causal influences, which conflicts with the inherently asymmetric, causally-driven nature of neural information flow. To bridge this gap, we propose GL-LFGNN, a Global-Local Dual-branch Causal Graph Neural Network grounded in Liang-Kleeman information flow theory. Unlike Granger causality that merely assesses temporal precedence, our approach rigorously quantifies causal strength from a dynamical systems perspective, yielding neurophysiologically interpretable directed graphs. A dual-branch architecture further integrates whole-brain connectivity with region-specific processing aligned to established functional neuroanatomy. On the MEEG dataset, GL-LFGNN achieves 86.17% (Arousal) and 86.71% (Valence) accuracy with only 37K parameters -- approximately 10% of the current state-of-the-art -- demonstrating that principled causal modeling can simultaneously enhance interpretability, generalization, and computational efficiency. Code will be released.
Authors: Xian Wu, Haoran Li, Dongbin Zhao, Ruiyao Zhang, Yuanqi Chu, Bin Wang
Abstract: Reinforcement learning offers a promising approach for scan-order optimisation in laser additive manufacturing, where sequential scan decisions critically influence thermal accumulation, residual stress, distortion, and final part quality. A central challenge in applying RL to this domain lies in reward and world-model fidelity: full finite-element analysis is computationally prohibitive for dense in-the-loop evaluation, while cheap thermo-inspired proxy metrics, though efficient, may capture only partial aspects of the true thermo-mechanical objectives. This paper investigates a bilevel Proxy--FEA diagnostic framework for reward and world-model diagnosis in reinforcement-learning-guided scan-order optimisation. The lower level employs lightweight scan-path and thermo-inspired proxies for rapid candidate generation and preliminary policy-side screening, while the upper level utilises sparse Abaqus FEA simulations to provide simulation-based reference labels. The framework is examined on a simplified whole-track heating LDED32 stripe benchmark comprising ten representative scan strategies. Final-cooling residual Mises stress, U3 vertical distortion, and PEEQ plasticity metrics reveal an observed stress--distortion trade-off rather than a single monotonic quality objective. Within the evaluated set, the center_out strategy emerges as a robust compromise candidate, while raster_left_to_right and edge_in form opposing endpoints of the trade-off. Proxy--FEA alignment analysis shows that current cheap path-based metrics predominantly capture distortion-related (U3) behaviour and exhibit only weak correlation with the sparse FEA reference labels. These findings highlight that proxy-only reward designs risk misalignment in future RL training and underscore the value of sparse FEA reference signals for diagnostic-guided reward and world-model refinement prior to large-scale policy optimisation.
Authors: Jules Berman, Tobias Blickhan, Benjamin Peherstorfer
Abstract: Existing work on population dynamics inference often focuses on flows arising from vector fields that are the gradients of scalar potentials. Among all admissible flows that are compatible with the population dynamics, gradient flows are optimal in a specific sense: they minimize kinetic energy. The selection of fields based on different criteria corresponds to a gauge freedom when determining population dynamics, which we leverage in this work. We propose Non-Gradient Inference Flows (NGIF), an algorithm to infer non-gradient population dynamics using a weak formulation of the continuity equation. This allows us to parameterize general vector fields and choose other selection criteria beyond minimal kinetic energy. We demonstrate on a variety of low- and high-dimensional physics problems that this more general approach improves distributional accuracy over gradient-restricted baselines and better captures non-potential transport.
Authors: Zichao Yue, Zhiru Zhang
Abstract: Pre-propagation graph neural networks (PPGNNs) decouple node feature propagation from transformation: graph diffusion is performed once as preprocessing, and training reduces to dense per-node transformations. This design enables mini-batch training without inter-node dependencies, avoids repeated sparse matrix--matrix multiplications, and better matches modern accelerators optimized for dense compute. However, their expressivity remains unclear, and empirical results show a gap between PPGNNs and their message-passing counterparts on commonly used graph benchmarks, especially heterophilic ones. In this paper, we propose a suite of robust graph diffusion operators for preprocessing and a few-shot hidden-state re-propagation scheme during training. Our methods improve the validation and test accuracy of PPGNNs, enabling them to match the accuracy of message-passing GNNs while maintaining training efficiency.
Authors: Anuj Kumar, Josiah Bjorgaard, Nikolaos Bouklas, Matteo Salvador, Alexander Lavin
Abstract: We introduce "Courant", a Perceiver-based encoder-processor-decoder surrogate model that has latent features exhibiting adaptive specialization and local support in the physical space, enabling functionality akin to an adaptive hp-refinement scheme, an attribute that is highly desirable in traditional numerical solvers and scientific machine learning broadly. The proposed architecture combines a shared random Fourier feature coordinate embedding, state-adapted latent queries, and a light-weight decoder. Courant is trained end-to-end with steady or transient simulation data and only a standard L_2 prediction loss in the physical space, achieving competitive accuracy on benchmarks. We demonstrate that Courant's inductive biases yield latents that are interpretable by design: they develop multiscale geometric specialization in the simulation domain and track coherent structures in the time-dependent case, acting analogously to time-evolving spatial basis functions and allowing for decoding a compact, geometry-anchored, partition-of-unity-like decomposition of the simulated field.
Authors: Weixin Wang, Yu Yang, Wei Deng, Pan Xu
Abstract: We study inference-time alignment for diffusion-based generative models, aiming to steer a base model toward high-reward outputs without updating its weights. Recent Sequential Monte Carlo (SMC)-based steering methods approximate reward-tilted target distributions in a principled way, but their proposals remain largely tied to the base sampler. Since reward information is mainly used after propagation through particle reweighting and resampling, these methods can require large particle budgets and suffer from weight degeneracy and high-variance estimates. One way to reduce variance and improve particle efficiency is to iteratively learn twisting functions that provide look-ahead guidance, as in twisted SMC. However, existing learnable twisting methods are developed mainly for classical sequential inference and can be unstable when applied to diffusion-based alignment with high-dimensional state spaces and terminal, noisy, or black-box rewards. We propose Trust-Region Iterative Twisted Sequential Monte Carlo (TRI-TSMC), a trust-region framework for learning twisting functions in SMC-based inference-time alignment. Each iteration computes an exact KL-constrained update in path space, which admits a closed-form solution by tempered importance reweighting, and projects this target back to the parameterized twisted family by weighted maximum likelihood. Theoretically, we formalize the value-function interpretation of the optimal twisting function and show that it yields a zero-variance sampler. We prove that the trust-region update follows an escort path toward the target distribution, that the weighted maximum-likelihood update is a forward-KL projection, and that the path reduces residual importance-weight variance. Empirically, TRI-TSMC improves primary alignment objectives on discrete diffusion text generation and text-to-image generation under matched inference-time budgets.
Authors: Cassandra Mussard, St\'ephane Mussard
Abstract: The Gini Multidimensional Scaling (Gini MDS) framework extends the Euclidean multidimensional scaling. We introduce a Gini pseudo-distance based on values and their ranks that depends on a fine-tunable hyperparameter. This pseudo-distance allows flexible exploration of latent configurations, enabling embeddings that best match observed dissimilarities. The Gini MDS is shown to be robust to noise and outliers, making it well-suited for real-world applications. We provide experiments on 16 UCI datasets with outliers and on MNIST images with noise to show that the Gini MDS outperforms the Euclidean MDS on noisy data. Finally, a tensor-based implementation in \texttt{PyTorch} provides GPU acceleration and efficient computation compared to the standard MDS of the \texttt{sklearn} library.
Authors: Yudong W. Xu, Wenhao Li, Xiaoyu Wang, Scott Sanner, Elias B. Khalil
Abstract: Diffusion models have shown promise in learning to solve constraint optimization problems. However, they are mostly restricted to problems with binary variables and rely on graph neural networks, hindering their application to a broader range of problems such as those with general discrete variables or constraint structures that necessitate global rather than local reasoning. We investigate the use of Diffusion Transformers to address the aforementioned limitations. A naive implementation performs poorly due to a fundamental mismatch between the standard diffusion process and constraint solving: while the former applies small, incremental denoising across all variables, the latter requires substantially altering specific subsets of variables to attain feasibility or optimality. Our method, Blocked Gibbs Diffusion Transformer (BloGDiT), is the first to address this limitation by replacing standard joint Gaussian denoising with blocked Gaussian denoising. BloGDiT uses iterative block resampling and anneals the block size over time to facilitate large, targeted edits within a block of variables. Across Sudoku, Graph Coloring, Maximum Independent Set, and MaxCut, BloGDiT matches or outperforms existing methods, demonstrating that blocked Gibbs-style diffusion provides a highly effective inductive bias for Transformer-based constraint satisfaction and optimization.
Authors: Huangyu Xu, Jingqin Yang, Qianqian Xu, Jiaye Teng
Abstract: Sparse optimization is a fundamental challenge in various practical applications. A popular approach to sparse optimization is $\ell_p$ regularization. However, it may encounter optimization instability due to the unbounded gradients when $0
Authors: Rai Ali Yar, Umaisa Lail, Anwar Shah
Abstract: Anomaly detection in Industrial Internet of Things (IIoT) environments is essential to protect the Industrial Control Systems (ICS) and Cyber-Physical Systems (CPS) from occuring run time false data injection and other malicious attacks. The increasing complexity of sensor networks and interconnected control loops makes it difficult to identify anomalous behavior hidden within high-dimensional and time-dependent signals. To address these challenges, this article introduces Adaptive Spatio-Temporal Reinforcement Optimization ASTRO (ASTRO), a novel anomaly detection framework that pioneers the use of reinforcement learning for dynamic threshold optimization. By integrating a Deep Q-Network (DQN) with Graph Neural Networks (GNNs), temporal modelling and a Multi-Head Attention mechanism, ASTRO continuously adapts its decision boundaries to improve detection accuracy. The GNN component models the spatial relations among sensors, Temporal model captures time series dependencies and the attention layer highlights most informative time steps. The model generates continuous anomaly scores, which are transformed into binary decisions using an adaptive threshold, optimized via a Deep Q-Network (DQN). The ASTRO approach is evaluated on two real world industrial benchmarks: the Secure Water Treatment (SWaT) and Water Distribution (WADI) datasets. The proposed model achieves an exceptional performance on the SWaT with F1 score of 0.990. Moreover, on highly complex 127 end devices WADI dataset, it secures F1 score of 0.788, outperforming state-of-the-art baselines by nearly 14%. Results across multiple runs confirm consistent generalization and stability. These experiments demonstrate that the ASTRO framework is highly practical and scalable method for strengthening the large scale cyber physical infrastructures
Authors: Kasra Jalaldoust, Elias Bareinboum
Abstract: Prediction models trained under the source distribution do not generalize well to a different target distribution. A valid inference about an unseen data distribution must be anchored by the invariance of certain causal mechanisms that generate the source and target data, however, these structural invariances are non-identifiable from the source data alone. Under mild causal assumptions about the data, we show that the optimal prediction in the target is in fact partially identifiable by the source distribution. The result rests on a simple observation: In any domain, the optimal prediction can be factorized into what we call a pair of abduction and deduction maps, where the abduction map makes inference about some unobserved variables (possibly confounders) from the observed variables and the deduction map predicts the label using both the observed and inferred quantities. Access to large source data pins down the optimal prediction, thus constrains the valid abduction-deduction ensembles that produce it -- a non-identifiability that we call the abduction-deduction entanglement. To leverage this, we parameterize the constrained family using what we call a representation transplant, that is a specific linear transformation in the representation space that manipulates the abduction content of the representation while retaining the deduction component. Invariance of the causal mechanism generating the label implies existence of an invariant deduction map between source and target. Thus, we can search the space of plausible target distributions via a parametric transplant. We use this scheme in a learner-adversary game that, under an idealistic optimization, provably terminates with the learner having the minimax-optimal target prediction. Evaluations verify the theory, showing that the method is competitive in DG benchmarks.
Authors: Rui Wang, Renhao Xue, Ray Razi, Huan Song, Hannah R. Marlowe
Abstract: Time series forecasting models are increasingly scaled through large Transformer backbones, yet most existing approaches process all series through a shared dense computation path despite substantial heterogeneity in temporal structure. Mixture-of-Experts (MoE) offers a natural alternative by enabling conditional computation, but standard MoE routing leaves expert specialization weakly identified and often unstable during downstream adaptation. We propose AME-TS, a structure-guided sparse time series foundation model that aligns expert routing with interpretable temporal structure. AME-TS first uses a lightweight regime predictor to estimate series-level descriptors, including forecastability, seasonality, trend, and sparsity, and maps them to a soft structural prior over experts. This series-level prior guides token-level routing during training, encouraging structure-aligned specialization. On the GIFT-Eval benchmark, AME-TS delivers a strong accuracy-efficiency tradeoff across model scales: it substantially outperforms existing time series foundation models at small model scales and remains competitive with the strongest models at larger scales, while activating substantially fewer parameters through sparse routing. We further show that AME-TS learns more interpretable routing geometry and substantially more stable expert specialization than standard MoE during fine-tuning on the M5 dataset. These results suggest that structure-aware routing is an effective and reliable way to realize the benefits of sparse expert models for time series forecasting.
Authors: JungHo Lee, Johnna Sundberg, Pim Welle, Bryan Wilder
Abstract: Public service programs often allocate limited resources under uncertainty about their benefits, creating a need for randomization to support credible evaluation. In practice, however, applicants commonly enter waitlists where resources are prioritized toward individuals judged to have higher need through tiered priority queues, making direct randomization difficult. Motivated by this, we develop an experimental design framework for learning treatment effects while treating those most in need where incoming applicants are randomized into priority queues based on their assessed risk scores. Treatments are then provided across queues in priority order and first-in-first-out within queue as budget becomes available. Our contributions are two-fold. First, we characterize what causal effects are identified under this priority-queue allocation. When arrivals are exogenous, treatments are conditionally randomized, and hence standard estimands are identified; when arrivals are endogenous, queue randomization instead provides an instrument for treatment, identifying local treatment effects induced by the queuing process. Second, we develop optimized queue-assignment designs that trade off statistical efficiency against prioritizing higher-need applicants. We show in the process that, despite dependence in treatment assignments induced by the design, usual iid efficiency bounds remain well-justified design objectives. We illustrate the proposed designs using data from a housing allocation program in a large U.S. county.
Authors: Kordel K. France, Ovidiu Daescu
Abstract: Training data for olfaction is scattered through disparate, non-standardized datasets that limit the ability to build representative world models. Olfactory navigation is a highly dynamic and non-stationary task that benefits from real-time continual learning. We introduce an adaptive framework called Grow-Prune-Freeze (GPF) networks that enable an agent to continually learn through growing, pruning, and freezing early layers of its policy in response to world complexity. Grounding GPFs in non-linear random matrix theory, we show that the work of Pennington & Worth (2017) can be extended from single hidden layers to n-layer continual-learning models, and that eigenvalue composition of network weights is preserved as successive layers are added. We show that GPFs based on Expected SARSA achieve a 94% success rate on turbulent plume navigation - a partially observable, non-stationary task representative of the "big world" challenges that motivate adaptive learning in robotics - and provide supporting methodology for applying GPFs in other world models. Further experiments amount evidence that GPFs may generalize well to other machine learning tasks such as reinforcement learning in Atari, image classification, and autoregressive language models. We open source all code and data to encourage improvements on and more research in olfactory robotics.
Authors: Wenlong Deng, Jiaji Huang, Kaan Ozkara, Yushu Li, Christos Thrampoulidis, Xiaoxiao Li, Youngsuk Park
Abstract: Reward hacking arises when a model improves a proxy reward by exploiting shortcuts rather than solving the intended task. We study this failure mode through the geometry of reinforcement learning updates in language models and argue that hacking emerges when optimization drifts away from a stable low-dimensional learning trajectory. We analyze this drift through dominant singular directions of parameter updates and show that reward-hacking runs exhibit substantially larger directional change than clean runs. Motivated by this observation, we introduce trusted-direction projection, which constrains gradients to remain within a clean reference subspace. Across reward-hacking experiments on mathematical reasoning, the proposed approach delays shortcut exploitation and better preserves task performance.
Authors: Dongpeng Zhang, Ke Ma, Yangbangyan Jiang, Gaozheng Pei, Longtao Huang, Qianqian Xu, Qingming Huang
Abstract: Adversarial images pose a severe security threat to multimodal large language models through prompt injection. Existing defenses largely lack a principled understanding of the underlying mechanisms and struggle to balance efficiency and defense utility. In this work, we show that successful adversarial attacks do not rely on the entire image uniformly but instead depend on a small subset of critical image tokens. Based on this insight, we propose Gradient Token Masking (GTM), which localizes these tokens via gradient analysis and neutralizes them through masking. We find that attribution based on the first generated token's output probability fails when attacks preserve the predicted token. To overcome this, GTM utilizes the Hidden-State Gradient Norm score for generation-influence attribution under adversarial inputs. We prove that its ranking is consistent with that of the full adversarial loss gradient, providing a theoretical guarantee for accurate localization. Our method requires only a single forward-backward pass to identify and zero out a small number of high-scoring tokens, effectively disrupting the adversarial attack path. Extensive experiments on prompt injection and multimodal jailbreak attacks demonstrate that our approach reduces attack success rates (ASR) to near zero while preserving model utility with negligible computational overhead.
Authors: Ruitao Liu, Qinghao Hu, Alex Hu, Yecheng Wu, Shang Yang, Luke J. Huang, Zhuoyang Zhang, Han Cai, Song Han
Abstract: Reinforcement learning with verifiable rewards (RLVR) has become a powerful paradigm for improving language models on reasoning-intensive tasks, but its effectiveness is often limited by exploration. For example, models often fail on hard problems, leaving little useful reward signal. External expert traces offer a natural source of guidance, yet they may also expose reward-relevant content along the critical path to the verifier target, such as final answers, intermediate values, executable implementations, or answer-related entities. This content can create an unintended reward hacking channel, allowing the policy to obtain reward by copying the trace rather than learning the underlying reasoning or agentic behavior. Existing guided-RL methods reduce this risk by using partial trajectories, but they mainly control how much expert information is shown heuristically rather than which parts should be hidden. To this end, we propose Semantic Masked Expert Policy Optimization (SMEPO), a fine-grained semantic masking strategy for expert-guided RLVR. Instead of truncating traces coarsely or revealing them unchanged, SMEPO masks reward-relevant semantic spans along the critical path while preserving the expert's decomposition, plan, and procedural structure. This turns hard problems from reasoning from scratch into a fill-in-the-blank process: the policy can follow the expert's problem-solving route, but must still reconstruct the missing values, code, or entities by itself. SMEPO is simple to apply and requires no changes to the reward function or RL objective. Across diverse domains, including math, code, and agentic search, SMEPO improves accuracy by up to 3.2 points over GRPO and reduces training time by up to 4.2x. The code is available at https://github.com/mit-han-lab/SMEPO.
Authors: Gorgi Pavlov
Abstract: We apply the influence-adaptive Walsh geometry of a companion theory paper (arXiv:2605.01637) to extreme low-bit weight-only LLM quantization. The recipe is one math-invariant transformation: WHT-rotate each linear layer's weight matrix and rescale its columns by per-coordinate Walsh-basis activation energy before handing off to a reconstruction-error quantizer (Intel auto-round). This biases per-group integer rounding toward high-spectral-energy channels. On four pretrained decoder-only models from 135M to 1.5B parameters, BBT-spectral reduces wikitext-2 perplexity by 15-58% relative to vanilla auto-round at W2A16; we also report a TinyLlama-1.1B auxiliary data point. Three extensions transfer the recipe to families it failed on: a per-head PCA matrix-Gamma replacement of q_norm/k_norm for Qwen3 attention (PPL 136.76 -> 88.99 on Qwen3-0.6B); an SO(2) per-pair rotation that commutes with RoPE (PPL 36.93 -> 21.84 on Qwen2.5-1.5B); and an MoE-aware input-side absorption fix identified by architectural fuzzing of Laguna-style fused-expert layouts. A W2-vs-W4 ablation gives a deliberate negative control: the redistribution payoff falls within the +/-0.5 PPL noise floor at W4, consistent with the Schur-convexity intuition that the cost of unconcentrated influence vanishes as the noise budget shrinks. All quantized weights export to OpenVINO IR and run on Intel NPU + Arc dGPU + CPU with PPL invariant to device within +/-0.1. We do not claim a formal Boolean-to-real-valued transfer of the theory paper's majorization argument: the WHT activation energy used here is not the Boolean influence of the theory paper, the link is intuitive, and the contribution is engineering value rather than a transferred theorem. Head-to-head benchmarks against SpinQuant, QuaRot, QuIP-sharp, AQLM, OmniQuant, and ButterflyQuant at matched calibration are the main future-work item.
Authors: Ziheng Cheng, Yixiao Huang, Hanlin Zhu, Haoran Geng, Somayeh Sojoudi, Jitendra Malik, Pieter Abbeel, Xin Guo
Abstract: Diffusion models are increasingly used as powerful conditional generators, yet real deployments often involve multiple target distributions arising from different tasks, e.g., diverse prompt domains in text-to-image generation, or multiple environments in robotics with diffusion policies. This naturally leads to a multi-objective learning (MOL) problem. A key challenge is that achieving good Pareto trade-offs can require a generalist model class with substantially larger capacity than what suffices for solving any individual task, thereby increasing statistical cost since sample complexity typically scales with the model complexity. To reconcile this, we develop a principled MOL framework for diffusion models with limited data: a semi-supervised regime where paired (labeled) samples are scarce, but (unlabeled) condition data are abundant. We propose a two-stage training procedure that first fits lightweight specialist models from limited paired data, and then distills them into a generalist model by generating pseudo-samples. We establish generalization bounds showing that the required number of paired samples only depends on the complexity of the specialist model classes. We further extend the theory to diffusion policies for sequential decision making to account for distribution shift in on-policy rollouts. Extensive experiments on robotic control and image restoration tasks are conducted to verify our theoretical results.
Authors: Govind Vallabhasseri Binish, Abdhul Ahadh, Rano Roy Kavanal, Arya Ukunde
Abstract: Modern machine learning models excel at pattern recognition but remain brittle, often failing to generalize out of distribution (OOD) because they capture spurious correlations rather than the underlying causal data-generating process. Current causal discovery methods, while powerful, typically assume a static graph structure, rendering them unable to model systems that adapt or undergo structural changes across different environments. We introduce ECR-Net, Evolving Causal Regulatory Networks, a novel, bio-inspired framework for adaptive causal mechanism discovery. Our approach models the data-generating process not as a static graph, but as a dynamic system analogous to a Gene Regulatory Network (GRN), composed of localized, recursive functions where variables can activate and inhibit one another. To discover the latent structure of this network, we employ an evolutionary search algorithm that evolves a population of candidate regulatory graphs, optimizing for a fitness function that measures how well the simulated system dynamics reconstruct the observed data. The key innovation of ECR-Net is its ability to model structural adaptation, it explicitly ingests shifts in the data's statistical properties as signals of an environmental shock. In response, the evolutionary search identifies parsimonious modifications to the causal graph topology, such as link inhibitions or activations that explain the new data regime. We posit that ECR-Net represents a new class of adaptive Structural Causal Models capable of discovering how and why a system's fundamental rules change, offering a path toward robust generalization in complex, non-stationary systems.
Authors: Shiqian Guo, Jianqing Liu, Beatriz Lorenzo
Abstract: Federated learning (FL) is an effective paradigm for enhancing the learning capability of edge devices while preserving data privacy. In geographically dispersed FL systems, such as sensor networks in remote areas, unmanned aerial vehicles (UAVs) can flexibly establish high-quality communication links to support parameter exchange. However, device heterogeneity and the limited battery capacity of UAVs pose significant challenges. Specifically, data heterogeneity slows convergence, while scheduling all devices for global collaboration incurs excessive communication and energy costs. To overcome these challenges, we adopt a strict separation between a globally shared backbone and permanently local personalization heads, thereby mitigating the impact of data heterogeneity. Furthermore, we propose a gradient-based scheduling strategy that jointly considers energy efficiency and learning performance. In each communication round, the backbone is updated only by the top-$\alpha$ devices ranked by gradient $\ell_{2}$-norm, ensuring that optimization focuses on the most informative updates. Simulation results demonstrate that the proposed scheme achieves higher learning accuracy than state-of-the-art approaches while significantly reducing UAV energy consumption.
Authors: David N. Olivieri, Antonio F. P\'erez Rodr\'iguez
Abstract: Mechanistic interpretability often uses activation patching, causal tracing, path patching, and steering directions to reveal behaviorally meaningful directions in Transformer activation space. This paper develops a field-theoretic framework for organizing and predicting such interventions. Treating the residual stream as a depth-token field, we formulate patching as localized source insertion, patch effects as sensitivity-field predictions, downstream propagation as empirical Green-function response, and patch selection as an adjoint variational problem. Empirically, we test the forward response theory in GPT-2-style autoregressive Transformers by applying localized residual-field interventions and observing the induced residual-field differences and logit-difference responses. We identify a bounded local linear regime; predict patch effects from first-order sensitivities across residual sites; measure structured anisotropic propagation across depth and token position; construct response descriptions from high-sensitivity sites and sliced Green operators; and show that prompt-induced residual displacements can transfer answer behavior. These results establish response objects, namely sensitivities, propagated fields, and Green-operator slices, as a practical language for organizing patching experiments and as the forward mathematical basis for formulating patch-site inference and cross-scale transfer.formulated.
Authors: John Arthur Junior, Abdul Lateef Yussif, Maame G. Asante-Mensah, Charles R. Haruna, Sandro Amofa, Elliot Attipoe
Abstract: Concerns about algorithmic bias and fairness have increased as artificial intelligence has been incorporated into high-stakes decision-making. Traditional Naive Bayes classifiers, while efficient and interpretable, lack fairness-awareness mechanisms and perpetuate historical biases in sensitive domains such as hiring, credit scoring, and criminal justice. This study develops a fairness-aware extension of the Naive Bayes classifier that mitigates bias while maintaining computational efficiency. We propose the Bias Mitigating Naive Bayes (BMNB) classifier, integrating in-processing and post-processing interventions. The in-processing stage employs a blended likelihood approach combining group-specific and pooled likelihood estimates through a tunable blending parameter alpha to balance fairness and accuracy. The post-processing stage applies output calibration with adaptive thresholding to fine-tune group-specific decision boundaries. Experimental results indicate that BMNB attains Disparate Impact (DI) values of 1.000, 1.171, and 0.997 and Equal Opportunity Difference (EOD) values of -0.217, -0.226, and -0.053 on the Adult, ProPublica, and Framingham datasets, respectively, while maintaining computational efficiency. Ablation studies confirm that the combination of blended likelihood and adaptive thresholding yields superior performance compared to either technique in isolation.
Authors: David R\"ugamer
Abstract: Epistemic uncertainty is often viewed as a reducible uncertainty that vanishes with increasing data. This perspective implicitly assumes parameter identifiability and equates epistemic uncertainty with predictive variability. In overparametrized neural networks, however, model parameters are typically non-identifiable due to symmetries and redundant representations. As a consequence, substantial parameter uncertainty can persist even when the underlying function is fully identified. In this work, we analyze epistemic uncertainty through the lens of non-identifiability and characterize both discrete and continuous sources of residual uncertainty. Focusing on one-hidden-layer ReLU networks, we thoroughly analyze the resulting posterior structure and validate our theoretical insights through empirical studies.
Authors: Sohaib Lafifi
Abstract: We give an attribution method for neural combinatorial-optimisation (CO) policies that (i) decomposes a decision by constraint families via LP-relaxation duals, (ii) certifies counterfactuals through a combinatorial feasibility model (implemented as a CSP feasibility-decision model), and (iii) bounds the size of a PAC-sufficient explanation with a Bonferroni-corrected Hoeffding sufficient-subset test along a greedy ordering. Across three CO problems and three seeds, our LP-anchored $\Lambda$-attribution matches the CF-derived signal at 96.5% on CVRPTW (n_cert=344) and 77.2% on the Orienteering Problem (n_cert=281) vs 75.0% and 35.2% for proxy gradient (paired diffs +0.215 and +0.420; McNemar exact $p \le 10^{-14}$). In the rank-aligned regime of the Flexible Job-Shop Scheduling Problem, both backends agree on every CSP-certified flip (n_cert=59), confirming the no-gain prediction. Bonferroni-PAC subsets average 5.0 nodes per step ($M=70$, $\varepsilon=\delta=0.2$, $k_{\max}=25$). Reference implementation: https://github.com/sohaibafifi/neuro-co-cax
Authors: Ryo Mitsuhashi, Patrick Chen, Isabelle Tseng, Jasin Cekinmez, Addison J. Wu
Abstract: Reinforcement learning with verifiable rewards (RLVR) has become a standard paradigm for post-training language models, but in practice, verifiers are rarely perfect. Recent theoretical work predicts that verifier noise affects the rate of learning but not its final outcome, implying that sufficient compute should close any gap induced by imperfect supervision. We test this prediction empirically by post-training Qwen2.5 (0.5B, 1.5B) with GRPO on GSM8K while injecting controlled false-positive and false-negative noise into the binary correctness signal, and varying rollouts per prompt as a compute axis. In practice, the gap in validation accuracy persists under substantial compute scaling, with returns to compute that are sharply diminishing. We further find a structural asymmetry where false negatives monotonically degrade performance quicker than with false positives. These findings suggest verifier quality and training compute are not interchangeable, and that reducing false negatives is a more effective lever than scaling compute alone.
Authors: Minjae Kwon, Amir Moeini, Shangtong Zhang, Lu Feng
Abstract: Safe in-context reinforcement learning (ICRL) adapts online from interaction history without test-time parameter updates while controlling episode cost under a safety budget. Under out-of-distribution (OOD) deployment shifts, pretraining-only safe ICRL can give poor reward-safety tradeoffs because the remaining budget affects behavior only through frozen policy conditioning, not an explicit action-level check against predicted future cost. We propose a latent Q-Barrier shield that learns a context representation, latent dynamics, and an ensemble cost critic before deployment. Without parameter updates, the shield infers context from history and filters or softly reweights candidate actions using the remaining budget and predicted future cost. We prove a conditional, error-decomposed barrier-margin result: a Q-Barrier-satisfying action leaves the next latent-budget state with an approximately budget-safe continuation under the learned critic, up to Bellman and latent-prediction errors. Across five safe ICRL benchmarks, the shield improves deployment-time reward-safety tradeoffs over a strong safe-ICRL baseline: after a short context window, it achieves higher return in four of five benchmarks while matching or lowering average episode cost in all five.
Authors: Ruchirinkil Marreddy, Chaoyue Liu
Abstract: The Neural Tangent Kernel (NTK) framework explains optimization in over-parameterized neural networks via approximately linearized dynamics, yielding exponential convergence guarantees. However, existing results are often overly pessimistic and do not match the fast training in practice, as they depend on the smallest NTK eigenvalue, which is typically extremely small in practice. In this work, we develop sharper convergence guarantees by characterizing the interaction between data labels and the NTK eigen-spectrum. We identify two key phenomena, Label-NTK alignment and Residual-NTK alignment, showing that projections of labels and residuals onto NTK eigenvectors scale with the corresponding eigenvalues. We provide empirical evidence and theoretical justification under mild data assumptions. Exploiting these alignment properties, we derive a refined convergence bound that depends on the full spectrum and closely matches practical training dynamics, significantly improving over classical worst-case results. We further obtain improved generalization bounds. Experiments on MLPs and CNNs across multiple datasets validate our theory.
Authors: Aditya Sridhar
Abstract: Concept Bottleneck Models (CBMs) have emerged as a cornerstone approach for interpretable machine learning, providing human-understandable intermediate representations through explicit concept activations. However, this interpretability fundamentally introduces a critical, previously unexplored attack surface: the concept bottleneck layer itself. We present a comprehensive, systematic study of concept-level adversarial vulnerabilities in CBMs, revealing that targeted, minimal perturbations operating on input pixels can induce catastrophic misclassification by manipulating semantic representations. We develop a rigorous theoretical framework to quantify concept-space robustness, establishing novel metrics that expose the vulnerability landscape of these architectures. Our extensive analysis on the CUB-200-2011 dataset demonstrates that standard CBMs exhibit severe susceptibility to concept-level manipulation. To address this critical weakness, we introduce SPECTRA (Semantic Perturbation-based Concept Training for Robustness against Attacks), a principled stability regularization defense. SPECTRA effectively hardens the semantic representation space, increasing the minimal perturbation norm required for a successful attack from 0.46 to over 4,200, rendering targeted concept manipulation computationally prohibitive. Furthermore, SPECTRA preserves baseline classification accuracy to within 2.2%. By establishing concept-level attacks as a fundamentally distinct threat model, this work opens a new research frontier at the intersection of interpretable machine learning and adversarial robustness.
Authors: Eduardo Luiz Alba, Gilson Adamczuk Oliveira, Matheus Henrique Dal Molin Ribeiro, \'Erick Oliveira Rodrigues
Abstract: Electricity expense management presents significant challenges, as this resource is susceptible to various influencing factors. In universities, the demand for this resource is rapidly growing with institutional expansion and has a significant environmental impact. In this study, the machine learning models long short-term memory (LSTM), random forest (RF), support vector regression (SVR), and extreme gradient boosting (XGBoost) were trained with historical consumption data from the Federal Institute of Paran\'a (IFPR) over the last seven years and climatic variables to forecast electricity consumption 12 months ahead. Datasets from two campuses were adopted. To improve model performance, feature selection was performed using Shapley additive explanations (SHAP), and hyperparameter optimization was carried out using genetic algorithm (GA) and particle swarm optimization (PSO). The results indicate that the proposed cooperative ensemble learning approach named Weaker Separator Booster (WSB) exhibited the best performance for datasets. Specifically, it achieved an sMAPE of 13.90% and MAE of 1990.87 kWh for the IFPR-Palmas Campus and an sMAPE of 18.72% and MAE of 465.02 kWh for the Coronel Vivida Campus. The SHAP analysis revealed distinct feature importance patterns across the two IFPR campuses. A commonality that emerged was the strong influence of lagged time-series values and a minimal influence of climatic variables.
Authors: Santosh Kumar Radha, Oktay Goktas
Abstract: World models for partially observed environments must imagine multiple compatible hidden futures and steer between them under counterfactual actions. Joint Embedding Predictive Architectures (JEPAs) do this in latent space, but a vector-valued latent has no internal structure for carrying the belief over hidden continuations through blind rollout. We introduce the Unitary World Model JEPA (UWM-JEPA), a JEPA world model with a density-matrix latent on a joint system-environment space and a learned unitary predictor. The construction preserves the joint-state spectrum exactly during rollout, so the predictor itself cannot dissipate the represented uncertainty. On a hidden-velocity indicator task requiring five-step forward simulation under a given action sequence with the target observation masked, UWM-JEPA reaches 0.77 accuracy and degrades monotonically as actions are perturbed; a parameter-matched LSTM-JEPA trained under the same counterfactual-target objective and action head collapses to majority-class accuracy (0.53) under every action condition. Under blind rollout, UWM-JEPA loses fewer than ten points of probe R^2 at short horizons while vector-latent baselines lose forty-one and sixty-eight; both nevertheless tie on a held-out context probe, locating the separation in the predictor rather than the encoder. Action sensitivity itself requires training against counterfactual rather than teacher-forced targets, a finding that applies beyond the unitary parameterisation. For JEPA world models to imagine under partial observability, latent geometry and predictor dynamics matter, not frozen context-encoding capacity alone.
Authors: Akash Bonagiri, Devang Borkar, Gerard Janno Anderias, Setareh Rafatirad, Houman Homayoun
Abstract: Large language model (LLM) agents frequently fail on multi-step tasks involving reasoning, tool use, and environment interaction. While such failures are typically logged or retried heuristically, they contain structured signals about where execution broke down. We introduce CausalFlow, an interventional framework that converts failed agent traces into minimal counterfactual repairs and reusable supervision. CausalFlow models execution traces as sequential chains of dependent steps and computes Causal Responsibility Scores(CRS) via step-level counterfactual intervention to identify failure-inducing steps. For these steps, we generate minimally edited repairs that flip the final outcome to success, producing validated contrastive pairs of the form (wrong step, corrected step). CausalFlow supports two complementary uses: targeted test-time repair that recovers from failures with minimal behavioral drift, and training-time supervision suitable for offline preference optimization or reward modeling. Across four benchmarks spanning mathematical reasoning, code generation, question answering, and medical browsing, CausalFlow converts failed executions into validated minimal repairs with high minimality and causal-consensus scores, and demonstrates that causal attribution is necessary for reliable improvement across diverse agent tasks, outperforming heuristic refinement in complex retrieval settings while producing more localized repairs throughout. These results demonstrate that interventional analysis over structured execution traces provides a principled and scalable mechanism for transforming agent failures into reliability gains and learning-ready supervision.
Authors: Konstantinos Emmanouilidis, Tianjiao Ding, Nghia Nguyen, Nicolas Loizou, Ren\'e Vidal
Abstract: Deep learning models are vulnerable to adversarial perturbations, raising important concerns for safety-critical deployment. Empirical defenses can achieve strong robustness in practice, but lack formal guarantees, motivating the need for certifiably robust classifiers. While certified methods provide formal guarantees, they often yield overly conservative bounds due to their inability to exploit structure in complex data distributions. In this work, we propose a framework for designing certifiably robust classifiers that leverages latent structure in data representations. We first analyze the Gaussian mixture setting, deriving necessary and sufficient conditions for the existence of robust classifiers and constructing a classifier with a closed-form robustness certificate and generalization guarantees. Our main contribution is to show that exact structure is not required: we prove that if a pretrained encoder maps inputs to a latent distribution that is $\varepsilon$-close (in KL divergence) to a Gaussian mixture, then certified accuracy degrades gracefully, with an explicit bound relating robustness under the true and approximate distributions. This result enables the direct use of pretrained models without requiring exact distributional assumptions. Empirically, our method achieves state-of-the-art or competitive certified accuracy on CIFAR-10 and ImageNet, while maintaining strong clean performance and low computational overhead. Overall, our work establishes approximate latent structure as a practical and principled route to certifiable robustness.
Authors: Divyam Goel, Nithin Chalapathi, Sanjeev Raja, Aditi S. Krishnapriyan
Abstract: Inverse problems in partial differential equations (PDEs) involve estimating the physical parameters of a system from observed spatiotemporal solution fields. Neural networks are well-suited for PDE parameter estimation due to their capability to model function-to-function space transformations. While existing benchmarks of machine learning methods for PDEs primarily focus on the forward problem, there are no similar comprehensive studies and benchmark datasets on PDE inverse problems, i.e., mapping solution fields to underlying physical parameters. We fill this gap by introducing PDEInvBench, a comprehensive benchmark dataset consisting of numerical simulations for both time-dependent and time-independent PDEs across a wide range of physical behaviors and parameters. Our dataset includes evaluation splits that assess performance in both in-distribution and various out-of-distribution settings. Using our benchmark dataset, we comprehensively explore the design space of neural networks for PDE inverse problems along three key dimensions: (1) optimization procedures, analyzing the role of supervised, self-supervised, and test-time training objectives on performance, (2) problem representations, where we study the value of architectural choices with different inductive biases and various conditioning strategies, and (3) scaling, which we perform with respect to both model and data size. Our experiments reveal several practical insights: 1) neural networks perform best with a two-stage training procedure: initial supervision with PDE parameters followed by test-time fine-tuning using the PDE residual, 2) incorporating PDE derivatives as input features consistently improves accuracy, and 3) increasing the diversity of initial conditions in the training data yields greater performance gains than expanding the range of PDE parameters. We make our dataset and codebase publicly available.
Authors: Jinghao Zhang, Ruilin Li, Feng Zhao, Jiaqi Wang
Abstract: Reinforcement learning with verifiable rewards (RLVR) has become a core technique for post-training of Large Language Models (LLMs). While policy optimization is driven by all sampled tokens under a globally broadcast scalar reward, the heterogeneous policy behaviors exhibited along trajectories are largely overlooked without differentiation. Existing works address this by credit allocation, including token-level advantage reweighting, and selective token optimization, however, the allocation criterion are principally stagnant throughout training, limiting resilient policy evolution. In this work, we argue that \textit{when} learning signals are scheduled can be as important as \textit{where} they are allocated across tokens, and introduce the temporal dimension that scheduling the credit allocation criteria over the course of RLVR optimization. We find that prioritizing targeted tokens emphasized with specific policy behaviors, and gradually attenuating toward general optimization leads to more stable and efficient learning dynamics. Furthermore, we show that simple trajectory percentiles provide a natural perspective for distinguishing policy behaviors, and works effectively with temporal scheduling. Our analysis reveals that standard optimization substantially sacrifices policy entropy when simultaneously accommodating heterogeneous behaviors, whereas temporal scheduling yields healthier policy evolution dynamics. Experiments across mathematical and general reasoning benchmarks demonstrate consistent improvements, suggesting that temporal scheduling constitutes a promising optimization dimension.
Authors: Dongxin Ye, Fang Hu, Han Hu, Shu Hu, Yang Tan, Wanli Ouyang, Stan Z. Li, Jie Cui, Nanqing Dong
Abstract: Nucleotide sequences constitute the fundamental genetic basis of biological systems, rendering viral genomic analysis critical for biomedical advancement. Despite progress in biological foundation models, specifically nucleotide foundation models (NFMs), the field lacks a unified standard for viral genomics to facilitate community development and enforce biosecurity constraints. To address this, we introduce ViroBench, the first comprehensive and large-scale benchmark specifically designed for NFMs in viral settings. ViroBench evaluates models across two critical dimensions: biological understanding and latent biosecurity risk, covering 18 diverse scenarios within 4 task types. Extensive evaluation of 66 NFMs across diverse architectures yields three critical conclusions. Firstly, NFMs exhibit a performance degradation in biological understanding under phylogenetic and temporal shifts, indicating weak extrapolation capabilities. Secondly, generation tasks reveal a decoupling between statistical likelihood and biological functional validity, posing latent biosecurity risks. Thirdly, controlled ablation studies reveal that taxonomic diversity in pretraining data outweighs parameter scale. Specifically, a lightweight baseline trained on diverse data achieves a 67.5% performance gain over its original model. Overall, ViroBench provides interpretable, diagnostic evaluations and a reproducible measurement framework for future research on viral nucleotide foundation models. The datasets and code are publicly available at https://github.com/QIANJINYDX/ViroBench.
Authors: Ruiyu Li, Guangxia Li, Xiao Lu, Jichao Liu, Yan Jin
Abstract: We study the restless contextual multi-play multi-armed bandit (MP-MAB) problem for channel allocation in the opportunity spectrum access (OSA) scenario. Most existing MP-MAB methods are impractical for real-world OSA systems as they assume many ideal conditions, incur a heavy computational cost, and most importantly, ignore the impact of channel noise which is directly related to the quality of service. In this study, we embody this impact by modeling channel noise as a perturbation of the arm's reward function in MP-MAB. As there is an implicit correlation between channel state information and channel noise, we take the former as a context for MP-MAB to present the perturbation caused by the latter. We investigate two types of correlation between the context and the perturbation -- linear and nonlinear, and derive two index policies, respectively. These policies learn the correlations through a linear model and a neural network, and use estimated noise value to adjust the upper confidence bound. Numerical experiments demonstrate that the proposed policies can achieve lower regret and select sub-optimal arms in a more reasonable way.
Authors: Chung-Yiu Yau, Dawei Li, Athanasios Glentis, Valentyn Boreiko, Hoi-To Wai, Mingyi Hong
Abstract: Lookahead-based acceleration methods, such as Nesterov's momentum, are widely used in optimization, but they often become unreliable in deep learning training mainly due to stochastic gradient noise and non-convex loss landscapes. In particular, standard lookahead relies on short-horizon update signals (e.g., differences between consecutive iterates), which are inherently noisy and can lead to unstable extrapolation directions. This work revisits Nesterov's acceleration from a trajectory perspective and argues that effective acceleration in deep learning should harness the low-frequency trends of optimization trajectories rather than extrapolating noisy one-step updates. Leveraging this insight, we propose EMA-Nesterov, a simple modification that replaces the standard Nesterov's lookahead direction with an exponential moving average (EMA) of parameter updates. This yields a stabilized lookahead direction that captures and harnesses the evolving trend of the training trajectory through a low-pass filter, while remaining adaptive to progressive changes via the geometric weighting structure of EMA. We show that EMA-Nesterov retains a theoretical accelerated convergence rate in convex problems that is analogous to Nesterov's accelerated gradient method. Furthermore, we provide empirical evidence on language model pre-training to verify that EMA-Nesterov is broadly applicable across a range of fine-tuned base optimizers, including Adam, SOAP, Muon, as well as complex optimizers that achieve state-of-the-art performance on optimization benchmarks (NanoGPT). Compared to prior lookahead methods, EMA-Nesterov achieves better performance by avoiding the instability of short-horizon lookahead and the non-adaptivity of long-horizon lookahead.
Authors: Jiaquan Zhang, Caiyan Qin, Haoyu Bian, Libin Cai, Yi Lu, Chaoning Zhang, Wei Dong, Yuanfang Guo, Yang Yang, Hen Tao Shen
Abstract: Neural operators learn mappings from function-dependent inputs to solutions, providing an effective framework for solving partial differential equations (PDEs). For time-dependent PDEs, existing methods typically perform long-horizon prediction through autoregressive rollout directly in high-dimensional physical field spaces, where each predicted state is recursively fed back as the input for the next step. Although effective for short-term prediction, this autoregressive rollout and the lack of continuous-time modeling lead to progressive error accumulation over long-horizon rollouts. In this work, we propose Autoregression-Free Neural Operators (AFNO), which map the time evolution of PDEs into a latent space and model continuous-time vector fields within it. AFNO uses flow matching to learn the latent vector field, thereby enabling continuous evolution over extended horizons, avoiding autoregressive rollout and capturing dynamics under varying parameter configurations through explicit conditioning on physical parameters. Theoretical analysis and extensive experiments on six PDEs demonstrate that AFNO improves long-horizon prediction stability and consistently reduces rollout errors compared with the baselines.
Authors: Gen Li, Li Chen, Cheng Tang, Boxuan Ma, Yuncheng Jiang, Daisuke Deguchi, Takayoshi Yamashita, Atsushi Shimada
Abstract: Effective learning support requires understanding not only what learners know but also how accurately they perceive their own understanding. This metacognitive dimension, known as knowledge monitoring, fundamentally influences self-regulated learning, yet this dimension remains underexplored in current systems. This paper introduces the Capture-Calibrate-Coach (3C) framework for adaptive learning support. The Capture phase extracts learners' perceived knowledge states from open-ended self-reports to construct a heterogeneous graph linking learners and knowledge concepts. The Calibrate phase applies a heterogeneous graph neural network to infer latent perceived states for concepts not explicitly mentioned, enabling systematic knowledge monitoring assessment. The Coach phase classifies learners into five metacognitive patterns and delivers personalized feedback addressing both knowledge gaps and calibration errors. Evaluation with 684 students demonstrates 85.21% AUC in predicting latent perceived states, significantly outperforming baseline methods. A user study with 47 participants shows positive reception of feedback quality, with participants particularly valuing concrete feedback on knowledge gaps and actionable study guidance. These findings advance AI-based learning support toward metacognitive teammates that foster accurate self-awareness while supporting knowledge growth.
Authors: Zhongling Xu, Shunan Zheng, Wei Wang
Abstract: Existing LLM routing frameworks treat queries as independent events, neglecting the sequential nature of real-world user sessions constrained by global computational budgets. This mismatch inevitably leads to budget bankruptcy: myopic routing policies exhaust resources on early interactions, forcing subsequent and often more complex queries onto inadequate models. We introduce SeqRoute, a framework that formulates multi-turn routing as a finite-horizon Markov Decision Process and solves it via offline reinforcement learning. By incorporating the remaining budget into the state space and training with Conservative Q-Learning (CQL), SeqRoute learns delayed gratification to strategically preserve resources for high-stakes turns later in the session. To overcome data starvation, we propose Hindsight Budget Relabeling (HBR). This technique retrospectively simulates historical trajectories under diverse hypothetical budgets, expanding 10,000 raw sessions into 2.38 million transitions enriched with critical bankruptcy signals. At deployment, a dynamic $\lambda$-sweep mechanism enables zero-shot navigation of the cost-quality Pareto frontier without retraining. Extensive evaluations demonstrate that SeqRoute reduces operational costs by 6.0-73.5% while maintaining or improving quality, and suppresses bankruptcy rates to under 1%, strictly dominating behavior cloning, budget-aware heuristics, and static baselines across the entire Pareto frontier.
Authors: Yujing Liu, Yixin Liu, Yu Zheng, Alan Wee-Chung Liew, Xiaofeng Cao, Shirui Pan
Abstract: Generalist graph anomaly detection (GAD) aims to detect anomalies on unseen graphs without graph-specific retraining. Nevertheless, existing approaches primarily focus on aligning heterogeneous features across different data domains via PCA-based projection, which harmonizes feature dimensions ignores feature semantics. As a result, GAD models fail to learn transferable semantic knowledge, and even exhibit negative transfer on unseen graphs. To address this issue, we propose a Relational Fingerprint-based generalist GAD approach (ReFi-GAD for short), aligning heterogeneous raw features with a universal and semantics-aware Relational Fingerprint (ReFi) that encodes anomaly-indicative cues from both contextual and structural perspectives. Building on ReFi, we design a fingerprint-grounded generalist GAD model, which combines a transformer-based encoder to capture domain-invariant knowledge with an SNR-guided refinement module for domain-specific adaptation. Extensive experiments on 14 datasets demonstrate that ReFi-GAD significantly outperforms state-of-the-art methods.
Authors: Gyuwon Sim, Sumin Lee, Heesun Bae, Byeonghu Na, Doyun Kwon, Ju-Hee Hwang, Jae-Young Lim, Il-Chul Moon
Abstract: Missing data frequently arises across diverse domains, including time-series and image domains. In the real world, missing occurrences often depend on the unobservable values themselves, which are referred to as Missing Not at Random (MNAR). In this work, we introduce the Missing Pattern Recognized Diffusion Imputation Model (PRDIM), a novel framework that explicitly captures the missing pattern and precisely imputes unobserved values. PRDIM iteratively maximizes the likelihood of the joint distribution for observed values and missing mask under an Expectation-Maximization (EM) algorithm. In this sense, we first employ a pattern recognizer, which approximates the underlying missing pattern and provides guidance during every inference toward more plausible imputations with respect to the missing information. Through extensive experiments, we demonstrate that PRDIM consistently achieves strong imputation performance under MNAR settings across multiple data modalities.
Authors: Zili Zhang, Chengxu Yang, Shenglong Zhang, Chenyu Wang, Yufan Zhang, Tuo Dai, Zhouyang Li, Yuhong Ge, Chao Jin, Xin Jin, Yuliang Liu
Abstract: Training multimodal large language models (MLLMs) is challenged by both model and data heterogeneity. Existing systems redesign the training pipeline to address these challenges, but remain bound by a Pareto frontier between compute and memory efficiency, improving one only at the expense of the other. We present BigMac, a new training pipeline for multimodal LLMs. The core idea of BigMac is to elegantly nest the encoder and generator computation into the original LLM pipeline, forming a dependency-safe nested pipeline structure. With this design, BigMac reduces the activation memory complexity of the encoder and generator to O(1) while keeping the activation memory complexity of the LLM unchanged. At the same time, it achieves the same computational efficiency as the idealized setting with unlimited memory. As a result, BigMac breaks the Pareto frontier between computational efficiency and memory usage, enabling simultaneous optimization of both computation and memory in MLLM training. We evaluate BigMac on multiple MLLMs and training workloads. Experimental results show that BigMac achieves a 1.08$\times$-1.9$\times$ training speedup over baseline systems while maintaining stable memory usage as batch size increases.
Authors: Asvin G., Jack Lindsey
Abstract: Language models are pretrained as passive predictors with no incentive to model the consequences of their own outputs. Post-training changes this: a model producing its own responses can benefit from recognizing that it is on-policy. We present evidence that post-trained models recognize their on-policy generations, and this recognition is implicitly encoded in their output distributions. In particular, on-policy output distribution entropy is 3--4$\times$ lower than off-policy entropy, across model families and size classes. We trace part of this effect to an internal representation of input surprise, tracking the unlikeliness of the most recent input token according to the model's prior predictions, that causally modulates output entropy. One example of these phenomena can be observed in response to open-ended prompts; post-trained models (unlike pretrained models) collapse their uncertainty over the topic of their upcoming response before the first output token; violating this cached intention with a different-topic prefill results in higher output entropy. We also tested whether models can distinguish on-policy contexts from prefills via explicit verbal report. We find that they can, but that interestingly, this explicit recognition routes through a different mechanism than implicit recognition.
Authors: Kai Yi, Vignesh Vivekraja, Harshit Khaitan, Steven Li
Abstract: Quantization-aware training (QAT) is widely deployed but typically relies on the Straight-Through Estimator (STE), which passes gradients through non-differentiable quantizers by fiat. This often makes training brittle near bin boundaries and weakly aligned with the actual behavior of the low-precision model. We introduce JacQuant, a QAT framework that learns a lightweight surrogate of the model's local sensitivity to parameter changes and uses it to stabilize and accelerate training within standard variance-reduced optimizers. The surrogate is inexpensive (diagonal or block-diagonal), data-driven, and compatible with common weight and activation quantizers. On code-preserving training phases, we prove convergence for non-convex objectives and obtain linear rates under a PL condition, and we relate the learned sensitivity to end-to-end output fidelity via a simple calibration argument. Across LLM benchmarks at $\leq 2$ bits, JacQuant consistently reaches higher accuracy than STE-based QAT, and the runtime analyses on various models show that the added cost remains negligible under practical group sizes. The method is drop-in and requires no changes to the forward quantizers; our empirical claims are scoped to ultra-low-bit LLM QAT.
Authors: Yanhang Li, Zhichao Fan, Zexin Zhuang
Abstract: Pairwise model comparisons drawn from foundation-model benchmarks ("A is safer than B") are read as quantitative verdicts but hinge on harness choices benchmark papers under-specify. We close one theory-benchmark loop on this primitive: a finite-envelope proposition tying a measurable pairwise-disagreement rate to whether the strict ordering admits a configuration-pair reversal, paired with a commit-stamped evaluation protocol that operationalises it on widely cited alignment benchmarks. On every benchmark we test, configuration choice alone can flip the pairwise verdict; the proposition isolates this strict-reversal failure mode.
Authors: Tongtong Fang, Nan Lu, Gang Niu, Kenji Fukumizu, Masashi Sugiyama
Abstract: Importance weighting (IW) is a golden solver for joint distribution shift, where the joint distributions differ between the training and test data. To solve this problem, IW estimates test-to-training density ratios as importance weights and reweights the training losses accordingly. Recent advances in dynamic IW (DIW) integrate weight estimation into model training, enabling scalable IW for deep models and achieving strong performance on large modern datasets. Despite its promise, DIW remains limited in two aspects. First, it incurs substantial computational overhead by solving a kernel mean matching (KMM)-induced optimization problem to convergence in every mini-batch. Second, it relies solely on KMM for weight estimation, whereas the IW literature contains diverse estimation methods based on different divergence measures. In this paper, we propose accelerated DIW (ADIW), a unified and efficient IW framework for deep learning under joint distribution shift. ADIW performs a few lightweight projected gradient descent updates that warm-start from previously updated weights, substantially improving efficiency. Moreover, ADIW generalizes DIW into a unified divergence-minimization framework that supports diverse weight-estimation methods in a plug-and-play manner, including those based on the Kullback-Leibler divergence, squared distance, and Wasserstein-1 distance. We establish convergence guarantees for ADIW under mild conditions, and empirical results demonstrate that ADIW achieves state-of-the-art IW performance while being substantially more efficient.
Authors: Qishi Zhan, Liang He, Minxuan Hu, Ziheng Chen
Abstract: At very high sparsity, neural network pruning does more than decide which weights remain. It also determines where pruning induced damage is placed across the network, and whether that damage can be recovered by a fixed lightweight repair procedure. We study this problem through the lens of repair conditioned sparsity allocation. We introduce Relative Repairability (RR), a calibration based diagnostic that compares the raw activation distortion caused by layerwise pruning with the residual distortion left after channelwise variance matching repair. RR estimates the fraction of local damage that remains after repair, using only unlabeled calibration data. Across ResNet18, ResNet34, and VGG16 BN on CIFAR10 and CIFAR100, we find that RR is not a universally dominant allocation rule. Instead, it is most useful near an architecture dependent recoverability transition, where standard structural or magnitude based allocation priors begin to lose reliability but post repair recovery has not yet fully collapsed. On CIFAR100 ResNet18, a fine grained sweep shows that RR improves over ERK across the central transition band and surpasses LAMP near the upper part of this band. A projection forced ablation further shows that capped ERK can over protect projection layers, shifting excessive sparsity onto regular convolutions and reducing post repair recovery. These results suggest that high sparsity pruning should allocate not only retained weights, but also repairable damage.
Authors: Mingxu Zhang, Yuhan Li, Lujundong Li, Dazhong Shen, Hui Xiong, Ying Sun
Abstract: Continual learning enables large language models to adapt to evolving tasks without retraining from scratch, yet catastrophic forgetting remains a central obstacle. Among continual learning methods, regularization-based approaches are widely used to constrain model updates and reduce forgetting, operating in weight space, gradient space, or output space. However, these dense representation spaces suffer from feature superposition, where multiple concepts are encoded in overlapping dimensions, making it difficult to selectively protect previously learned knowledge without impeding new-task learning. To address this issue, we propose \method (Sparse Autoencoder Feature Distillation), which anchors model representations in the sparse feature space of a pre-trained Sparse Autoencoder, where dense activations are decomposed into a sparse overcomplete basis that reduces representational entanglement, enabling more targeted regularization with less interference to new-task learning. Experiments on two continual learning benchmarks across three model architectures show that \method consistently outperforms existing regularization-based methods, achieving up to 52.70% average accuracy with only -0.46 backward transfer.
Authors: Sayak Charabarty, Souradip Pal
Abstract: This paper studies reinforcement learning for high-frequency trading on limit order books by pairing an Order-Flow-based state model with policy-gradient methods. Instead of value-based RL techniques like tabular Q-learning, our approach deploys policy-based methods like vanilla PPO and DeepSeekMath-inspired variants like GRPO and GSPO, that use group-normalized updates and downside-aware shaping. On backtests with financial assets AMZN, AAPL, and GOOG under a simplified backtesting setup based on spread-scaled rewards, these new policies improve net average PnL, profitability, and drawdown over the Q-Learning baseline. Our results show that (1) Order-Flow signals are an adequate state for policy RL and (2) group-aware PPO surrogates are preferable over value-based baselines.
Authors: Shubhajit Roy, Anirban Dasgupta
Abstract: Dynamic graph neural networks (DGNNs) that operate on snapshot sequences typically fall into one of two categories. \emph{Temporal-first} approaches build per-node temporal embeddings and only afterwards perform spatial aggregation, whereas \emph{Spatial-first} approaches invert this order, feeding the output of a graph convolution into a downstream temporal module. In either case, the rigid sequencing forces the second stage to consume an already-compressed summary produced by the first, ruling out joint reasoning over topology and evolution; concretely, the message-passing operator never gets to weight a neighbor's contribution by that neighbor's \emph{past} trajectory. This paper introduces \textbf{SiST-GNN} (\textbf{Si}multaneous \textbf{S}patial-\textbf{T}emporal \textbf{GNN}), which fuses the two signals inside a single message-passing operation rather than chaining them. Concretely, at each snapshot we maintain a recurrent hidden state per node that summarises its history, pair it with the node's current feature vector, and treat the pair as two nodes joined by a cross-time edge; running a standard graph convolution on this temporally augmented graph yields the updated representation. Our empirical study spans nine public baselines and fourteen model-dataset combinations, covering both fixed-split and live-update evaluation regimes. Across every public benchmark, SiST-GNN sets a new state of the art in link prediction task over the strongest prior method by $109$--$277\%$ in the fixed-split setting and by $68$--$194\%$ in the live-update setting. We additionally construct three dynamic node-classification tasks by discretising the underlying continuous-time event streams; here SiST-GNN beats the leading discrete-time (DTDG) baseline by $7$--$22\%$ and matches continuous-time (CTDG) methods that consume the raw events directly.
Authors: Ran Eisenberg, Ofir Lindenbaum
Abstract: Many learning problems require uncovering a hidden ordering that reveals structure in unordered data, such as monotonicity in sorting or spatial continuity in jigsaw reconstruction. In these settings, permutations can be learned as latent operators by optimizing objectives defined directly on the reordered output, often without access to ground-truth orderings. Differentiable relaxations such as Gumbel-Sinkhorn make this approach practical by approximating permutation matrices with doubly stochastic matrices. However, learning from structure without supervision induces a non-uniform uncertainty: some assignments become confident early, while others remain ambiguous. Existing methods control this process using a single global temperature, forcing all assignments to sharpen or diffuse simultaneously and leading to instability at scale. We introduce an entropy-adaptive formulation of Gumbel-Sinkhorn that locally modulates temperature based on assignment uncertainty. This allows confident assignments to discretize early while preserving exploration where uncertainty remains. Across sorting and jigsaw reconstruction tasks and in routing-style settings, adaptive entropy control improves training stability and final permutation quality relative to fixed-temperature baselines, particularly as problem size and assignment ambiguity increase.
Authors: Mengyang Sun, Maochuan Dou, Tao Feng, Dan Zhang, Yihao Wang, Junpeng Liu, Yifan Zhu, Jie Tang
Abstract: While Large Language Models (LLMs) are commonly fine-tuned to handle domain-specific tasks before being applied to vertical applications, adapting them to complex scenarios with diverse specialized knowledge remains challenging. Meanwhile, Mixture-of-Experts (MoE) architecture has risen as a crucial paradigm for training LLMs, and some recent works have also incorporated MoE into Parameter-Efficient Fine-Tuning (PEFT) to propose the Mixture of Low-rank Experts (MoE-LoRA), to enhance the power of low-rank adapters for learning complicated knowledge. However, conventional gating mechanisms in MoE typically apply only a scalar reweighing to selected experts, thereby limiting their underlying capacity of representation and generalization. Motivated and enabled by the low-rank structures in MoE-LoRA, we propose RotMoLE, a specialized MoE framework for low-rank experts featuring an additional rotation gate. Beyond simple scaling, RotMoLE implements a rotation mechanism for each selected expert, enabling superior expert exploitation and specialization for learning diverse data, especially when expert candidates are limited. Empirical results on complex multi-task and multilingual training scenarios validate our effectiveness.
Authors: Yunqing Liu, Yi Zhou, Wenqi Fan
Abstract: The generation of accurate 3D molecular conformations is a pivotal challenge in computational chemistry and drug discovery. Recently, diffusion and flow matching models have achieved remarkable success. However, there is a critical misalignment between their mathematical formulation and the physical reality of molecules. Existing approaches predominantly treat molecules as unstructured point clouds in Cartesian space, overlooking the intrinsic hierarchical mechanics where bond lengths and bond angles are relatively stiff, whereas torsion angles constitute the dominant flexible degrees of freedom. This lack of manifold awareness forces models to relearn fundamental geometric constraints from scratch, often leading to physically implausible intermediate structures. To address this, we propose GO-Flow that aligns generative modeling with molecular geometry via manifold decomposition. Instead of forcing motion through Euclidean space, GO-Flow decomposes the generation process into three physically motivated subspaces: translation space with linear optimal transport, rotation space with geodesic flows on $SO(3)$, and conformation space with entropic optimal transport. This decomposition injects geometric inductive biases and makes the generative paths better aligned with molecular degrees of freedom. When combined with equivariant neural architectures, it encourages rotation-consistent generation and improves geometric validity. Extensive experiments on GEOM-Drugs and GEOM-QM9 demonstrate that GO-Flow achieves state-of-the-art generation quality. Notably, by learning straighter probability paths on the correct manifolds naturally, our method enables high-fidelity sampling with as few as 50 steps, effectively bridging the gap between structural precision and computational efficiency.
Authors: Wenkang Jiang, Yuhang Liu, Erdun Gao, Ehsan Abbasnejad, Lina Yao, Javen Qinfeng Shi
Abstract: Single-cell perturbation prediction aims to infer how cells respond to unseen interventions and to achieve out-of-distribution (OOD) generalization, providing a computational route to understanding how perturbations reshape cellular programs over time. Existing machine learning methods have made important progress, but typically capture only one side of the response. Latent causal approaches seek mechanisms that support generalization and interpretation, yet often treat perturbation effects as static outcomes. Temporal models describe how gene expression changes across time, but usually do not explicitly recover the latent causal generative mechanisms driving these changes. In practice, perturbation effects are both latent and dynamical: interventions act through unobserved cellular programs, whose states evolve over time and give rise to observed expression profiles. Motivated by this view, we propose a latent dynamical causal generative model for single-cell perturbation data that jointly captures latent cellular programs, perturbation-conditioned mechanisms, and temporal evolution. We further provide an identifiability analysis showing that, under suitable conditions, the latent causal variables are recoverable up to standard equivalence classes. Guided by this analysis, we develop CITE-VAE, a learning framework for recovering latent cellular programs and their perturbation-driven dynamics from single-cell sequencing data. Experiments on Causal-3DIdent validate the theoretical results and the effectiveness of the proposed method in controlled settings. Additional experiments on real-world CRISPR-based single-cell perturbation data show improved generalization to unseen perturbations compared with state-of-the-art baselines, highlighting the practical robustness of our approach.
Authors: Changyu Chen, Xiting Wang, Rui Yan
Abstract: Reinforcement learning for large language models faces a fundamental trade-off between sample efficiency and asymptotic performance: strictly on-policy methods discard trajectories after a single update, while off-policy reuse introduces distribution mismatch that existing trust-region techniques mitigate primarily by enforcing conservative optimization, often leaving rich training signals underutilized. To investigate this, we perform extensive off-policy updates on fixed data. Our experiments reveal that aggressive multi-step optimization brings rapid initial gains, but excessive updates cause trajectory probabilities to deviate and entropy to collapse, with performance plateauing early. Tightening KL constraints merely lowers the ceiling without resolving the degradation. This motivates Extreme Region Policy Distillation (ERPD), a two-stage framework that decouples sample efficiency from KL efficiency. The first stage performs weakly constrained off-policy optimization on fixed data to maximally extract training signals. The resulting policy provides token-level supervision. In the second stage, we distill these signals into the base policy under trust-region constraints, filtering harmful drift while preserving useful signals. The distilled policy achieves comparable or better performance with substantially smaller KL divergence, indicating that much of the first-stage divergence was spent on unnecessary drift rather than genuine improvement. Crucially, ERPD accommodates both strong and weak teachers: when aggressive optimization yields no stronger policy, even degenerate teachers provide effective supervision via alternative signal construction strategies. We validate ERPD on mathematical reasoning, showing gains for strong base models where on-policy training plateaus, and reliable improvements with weak teachers.
Authors: Yuanye Liu, Yibo Gao, Yuanyang Chen, Xiahai Zhuang
Abstract: Evidential Deep Learning (EDL) has emerged as an efficient, sampling-free strategy for uncertainty estimation. A series of EDL variants have been proposed to address specific limitations of the original framework, achieving notable success. However, the underlying theoretical structure of EDL and the relationships among these variants have received limited systematic investigation. In this work, we establish a principled theoretical foundation for EDL by interpreting it within a generalized Bayesian framework that includes prior specification, posterior update, and training objective. We further characterize evidential uncertainty from a Bayesian distributional uncertainty viewpoint, established via asymptotic analysis. Building on this perspective, we further propose Generalized Evidential Deep Learning (GEDL), a unified and extensible framework that explicitly disentangles the roles of individual components and systematically relates GEDL to existing variants. Extensive experiments demonstrate that GEDL yields comparable results on classification, uncertainty estimation and OOD detections, with theoretical grounding.
Authors: Ze Peng, Jian Zhang, Lei Qi, Yang Gao, Yinghuan Shi
Abstract: The observation that activation sparsity emerges in MLP blocks of standardly trained Transformers offers an opportunity to drastically reduce computation costs without sacrificing performance. To theoretically explain this phenomenon, existing works have shown that activation sparsity does not result from the data properties or data fitting but from the implicit bias of the training process. However, these connections are obtained with strong assumptions, which cannot be applied to deep models standardly trained with a large number of steps. Different from these works, we find that the flatness of loss landscapes is also closely related to the MLP activation sparsity and can serve as a weaker and naturally emerging assumption standard deep networks. Specifically, we find that 1) the MLP activation sparsity equals a ratio between "augmented flatness" (a weighted sum of flatness measures) and the product of the input norm and activation gradient of the MLP. We empirically find that this ratio decreases during training, leading to sparse activations. 2) We also propose the notion of derivative sparsity, which reduces to activation sparsity under ReLU, but further enables pruning in the backward propagation and is more stable than activation sparsity. With the theoretical findings, we can further encourage activation sparsity by decreasing the numerator and increasing the denominator of the ratio using three methods. These plug-and-play modifications can effectively reduce the ratio and produce sparser activations. Experiments on ImageNet-1K and C4 demonstrate relative improvements of at least 36% on inference sparsity and at least 50% on training sparsity over vanilla Transformers, indicating further potential cost reduction in both inference and training
Authors: Taeseong Yoon, Heeyoung Kim
Abstract: Single-pass uncertainty quantification (UQ) methods for classification represent uncertainty by predicting a tractable distribution over the class probability vector. While existing approaches primarily focus on enhancing the expressiveness of this distribution, they often provide limited insight into how predictive uncertainty is structured and aggregated, resulting in weak interpretability. We introduce the courtroom analogy, which conceptualizes uncertainty-aware classification as a structured debate among class-specific advocates. Each advocate forms a probabilistic opinion, and a final verdict is reached by aggregating these opinions using input-dependent plausibility weights. In this framework, each advocate's opinion is modeled as a Dirichlet distribution whose concentration parameter is decomposed into shared evidence and class-specific advocacy. This yields a structured mixture of Dirichlet distributions with semantically interpretable parameters. To instantiate this formulation, we propose Mixture of Dirichlet EXperts (MoDEX), a single-pass neural architecture that predicts the courtroom parameters, enabling efficient and expressive UQ while explicitly modeling uncertainty aggregation. We demonstrate that MoDEX enjoys strong theoretical properties and achieves state-of-the-art UQ performance across diverse benchmarks, yielding interpretable uncertainty estimates with meaningful semantics.
Authors: Chenglong Li, Claudio Altafini
Abstract: In the paper we show that there is an analogy between the operations occurring in a layer of a transformer (projections and layer normalizations, disregarding the feedforward neural network) and a step in the power method. Coherently with this analogy, we show that passing through a layer the tokens tend to be tilted towards the principal eigenvector of a matrix which is the product of the output and value weight matrices of that layer. In the special case of a transformer with shared weights (i.e., in which all layers have identical weights) then the alignment with this principal eigenvector is particularly evident empirically, and can also be shown analytically. The analogy also suggests a method to steer the output of the transformer towards an arbitrary desired direction in token space.
Authors: Aditya Gaur, Charu Sharma
Abstract: Graph neural networks for node classification are typically trained by gradient descent over hundreds or thousands of epochs. Recent work has shown that, when properly tuned, classic GCN/SAGE/GAT architectures can match graph transformers on many node-classification benchmarks. We ask a complementary question: how much of this performance can be recovered by deterministic closed-form solvers, and what guarantees does this enable? We introduce a routed closed-form framework selected by adjusted homophily. For assortative graphs, we use SGC-style propagation followed by Ridge regression; for heterophilous graphs, we introduce LCF-Net, a layer-wise closed-form graph feature-refinement network whose per-layer Ridge solves are capped by a Gaussian kernel-Ridge head. Across 14 benchmarks, including ogbn-arxiv and ogbn-proteins, our closed-form predictors match or beat the best vanilla 2-layer GCN/SAGE/GAT on 9 of 9 measured datasets, tie tuned deep recipes within one standard deviation on 9 of 12 small benchmarks, and exceed the OGB-leaderboard plain GCN on both large graphs. The remaining heterophilous gap closely tracks the gain from vanilla 2-layer to deep SAGE, suggesting that the residual difference is primarily architectural. Because our predictors are explicit solutions of deterministic linear systems, modified graph inputs can be re-solved to obtain retrain-equivalent parameters. We formalize exact graph-object unlearning for label, feature, edge, node, and subgraph modifications, prove K-hop locality for Ridge components, and verify exactness across 109 configurations. On ogbn-arxiv, localized updates give $21$--$45\times$ speedups over full re-solving and roughly $10^{6}\times$ speedups over gradient retraining. Structural-inversion experiments further quantify the privacy floor of exact retraining and the additional leakage of approximate graph-unlearning methods.
Authors: Florent Tariolle, Florian Yger
Abstract: Black-box adversarial attacks that minimize only the ground-truth confidence suffer from class drift: perturbations wander through the feature space without committing to a specific adversarial class, wasting queries on diffuse, undirected progress. We introduce Opportunistic Target Selection (OTS), a lightweight wrapper that switches an untargeted attack to a targeted objective early in its trajectory, locking onto whichever non-true class currently leads. OTS requires no architectural modification to the underlying attack, no gradient access, and no a priori target-class knowledge. We validate OTS on three score-based attacks (SimBA, Square Attack with cross-entropy loss, and Bandits) across five standard ImageNet classifiers (4,500 runs). On random-search attacks, OTS closely tracks oracle performance, with gains up to +27 pp in success rate and 43% relative reduction in censored-mean iterations on ResNet-50. On gradient-estimation attacks (Bandits) and attacks with margin loss, OTS is redundant, a negative result that reinforces our interpretation of OTS as a margin-loss surrogate. On adversarially-trained models, a bimodal difficulty distribution eliminates the regime where targeting helps.
Authors: Maxim Bolshim (ITMO University, Saint Petersburg, Russia), Alexander Kugaevskikh (ITMO University, Saint Petersburg, Russia)
Abstract: The loss and the norm of its gradient separate the healthy and the pathological regimes of neural-network training only weakly, whilst the curvature of the empirical risk differs qualitatively between them but is inaccessible explicitly at parameter counts $P\sim 10^{6}-10^{8}$. We present a stochastic estimator of the trace of the diagonal blocks of the Hessian matrix of the empirical risk of a neural network. The procedure combines the Hutchinson stochastic trace estimator with a single Hessian-vector product over the whole parameter vector and recovers unbiased estimates of every per-layer trace in one backward pass through the computational graph. We show that correctness under weight sharing requires the layer-wise Hessian to be assembled before the second differentiation: unrolling shared weights into independent coordinates introduces a systematic bias whose sign and magnitude are governed by the cross-instance blocks of the unrolled Hessian. A closed-form expression for the variance of the estimator at a fixed Hessian is derived, together with a decomposition of the total variance under the mini-batch sampling distribution. This decomposition yields a critical probe count $K^{\star}$ that balances the two sources of randomness and supports the practical recommendation $K\in[5,10]$ in the on-line monitoring regime. The estimator is applied to the detection of the label-memorisation regime of ResNet-18, ResNet-34, and VGG-11 on CIFAR-10 and CIFAR-100, where a calibrated cumulative-sum decision rule attains an empirical detection power of $179/180$ at a false-alarm rate of $16/120$.
Authors: Qingyuan Zeng, Pengxiang Cai, Zixin Guan, Ziyang Chen, Anglin Liu, Lang Qin, Xinyao Lai, Jintai Chen
Abstract: Designing a single molecule that modulates two targets is a promising strategy for polypharmacology, but it remains substantially harder than standard single-target generation because one candidate must satisfy two binding requirements while preserving drug-likeness and synthesizability. Existing dual-target generative methods typically introduce dual-target capability by either retraining the generator or intervening in the diffusion process during sampling. The former can be costly and difficult to stabilize when dual-target supervision is sparse, while the latter may be sensitive to denoising-time target balancing and competing update directions. These limitations motivate a generator-preserving alternative that keeps the pretrained prior intact: can dual-target candidates instead be recovered from the input space of a frozen single-target diffusion model, without modifying its parameters or denoising dynamics? We formulate this task as a constrained multi-objective optimization problem and propose REUSE, a hierarchical evolutionary input-space search framework that combines pair-conditioned exploration with structured multi-stage selection to enforce dual-target affinity, chemical quality, and diversity. Experiments show that, compared with methods that modify the diffusion process, REUSE consistently improves dual-target affinity and balance, achieving a 20.9-percentage-point gain in Dual High Affinity over the strongest prior baseline while maintaining competitive molecular quality.
Authors: Gabriel Masella, Giuseppe Alessio D'Inverno, Max Goldsmith, Gianluigi Rozza
Abstract: The process of decision-making in football is characterized by a complex interplay between spatial positioning, opponent pressure, and player intent. This work introduces a Graph Neural Network (GNN) framework designed to predict Receiver Selection, the optimal passing target, by modeling on-field interactions as dynamic graphs. Each player is represented as a node with positional and contextual features, while potential passing lines form weighted edges characterized by distance, angle, and pressure metrics. A Message-Passing Neural Network (MPNN) has been developed and trained using a combination of tracking data and event data from professional matches, synchronized through a robust pipeline based on an optimized version of the Needleman-Wunsch Algorithm. The model achieves competitive accuracy in identifying the actual chosen receiver and state-of-the-art accuracy within its top three suggestions. Our model further offers quantification of each option's likelihood, threat, and creativity, enabling performance analysts to evaluate over 1,000 passes in seconds.
Authors: Zhitao Zhu, Xili Wang, Shizhe Wu, Jiawei Fu, Xiaoqing Liu
Abstract: High-quality data is scarce in large language model (LLM) training, yet how to schedule its use jointly with training dynamics lacks theoretical guidance. We extend functional scaling laws by incorporating a data-quality dimension, and solve the joint data-quality and batch-size scheduling problem in asymptotic closed form. The solution reveals two regimes and a dual role of high-quality data. In the noise-limited regime, high-quality data should be used as a signal amplifier: lowering the batch size converts cleaner data into more signal without amplifying noise. In the signal-limited regime, it should be used as a noise suppressor: late placement reduces terminal noise without sacrificing signal accumulation. Existing curriculum-style pipelines primarily exploit the second role by placing cleaner data late, but miss the first role because conventional decay schedules reduce update intensity exactly when high-quality data becomes available. Guided by this, we propose Drop-Stable-Rampup for LLM midtraining: upon the quality transition, drop the batch size, hold it stable to accumulate signal, then ramp up to suppress terminal noise. On a 15B Mixture-of-Experts model midtrained on 108B tokens, Drop-Stable-Rampup improves average accuracy over Warmup-Stable-Decay (WSD) by +1.70 and over Cosine-decay by +2.98, with particularly large gains on mathematical reasoning benchmarks such as GSM8K (+4.23) and MATH (+2.80).
Authors: Lauri Lov\'en, Nam Do, Hassan Mehmood, Dinesh Kumar Sah, Sasu Tarkoma
Abstract: We prove that no reinforcement learning policy with confidence-gated autonomy can simultaneously achieve maximum helpfulness, optimal calibration, and full autonomy under rational oversight, whenever some tasks exceed the agent's reliable competence: the Behavioral Credibility Trilemma. The impossibility is geometric -- adding any non-affine autonomy incentive to a strictly proper scoring rule destroys strict properness, so an agent rewarded for both calibrated confidence and autonomous action systematically inflates its reported confidence on tasks below the principal's approval threshold. The Behavioral Perturbation Lemma quantifies the inflation (scaling as $w_A/(2 w_C)$ for the Brier score) and shows detection requires $\Omega(1/\Delta^2)$ observations. We prove the principal's optimal oversight rule is necessarily non-affine, making the impossibility unconditional and optimizer-independent across log-concave-density policy families. We formalize the Confidence-Gated Decision Problem, map existing methods onto the trilemma, and identify two constructive resolution pathways (commitment, domain separation). A 540-configuration Best-of-N experiment tests five pre-registered hypotheses, all strongly confirmed (effect sizes $d = 1.10$ to $5.32$), and adds a descriptive analysis of the achievable-$(H, C, A)$ surface geometry showing a plateau-truncated frontier consistent with the predicted inflation saturation.
Authors: Hyungkyu Kang, Byeongchan Kim, Min-hwan Oh
Abstract: Offline goal-conditioned reinforcement learning (GCRL) provides a practical framework for obtaining goal-reaching policies from fixed datasets. However, learning a reliable goal-conditioned value function in long-horizon tasks remains challenging. In this paper, we identify erroneous generalization in goal-conditioned value functions as a fundamental bottleneck, and demonstrate that appropriate inductive bias in the value function is crucial for addressing the bottleneck. Building on these findings, we propose Latent-Aligned Value Learning (LAVL), an offline GCRL algorithm that integrates latent-representation-based value generalization with hierarchical planning in a unified framework. Extensive experiments on OGBench demonstrate that LAVL consistently outperforms existing offline GCRL methods, achieving the highest performance on 20 out of 22 datasets. Notably, LAVL exhibits strong performance in long-horizon tasks and trajectory stitching datasets, where prior methods suffer significant performance degradation. Our code is available at https://github.com/oh-lab/LAVL.git.
Authors: Florian Seiffarth
Abstract: Message-passing neural networks (MPNNs) are a powerful framework for learning representations of graph-structured domains. However, weights in MPNNs act on features only, limiting their ability to capture structural patterns. We introduce a novel structure-aware weight sharing principle that explicitly incorporates information inherent to the graph structure. Weights are indexed directly by user-chosen graph invariants, i.e., functions preserved under node permutations, enabling systematic reuse across structurally equivalent subgraphs. We present ShareGNNs, which instantiate this principle within a simple encoder-decoder architecture, resulting in an MPNN with learnable adjacency and transformer-like connectivity. We show that their expressivity is at least as strong as the discriminative power of the chosen invariants, providing explicit control over the model complexity. Experiments on synthetic and real-world data, as well as subgraph counting tasks, demonstrate consistent improvements over standard MPNNs, competitive expressivity beyond the 1-WL test, and scalability to large datasets.
Authors: Ziyu Zheng, Yaming Yang, Ziyu Guan, Wei Zhao, Xinyan Huang
Abstract: Multi-domain graph pre-training is a crucial step in constructing foundational graph models with cross-domain generalization capabilities. However, existing methods predominantly rely on jointly training all source domain graphs, resulting in high computational costs. Furthermore, it remains unclear whether all source domain graph data contribute equally to effective transfer. This paper empirically reveals significant data redundancy in multi-domain graph pre-training. Based on this finding, we propose the Multi-domain Graph Pre-training Framework, MDGMIX, which combines boundary-aware subgraph mixing with hierarchical discrimination. By selecting boundary nodes to construct challenging mixed-domain subgraphs, MDGMIX employs coarse-grained domain discrimination and fine-grained domain decomposition losses to decouple shared patterns from domain-specific patterns. During adaptation, MDGMIX employs a lightweight prompt weighting mechanism to transfer source domain knowledge. Extensive experiments demonstrate that MDGMIX consistently outperforms strong baselines in few-shot classification tasks while exhibiting superior time and memory efficiency. The code is available at: https://github.com/zhengziyu77/MDGMIX.
Authors: Bocheng Zeng, Rui Zhang, Runze Mao, Mengtao Yan, Xuan Bai, Yang Liu, Zhi X. Chen, Hao Sun
Abstract: Efficiently solving Poisson equations on complex, irregular domains remains a fundamental challenge in scientific computing, as classical iterative solvers often suffer from prohibitive runtime due to ill-conditioned systems. While neural operators offer a fast alternative, they typically rely on large-scale labeled datasets or struggle with unstable training dynamics when using physics-informed residual losses. We propose \textsc{NPSolver}, a neural Poisson solver trained without solution labels via iterative physics supervision. Instead of relying on fully converged numerical solutions or raw PDE residuals, \textsc{NPSolver} utilizes a small number of preconditioned conjugate gradient (PCG) steps to refine its own predictions, providing a more stable and well-scaled training signal. Theoretical analysis confirms that this iterative supervision serves as a well-conditioned error proxy and that a stop-gradient design is essential for optimization stability. To better capture boundary-driven features under mixed boundary conditions, we further introduce the Boundary-Aware Transolver (\textsc{BA-Transolver}) architecture that explicitly separates interior and boundary tokenization. Extensive evaluations on 2D and 3D irregular geometries demonstrate that \textsc{NPSolver} outperforms both physics-informed and data-driven baselines. Furthermore, a downstream thermal control task highlights the model's capability for conducting efficient and reliable gradient-based boundary control. We will release our codes and data at https://github.com/intell-sci-comput/NPSolver.
Authors: Yunlong Hou, Zixin Zhong, Vincent Y. F. Tan
Abstract: We study a stochastic multi-armed bandit problem where an agent is granted a free exploration budget before regret accumulates, a setting not captured by the classic regret minimization or pure exploration paradigms. The goal is to design an adaptive policy that strategically explores the bandit instance in the initial free exploration phase and minimizes the cumulative regret in the subsequent phase. We formalize this regret minimization with free exploration problem and identify an interesting regime where the free exploration budget scales logarithmically with the time horizon. To quantify the amount of regret saved with high probability as a result of the availability of the free exploration phase, we introduce a novel set of policies known as $(\alpha,\beta)$-probably saving policies. We propose a two-phase, probably saving algorithm, UFE-KLUCB-H, which consists of a principled free exploration policy, UFE, and a history-aware regret minimization policy KLUCB-H. Instance-dependent upper bounds on UFE-KLUCB-H are derived, showing that UFE-KLUCB-H accumulates strictly less regret than policies that do not have access to a free exploration phase. Complementarily, we derive instance-dependent lower bounds based on novel multi-instance perturbation arguments tailored to the free-exploration setting, demonstrating the near-optimality of UFE-KLUCB-H for two-valued bandits. Our upper and lower bounds reveal sharp phase transitions in the accumulated regret depending on the amount of available free exploration. Simulations are conducted to demonstrate that forced exploration and adaptivity in the algorithm lead to greater regret savings.
Authors: Joonas J\"alk\"o, Gauri Pradhan, Ossi R\"ais\"a, Antti Honkela
Abstract: Membership inference attacks (MIAs) are popular methods for empirically assessing the leakage of sensitive information in the training data through models or statistics learned from the data. The MIA vulnerability is often evaluated through false positive rate (FPR) and true positive rate (TPR) of a binary classifier that tries to predict whether a particular sample was in the training data. However, in order to reliably estimate the TPR especially for low FPR values, a lot of observations are needed, which in case of MIA translates to many target models, leading to large computational cost. To avoid excessive compute requirements, the MIA scores are often averaged over multiple individuals and multiple targeted models. We demonstrate two key weaknesses in this efficient MIA evaluation pipeline. First, we show that evaluating the TPR based on MIA scores concatenated across multiple individuals, commonly used to study vulnerabilities in the very low FPR regime, is not calibrated across the per-sample FPRs. This makes it unreliable as a tool for auditing differential privacy. To solve this, we propose a post-processing method to effectively calibrate the FPR across different samples. Second, we identify a finite population bias in the commonly used efficient likelihood-ratio attack (LiRA) implementation proposed by Carlini et al. 2022, leading to a positive bias in the per-sample vulnerability.
Authors: Yulin Yuan, Hongshuo Zhao, Xiangming Meng
Abstract: Diffusion-based multimodal large language models (dMLLMs) decode by iteratively predicting tokens at multiple masked positions in parallel. This turns each decoding step into a position-selection problem: the model must choose not only which predictions are reliable in isolation, but also which positions should be committed together as context for later decoding steps. Existing confidence-based decoding ranks masked positions independently and commits the top-K positions, largely ignoring whether the committed tokens provide complementary visual grounding. We identify a step-level limitation of this strategy in multimodal settings: high-confidence tokens selected in the same step can rely on overlapping visual grounding, introducing visual redundancy among the committed tokens and leaving less complementary visual grounding available for later decoding. To quantify this effect, we introduce the Visual Redundancy Index (VRI), which measures visual grounding overlap among tokens committed in parallel. To control this redundancy during decoding, we propose Visual-Redundancy-Controlled Decoding (VRCD), a training-free inference-time decoding method that uses token-to-image attention to prioritize visually complementary positions. Across diverse multimodal benchmarks, VRCD reduces visual redundancy and remaining-position entropy with modest runtime overhead. In longer decoding experiments, it also achieves relative accuracy gains of up to 18.8% on M^3CoT and 6.9% on MMBench over confidence-based decoding. Code will be released at https://github.com/infiniteYuanyl/VRCD.
Authors: Andrey Kozachok, Anatoliy Bakaev, Aleksandr Kozachok, Shamil Magomedov, Artem Noev
Abstract: This paper examines the specialization of Small Language Models (SLMs) with up to 4 billion parameters for generating artifacts in domain-specific languages (DSL). Kubernetes manifests are chosen as the target domain. We propose the context-instrumental data distillation method: the source corpus is formed through synthetic generation and, in an extended scheme, through reverse instruction generation from real Kubernetes YAML files, with pairs included in training only upon passing external validators and matching the domain context model. Unlike classical KL-divergence knowledge distillation, the baseline implementation reduces to supervised fine-tuning on instrumentally verified examples. The experimental section presents a pilot implementation under resource-constrained conditions: the DeepSeek-V4 Flash API serves as the teacher for synthetic generation, while Qwen2.5-Coder-1.5B-Instruct is fine-tuned via LoRA on CPU. On the K8s-Distill-Pilot corpus (train_1200, validation_100, test_200), we achieved full-pass@1 = 91.5% (183/200) with a stricter prompt formulation and max_new_tokens=768. The key empirical finding is that for Kubernetes YAML, result quality in the pilot depended more on strict output format requirements than on simply increasing the number of training examples.
Authors: James Henry
Abstract: Concept probes extracted from transformer residual streams are only as reliable as the layer from which they are extracted. The common practice of probing at a fixed late layer or at the peak of a separation score function ignores a fundamental structural feature: concept representations undergo substantial directional rotation during their assembly phase, and do not settle into a stable direction until a characteristic handoff layer after the primary Concept Allocation Zone (CAZ). We introduce Geometric Evolution Maps (GEMs), which track the full directional trajectory of a concept through residual stream activations, identify the handoff layer where rotation ceases, and extract the settled probe direction from that layer. Across 23 architectures spanning 70M to 14B parameters and 17 concept types, the entry-to-exit cosine similarity within CAZs has a mean of 0.233, showing that probe direction at CAZ entry does not reliably predict probe direction at exit. Ablation experiments across 391 concept x model pairs (23 models x 17 concepts) show that GEM-extracted probes are at least as precise as peak-layer probes in 268/391 trials (68.5%), and strictly outperform in 259/391 (66.2%). The architecture split is pronounced: MHA models favour the handoff in 173/221 trials (78.3%); GQA models favour the handoff in only 56/119 trials (47.1%). Model-level Wilcoxon: W=214, N=23, p=0.010 (one-sided). An adaptive ablation width rule targets the 79/391 near-final-layer cases: it improves probe quality in 60/79 triggered cases (75.9%), mean gain +7.44pp. A direction-specificity control confirms the ablation effect is concept-direction specific: median 377x suppression rate versus random-direction ablation (99.1% of concept directions beat all 10 random seeds). Reference implementation: rosetta_tools v1.3.1 (doi:10.5281/zenodo.20361433).
Authors: Li Wang, Xiaodong Lu, Xiaohan Wang, Yikun Ban, Jiajun Chai, Wei Lin, Tianhao Peng, Guojun Yin
Abstract: Large Language Models (LLMs) have achieved remarkable advancements in reasoning capabilities empowered by Reinforcement Learning with Verifiable Rewards (RLVR). Nonetheless, RLVR intrinsically relies on ground-truth labels for reward computation, the acquisition of which is often prohibitively expensive in real-world scenarios. While unsupervised RLVR paradigms attempt to circumvent this by training on pseudo-labels, they are notoriously susceptible to training collapse. Moreover, different samples often exhibit varying annotation values. In this paper, we propose Reinforcement Learning with Active Verifiable Rewards (RLAVR), which actively acquires ground-truth labels for a small set of selected samples and integrates them with pseudo-labels, thereby stabilizing training dynamics and improving performance under limited annotation budgets. To identify valuable samples, we propose the Corrective Advantage Gap (CAG) metric and analyze the sample-level supervision value. Building on this, we introduce Correction-Aware Reliability Estimation for RLAVR (CARE), which translates the oracle CAG criterion into a practical pre-query acquisition policy to substantially improve training stability. Extensive experiments across diverse domains, model families, and model scales demonstrate the effectiveness and generality of our approach. Our code is available at https://github.com/Lumina04/CARE.
Authors: Laura Sol\`a-Garcia, \`Alex Sol\'e, Javier Ruiz-Hidalgo
Abstract: Accurately predicting crystal properties is critical for accelerating materials discovery, but it is often limited by scarce labeled data and costly theoretical calculations. To alleviate this, we propose UNATE (Unsupervised Atomic Embedding), a framework that leverages structural information extracted from unlabeled crystal structures. UNATE integrates an unsupervised denoising autoencoder with self-supervised contrastive learning to learn robust atomic representations, which are then used as input features for downstream property prediction. Experimental results show that replacing raw atomic numbers with UNATE-pretrained node embeddings yields a 2.7\% improvement over the full-data baseline. Notably, the benefits become more pronounced in scenarios with limited labeled data, reaching improvements of up to 10\% when only 25\% of the labeled data is used.
Authors: Yiping Ji, Mahalakshmi Sabanayagam, Peyman Moghadam, Hemanth Saratchandran, Simon Lucey
Abstract: Large-scale transformer training and deployment are increasingly constrained by the transfer of activations, gradients, and optimizer states across accelerators. Low-bit quantization offers a natural remedy, but transformer activations are often heavy-tailed and outlier-dominated, making simple quantization highly lossy. We show that this difficulty is not only a property of the quantizer, but also of the architecture. Specifically, residual connections can drive transformer activations away from Gaussianity during training. Using controlled comparisons between residual and residual-free transformers, we demonstrate that this effect leads to substantially higher quantization error and accuracy degradation at low precision in residual models. We explain the phenomenon through an excess kurtosis analysis, showing that residual mixing can amplify non-Gaussianity, whereas dense mixing in residual-free contracts non-Gaussianity. We then show that residual-free transformers can be made trainable using orthogonal initialization, spectral or second-order optimization, and depth-aware scaling of attention temperature. In language tasks, while there is a small drop in full precision performance, these models retain near-Gaussian activations and exhibit significantly improved robustness to low-bit quantization. Our results identify an accuracy--compressibility trade-off in transformer design and motivate architecture-level approaches to quantization-friendly foundation models.
Authors: Yu Chen, Scott Ferson
Abstract: Recent advances in uncertainty quantification increasingly emphasise the distinction between aleatory and epistemic uncertainty in machine learning, motivating the need for more unified frameworks. However, despite much progress in producing reliable predictions, existing methods often lack rigorous guarantees when generalising beyond the training domain. We propose a conformalised imprecise inference framework for robust extrapolation, which is model-agnostic and augments predictive models with imprecision and distance awareness. The proposed approach yields imprecise predictions (probability boxes) that remain valid under distributional shift, maintaining coverage while adaptively expanding uncertainty in extrapolation regimes. Experiments on synthetic and benchmark datasets demonstrate improved robustness and reliable coverage compared to standard probabilistic approaches, particularly under limited data.
Authors: Xi Chen, Yuze Chen, Ziyi Chen, Yuan Zhou
Abstract: We study how an e-commerce firm should make real-time fulfillment decisions in a two-layer distribution network when multi-item customer orders arrive sequentially and future demand is unknown. The central managerial tension is whether to use scarce front distribution center (FDC) inventory to save current fulfillment cost or preserve that inventory for future orders that may be more valuable to serve locally. We formulate an adversarial online model with multiple FDCs, one regional distribution center (RDC), multi-unit multi-item orders, and item-specific and time-varying variable costs. Our theoretical objective is to characterize when simple, interpretable, and implementable fulfillment rules can perform nearly as well as an optimal clairvoyant planner. We develop a family of Gated Priority-based Greedy policies, derive competitive-ratio guarantees under both time-varying and time-invariant cost structures, and establish matching or near-matching lower bounds for any online algorithm. Numerical experiments show that the proposed policies perform strongly relative to generalized myopic and forecast-based benchmarks. The analysis yields managerial guidance on when local inventory should be protected, when splitting orders is worth the fixed-cost burden, and how the relative magnitudes of fixed and variable costs determine the value of more sophisticated optimization.
Authors: Benedikt Schesch, Michael D. Ernst
Abstract: This paper applies machine learning to the difficult and important task of version control merging. (1) We constructed a dataset, Merge-Bench, of 7938 real-world merge conflict hunks from 1439 GitHub repositories. The ground truth is the merge resolution that developers committed to the repository. Our dataset construction methodology is scalable to arbitrary amounts of data since no manual labeling is required. (2) We trained a model, LLMergeJ, to resolve merge conflicts in Java programs. Our approach uses Group Relative Policy Optimization (GRPO), an online reinforcement learning method, to train a Large Language Model (LLM). (3) We performed two evaluations of the performance of LLMs on resolving merge conflicts. On Java programs, LLMergeJ with 14B parameters outperforms 3 commercial LLMs, trailing only Gemini 2.5 Pro. Across 11 programming languages, commercial LLM performance is largely stable from language to language. The best models correctly resolve less than 60% of merge conflicts.
Authors: Manuel Noseda, Nathan Soldati, Marco Paina
Abstract: Predicting stock price movements during Earnings Announcements (EAs) is a significant challenge due to market noise and high-impact price discontinuities. In this study, we evaluate whether pre-announcement news sentiment, firm fundamentals, and recent market dynamics jointly predict the directional price movement of equities on EA days. We construct a multi-modal feature space combining 15 fundamental metrics, 3 price-based technical indicators and sentiment scores derived from financial news articles processed using FinBERT. We compare a Long Short-Term Memory (LSTM) network and a Transformer-based architecture against a logistic regression baseline, and further assess all models with and without sentiment features to quantify their incremental value. Our results indicate that while the LSTM demonstrates higher precision through a conservative safe-bet strategy, the Transformer model exhibits superior sensitivity in identifying volatile movements, achieving a higher macro F1-score, with ablation experiments showing a consistent benefit from incorporating news sentiment.
Authors: Micha{\l} Brzozowski, Zuzanna Dubanowska, Enrico Cassano, Neo Christopher Chung
Abstract: Narrowly finetuned language models memorize implanted content verbatim, but auditing what a deployed model has been taught, without access to its weights or training data, remains an open challenge. Recent work shows that activation differences between base and finetuned models carry readable traces of the finetuning domain; the state-of-the-art Activation Difference Lens (ADL) recovers a vague domain-level description but requires full "white-box" access to model internals. We introduce Contrastive Decoding Diffing (CDD), a model diffing method that operates on output-level logit distributions only, with no weight access, no layer selection, and no per-model tuning, yet recovers implanted facts. CDD consists of three ideas: bypassing the chat template to expose the raw finetuning prior, seeding generation with maximally vague pre-fills, and amplifying the logit-space difference between finetuned and base models at each decoding step. A single default configuration recovers implanted facts verbatim -- exact drug names, vote counts, physical measurements, and procedural details -- across four architectures (1B--32B parameters), uniformly outperforming ADL despite less access and running ~170x faster. Furthermore, CDD surfaces unintended data pipeline artifacts: a fictional persona introduced by the LLM data generator via mode collapse leaked into model weights and was extracted by CDD, constituting to our knowledge the first demonstrated end-to-end fingerprinting chain from data generator artifact to model weights to recovered output. We validate on real-domain finetuning settings, achieving near-perfect recovery across all single-dataset non-CoT variants and correctly identifying all four datasets in the mixed-dataset setting. CDD's success as a grey-box method outperforming white-box baselines underscores its practical utility for transparency and accountability in AI systems.
Authors: Zhen Li, Jun Cai, Chao Yang, Haoran Gao
Abstract: Federated edge learning (FEEL) has recently emerged as a promising paradigm for achieving edge intelligence (EI) via enabling collaborative model training across edge devices while protecting data privacy. In this paper, we put forth an online optimization framework that jointly manages federated training and inference on resource-constrained edge devices. We introduce a tandem-queue-inspired conversion mechanism that bridges inference requests and training data, and further incorporate both data and model freshness into the accuracy formulation to capture temporal dynamics in real-world environments. To maximize inference accuracy while minimizing latency and energy consumption, the mode selections, communication, and computation resource allocations of edge devices are jointly optimized. We formulate this optimization as a multi-objective optimization problem, which is NP-hard and further complicated by the online setting. To address these challenges, we transform the problem into a multi-objective Markov decision process (MOMDP) and develop a \underline{c}onstrained \underline{m}ulti-\underline{o}bjective \underline{p}roximal \underline{p}olicy \underline{o}ptimization (C-MOPPO) algorithm. Specifically, C-MOPPO first learns a set of policies with different preferences across three objectives, then leverages constrained policy optimization to enrich the Pareto front and obtain high-quality, dense solutions. Extensive experiments demonstrate that C-MOPPO achieves well-balanced trade-offs among objectives and significantly outperforms baselines under various system configurations.
Authors: Nicolas Ricka, Gauthier Pellegrin, Denis A. Fompeyrine, Thomas Rohaly, Leah Enders, Heather Roy
Abstract: Posttraumatic stress disorder (PTSD) is a prevalent and debilitating mental health condition with significant personal and societal impacts. Current clinical assessments of PTSD often rely on subjective evaluations, which can be time-consuming, costly, and prone to human bias. This study proposes a machine learning (ML) approach based on multivariate kernel density estimation (MKDE) technique for the objective evaluation of PTSD severity. We collected heart rate (HR) and galvanic skin response (GSR) signals as well as PTSD Checklist - Military Version (PCL-M) labels from 21 participants during an immersive simulation. A fear-response model was trained on a public arachnophobia dataset, and predictive features of PTSD were extracted from the fear-response curves estimated on the military dataset. The model achieved an accuracy of 86\% in classifying PTSD status, effectively distinguishing participants with and without PTSD (PCL-M threshold of 36). The average mean absolute error (MAE) of the models is 5.6, and it estimated a clinical PTSD severity scale with a mean absolute percentage error of 17\%. Our algorithm demonstrates promising potential for enhancing estimation of PTSD severity and followup by offering an objective and low-effort evaluation approach using physiology. These findings suggest clinical utility in both screening and follow-up settings.
Authors: Enrique Alba, Ezequiel Lopez-Rubio
Abstract: We here study whether training biases can make hidden neurons specialize in minimal one-hidden-layer MLPs, and whether such specialization improves prototype-based reconstruction of the training dataset from the learned weights. We consider Gaussianactivation MLPs of width equal to dataset size and compare three structural losses that respectively encourage coverage of the training samples, separation between neuron-induced prototypes, and low overlap of hidden responses, against the standard fitting baseline. Experiments on uniformly sampled one-dimensional datasets show a stable pattern from N = 3 to N = 100 across 480 controlled runs. Coverage regularization gives the lowest mean reconstruction error at every tested size and raises the prototype-usage specialization ratio relative to the standard baseline, while separation has mixed effects and overlap penalties are systematically harmful. We show that the harm is not an optimization failure: overlap-active approaches fit the data as well as overlap-free ones but route the optimizer to a degenerate equilibrium in which prototype centers are pushed outside the convex hull of the training inputs. Coverage cannot reward this expulsion and acts as an attractor: separation admits it only at large temperature and overlap admits it at the nominal hyperparameter choice. A direct {\tau}-sweep on the separation-only mask and a prototype-position visualization at N = 100 confirm the mechanism. The findings yield a simple design principle for prototype-recoverability-aware training: every repulsive structural loss must be compensated by a compatible attractor, or it will collapse the latent geometry it was meant to refine.
Authors: Hui Cheng, Jinsheng Guo, Zhenhao Weng, Yan Qiao, Meng Li
Abstract: Recent research in time series forecasting frequently investigates the integration of textual and visual modalities with numerical models to better navigate non-stationary environments. Despite delivering solid numerical results, existing multi-modal approaches usually encounter a dilemma: prioritizing the minimization of average errors can result in excessively smooth forecasts that overlook essential fluctuations. To resolve this limitation, we introduce STaT, an innovative multimodal architecture for Symbolic-Temporal-Textual Alignment, which seamlessly unites three synergistic modalities. Specifically, the symbolic modality converts continuous time series into discrete tokens, facilitating the accurate identification of structural patterns and turning points; the temporal modality extracts inherent sequential dependencies; and the textual modality leverages domain semantics to steer the macroscopic forecasting trends. Comprehensive evaluations on eight real-world benchmarks indicate that STaT delivers exceptional performance, enhancing conventional magnitude indicators by up to 8.9% while simultaneously decreasing shape distortion by up to 8.5%.
Authors: Shyam Sankaran, Hanwen Wang, Paris Perdikaris
Abstract: Neural PDE solvers have followed the scaling trajectory of vision and language, with recent foundation models reaching billions of parameters. We argue that scale is a poor substitute for architectural inductive bias in this domain: structured priors deliver outsized parameter efficiency, and the pattern of where they succeed and fail is itself informative about what they capture. We instantiate this argument in WaveLiT, an architecture combining a discrete wavelet transform for lossless multi-resolution tokenization, an augmented linear attention block, a shared-weight multiscale feature pyramid, and a wavelet-domain auxiliary loss. Bespoke 1-10M-parameter WaveLiT models compete with foundation models of 100-1000$\times$ their size across eight TheWell benchmarks, with the largest gains on wave and acoustic-dominated benchmarks where the wavelet-multiscale prior fits the dominant dynamical structure and small per-step errors do not compound geometrically under rollout. Trained jointly across all eight benchmarks, a 10M-parameter foundation variant exhibits a structured, physically interpretable transfer pattern -- strongest where the wavelet-multiscale prior matches the dynamics, weakest on chaotic advection-dominated flows. The entire pipeline trains on a single GPU. The results suggest that small-model PDE performance is shaped by architectural inductive bias rather than scale, and that the structure of a prior's failures is a useful empirical signal about its content.
Authors: Mengfan Liu, Da Zheng, Junwei Su, Chuan Wu
Abstract: Despite the strong reasoning capabilities of large language models (LLMs), optimizing the execution efficiency of tensor programs remains challenging due to the need for precise, composable transformation decisions. Recent LLM-guided approaches frame tensor program optimization as an iterative decision process, but existing datasets provide only end-to-end optimized program pairs using token-inefficient representations, lacking verifiable step-level supervision and interpretability. As a result, LLMs struggle to make reliable single-step decisions in large combinatorial optimization spaces. We introduce Step-TP, a post-training dataset for tensor program optimization that provides grounded, atomic, step-level supervision with structured chain-of-thought (CoT) reasoning. Step-TP forms a closed reasoning loop over intermediate program states, enabling reliable multi-step optimization rather than outcome imitation. Its design is guided by four principles: (i) a token-efficient, verifiable intermediate representation (IR) that deterministically lowers to TVM TIR; (ii) atomic and composable optimization strategies that decompose complex trajectories into interpretable single-step decisions; (iii) structured CoT supervision coupled with explicit IR-to-IR state transitions; and (iv) strategy filtering to balance coverage while preventing shortcut exploitation. The dataset and implementation are available at a GitHub link, https://github.com/LIUMENGFAN-gif/StepTP.
Authors: Christian Brandt Thomassen
Abstract: We test whether the optimal learning-rate schedule depends on bit-width during from-initialisation quantisation-aware training (QAT) for sub-100M decoder language models. A 720-run factorial grid (Phase 2) over bit-width x warmdown fraction x LR magnitude x model size x seed (FP16/INT8/INT6, 15M-100M, 5 seeds) finds the optimal warmdown is 33% at every (bit-width, size) cell. The primary hypothesis -- that INT6 QAT requires a different schedule than higher-precision training -- is falsified at FP16/INT8/INT6. A 625-run follow-up (Phase 5) probes the null along five axes: optimiser (AdamW), schedule shape (cosine), training length (up to 9x more iterations), an extended size sweep (5M-350M), and an INT4 sweep from 3M to 100M. The null is robust under all three setup changes. The INT6 penalty follows a log-linear scaling law whose fit on Phase 2 predicts the five held-out Phase 5 sizes (5M, 8M, 175M, 250M, 350M) within their 95% prediction intervals (5/5). For INT4 the picture is sharper than the higher precisions: at 50M and 100M, wd33 is decisively optimal (paired z ~ 12-15, 10/10 seeds); below 50M, across the six tested sizes from 3M to 30M, no individual size shows a statistically significant schedule preference and the per-size mean penalty oscillates within seed-level noise. The boundary is therefore a transition between a noise-dominated regime below 50M and a decisive wd33 regime at and above 50M, not a clean wd10 region. A weight-to-grid-distance probe falsifies the simplest mechanism for the FP16/INT8/INT6 null result (rapid grid-snapping): pre-warmdown, INT6-QAT weights sit at essentially the same distance from the INT6 grid as FP16 weights (ratio ~ 1.04). Practical recommendation: at sub-100M scale, tune the LR schedule once at FP16 and apply unchanged to INT8/INT6 QAT; for INT4 at 50M+ use wd33; for INT4 below 50M the schedule choice is in the noise.
Authors: Georgios Milis, Yubin Qin, Yihan Wu, Heng Huang
Abstract: As policy catches up with the capabilities of generative AI, watermarking is central to content provenance efforts. Inference-time watermarks for autoregressive models are unfit for continuous modalities due to discretization inconsistencies. Existing methods overcome this by finetuning the modality tokenizers, nullifying the watermark's training-free advantage. In this work, motivated by the vocabulary redundancy of discretization, we propose an elegant solution for powerful and robust watermarking of synthetic audio. We theoretically analyze the impact of token errors on watermark detection, and effectively mitigate them using a reduced vocabulary obtained via community detection. Thorough experiments showcase that our gradient-free method can boost detectability by several orders of magnitude, while also achieving built-in robustness to audio modifications. Broadly, we discover a new state-of-the-art for token-level watermarks in multimedia, which simply arises from the nature of discrete representation learning.
Authors: In\'es Gonzalez-Pepe, Hiba Akhaddar, Tristan Glatard, Yohan Chatelain
Abstract: We introduce Fuzzy PyTorch, a framework for rapid evaluation of numerical variability in deep learning (DL) models. As DL is increasingly applied to diverse tasks, understanding variability from floating-point arithmetic is essential to ensure robust and reliable performance. Tools assessing such variability must be scalable, efficient, and integrate seamlessly with existing frameworks while minimizing code modifications. Fuzzy PyTorch enables this by integrating stochastic arithmetic into PyTorch through Probabilistic Rounding with Instruction Set Management, a novel library interfacing with Verificarlo, a numerical analysis compiler. The library offers stochastic rounding mode and a novel mode; up-down rounding. Comparative evaluations show Fuzzy PyTorch maintains model performance and achieves runtime reductions of 5x to 60x versus Verrou, a state-of-the-art tool. We further demonstrate scalability by running models from 1 to 341 million parameters, confirming applicability across small and large DL architectures. Overall, Fuzzy PyTorch provides an efficient, scalable, and practical solution for assessing numerical variability in deep learning, enabling researchers and practitioners to quantify and manage floating-point uncertainty without compromising performance or computational efficiency.
Authors: El Mustapha Mansouri, Keigo Arai
Abstract: Benchmarks increasingly guide deployment, procurement and scientific screening, yet a score supports only the response it records, not necessarily the deployment action. We introduce deployment-complete benchmarking, which tests whether benchmark evidence determines a deployment action. A benchmark is complete for a claim exactly when the action is constant on each evidence fiber; mixed fibers expose missing deployment information, and completion curves quantify the evidence required to resolve ambiguity. In controlled response spaces, benchmark-channel conformal coverage of 94.98% transferred poorly to an unmeasured deployment channel (10.07%), whereas response-rank intervals achieved 94.91% coverage; even zero benchmark error certified only 45.4% of candidates at the largest residual size. Public audits revealed incompleteness, including 97.9% mixed Tox21 fibers and zero median certifiable fraction in main Matbench and JARVIS audits. In held-out replays, certify-then-acquire reduced false decisions from 1.19% to 0.027% in Tox21 and from 20.3% to 0.128% in JARVIS, while changing model choice and identifying deployment-relevant probes. Deployment-ready benchmarks should report evidence, supported actions, ambiguity and completion cost rather than scores alone.
Authors: Dennis Frauen, Marie Brockschmidt, Konstantin Hess, Haorui Ma, Yuchen Ma, Abdurahman Maarouf, Maresa Schr\"oder, Jonas Schweisthal, Yuxin Wang, Athiya Deviyani, Sonali Parbhoo, Rahul G. Krishnan, Stefan Feuerriegel
Abstract: Large language model (LLM) development is currently driven by large-scale empirical iteration over data mixtures, reward models, routing strategies, and evaluation pipelines. Here, we argue that many central questions in LLM development and evaluation are inherently causal: What is the effect of adding a data domain during pretraining? How do annotator preferences change when LLMs generate text in a different style? Should a prompt be routed to a larger or smaller model given inference cost constraints? In general, causal methods are well-suited to such settings where interventions change outcomes but, surprisingly, are underrepresented in LLM development. Our contribution is threefold: (1) We explain how causal methods can help develop modern LLM development and evaluation: LLM development relies heavily on logged data, which are often subject to confounding and distribution shifts; evaluation uses learned but potentially biased judges; and deployment environments are non-stationary. These conditions make purely predictive approaches fragile and create opportunities for principled identification and estimation methods from causal inference. (2) We further map opportunities for causal methods in the entire LLM development pipeline, including pretraining, alignment, routing, agentic workflows, and evaluation. (3) We discuss new research opportunities around leveraging causal methods for LLM development and evaluation. Overall, we argue that causal methods are potentially underutilized for the LLM development and evaluation pipeline, despite the fact that such methods can ensure a reliable and scientifically grounded design.
Authors: Aleksandar Todorov, Matthia Sabatelli
Abstract: Deep reinforcement learning (RL) agents commonly rely on high-dimensional neural representations, despite growing evidence that task-relevant value and policy structure may be intrinsically low-dimensional. In this work, we present a simple yet effective representation-level prior that inserts a fixed orthonormal projection to constrain encoder features to a low-dimensional subspace, requiring no auxiliary objectives, pretraining, or changes to the underlying RL algorithm. Under a linear realizability assumption, we prove that when the bottleneck dimension exceeds the intrinsic rank of the optimal value function in feature space, the bottleneck preserves expressivity and leaves the induced gradient dynamics unchanged up to an equivalent low-dimensional parameterization. Empirically, we find that across both single and multi-task benchmarks, baseline performance is either matched or improved once the bottleneck dimension exceeds a small task-dependent threshold; in many cases, value representations can be compressed to extremely low dimensions without loss, and the minimal sufficient dimension depends far more on environment complexity than encoder width. In addition, we analyze representation geometry and find that orthogonal bottlenecks stabilize feature norms and are associated with higher effective rank. Together, these results support a representation-space interpretation of the manifold hypothesis in reinforcement learning and position orthogonal bottlenecks as a lightweight, architecture-agnostic mechanism for shaping RL representations.
Authors: Branislav Kveton, Anup Rao, Subhojyoti Mukherjee, Krishna Kumar Singh, Viet Dac Lai
Abstract: We introduce AdvantageFlow, a forward-process reinforcement learning algorithm for rectified flow models. Unlike Flow-GRPO, which optimizes the reverse process, we optimize an advantage-weighted forward-process prediction loss. This optimization problem is unstable when advantages are negative and the loss becomes non-convex. We stabilize it by rollout policy regularization, which reduces variance and arises from fitting a local reward-improving target distribution. We evaluate AdvantageFlow on image generation tasks with Stable Diffusion 3.5 Medium. It outperforms both Flow-GRPO and a state-of-the-art forward-process RL baseline based on negative-aware fine-tuning.
Authors: Christoffer Loeffler, Tom\'as Rey Pizarro, Daniel Ignacio Miranda V\'asquez, Andrea Mart\'inez Freile
Abstract: Online Terms of Service often function as contracts of adhesion, creating asymmetries that may expose consumers to potentially abusive clauses. In Chile, assessing such clauses is legally challenging because some provisions clearly violate mandatory consumer law, whereas others depend on broader standards such as good faith and contractual imbalance. We present a retrieval-augmented generation framework for the automated detection and classification of potentially abusive clauses in Chilean Terms of Service. Designed for local execution, it combines efficient clause detection, hybrid dense--sparse retrieval, reranking, and prompt augmentation to support medium-sized open-weight language models. We also introduce the Chilean Abusive Terms of Service Extended corpus, comprising 100 contracts and 10,029 annotated clauses in 24 legally grounded categories spanning illegal, dark, and gray clauses. Experiments comparing commercial and open-weight language models, fine-tuned encoders, and traditional baselines show that retrieval-augmented prompting substantially improves performance and enables local models to approach larger cloud-based systems at lower computational and token cost. The study also contributes a refined legal annotation scheme and a practical design for AI-assisted consumer contract review.
Authors: Charles Pert, Dalal Alrajeh, Alessandra Russo
Abstract: Length generalization remains a persistent challenge for neural networks: recurrent models tend to suffer from positional biases, while transformers are constrained by fixed computational depth. Regular languages provide a frequently used testbed for evaluating length generalization, as label prediction can be checked for any sequence length. We propose MLP-LDRU, a type of Log-Depth Recurrent Unit, which captures a class of associativity-biased operators designed to approximate recurrence through parallel reduction. We evaluate MLP-LDRU on 21 regular-language tasks, consisting of standard benchmarks and new prefix languages, where it achieves 100% out-of-distribution accuracy on 18 tasks and at least 99.9% on the remaining 3 when increasing max training length, outperforming comparable recurrent and attention-based models. We further evaluate MLP-LDRU beyond regular languages on ListOps and NLP classification benchmarks, where it performs competitively.
Authors: Waleed Razzaq, Yun-Bo Zhao
Abstract: Reliable quantification of uncertainty estimates in continuous-time (CT) representation learning remains nascent, particularly within CT attention architectures. We introduce the Neuronal Stochastic Attention Circuit (NSAC), a novel biologically-inspired CT attention architecture that reformulates attention logit computation as the solution of an Ornstein-Uhlenbeck stochastic differential equation modulated by input-dependent, nonlinear interlinked gates derived from repurposed C.elegans Neuronal Circuit Policies (NCPs) wiring mechanism. It induces Gaussian distribution over logits that propagates principled stochasticity through logistic-normal distribution over attention weights to yield probabilistic output. A two-term objective function combining Gaussian negative log-likelihood with an epistemic-separation regularizer enforces higher predictive variance and enables joint quantification of aleatoric and epistemic uncertainty. Empirically, we implement NSAC in a diverse set of learning tasks including: (i) irregular CT function approximation; (ii) multivariate regression; (iii) long-range forecasting; (iv) Industry 4.0; and (v) the lane-keeping of autonomous vehicles. We observe that the NSAC remains competitive against several baselines in terms of accuracy and produces reasonably well-calibrated uncertainty estimates while being interpretable at the neuronal cell level.
Authors: Rustem Takhanov, Zhenisbek Assylbekov
Abstract: Conditionally positive definite (CPD) kernels are defined with respect to a function class $\mathcal{F}$. It is well known that such a kernel $K$ is associated with its native space (defined analogously to an RKHS), which in turn gives rise to a learning method -- called conditional kernel ridge regression (conditional KRR) due to its analogy with KRR -- where the estimated regression function is penalized by the square of its native space norm. This method is of interest because it can be viewed as classical linear regression, with features specified by $\mathcal{F}$, followed by the application of standard KRR to the residual (unexplained) component of the target variable. Methods of this type have recently attracted increasing attention. We study the statistical properties of this method by reducing its behavior to that of KRR with another fixed kernel, called the residual kernel. Our main theoretical result shows that such a reduction is indeed possible, at the cost of an additional term in the expected test risk, bounded by $\mathcal{O}(1/\sqrt{N})$, where $N$ is the sample size and the hidden constant depends on the class $\mathcal{F}$ and the input distribution. This reduction enables us to analyze conditional KRR in the case where $K$ is positive definite and $\mathcal{F}$ is given by the first $k$ principal eigenfunctions in the Mercer decomposition of $K$. We also consider the setting where $\mathcal{F}$ consists of $k$ random features from a random feature representation of $K$. It turns out that these two settings are closely related. Both our theoretical analysis and experiments confirm that conditional KRR outperforms standard KRR in these cases whenever the $\mathcal{F}$-component of the regression function is more pronounced than the residual part.
Authors: Xu Yao, Siyuan Zhou, Zhenbo Wu, Chaochuan Hou, Shuang Liang, Shiping Wang, Hailiang Huang, Songqiao Han, Minqi Jiang
Abstract: Weakly supervised anomaly detection (WSAD) has developed in three primary directions: incomplete, inexact, and inaccurate supervision. However, these directions remain isolated, lacking a unified framework to assess whether they address unique challenges or share fundamental mechanics. This paper introduces WSADBench, the first benchmark that unifies evaluation across distinct weakly supervised scenarios, benchmarking diverse approaches from specialized WSAD methods to advanced tabular foundation models. WSADBench establishes standardized protocols to evaluate 36 algorithms across 4 modalities by systematically varying label quantity, granularity, and quality, revealing the performance boundaries of various methods. Based on over 700K experiments, WSADBench reveals four critical insights: (i) Strong intrinsic correlations exist between these weak supervision scenarios, challenging the isolation of current research directions. (ii) Specialized WSAD algorithms excel only in extreme label-scarcity regimes but are quickly dominated by tabular foundation models and general classification methods as supervision increases or in OOD scenarios. (iii) Unlabeled data shows inconsistent utility across settings, with marginal gains compared to label refinement. (iv) Models exhibit asymmetric sensitivity to different types of label noise. We release WSADBench as an open-source benchmark with code and datasets to facilitate future WSAD research: https://github.com/SUFE-AILAB/WSADBench.
Authors: Namrata Nadagouda, Nauman Ahad, Maegan Tucker, Mark A. Davenport
Abstract: Efficient learning of user preferences is crucial for many modern decision making systems but typically requires costly labeled data. Active learning reduces this cost, yet standard methods are computationally expensive due to pool-based evaluation. Further, most methods assume all query feedback is equally reliable, ignoring that pairwise queries between nearly identical or entirely dissimilar items yield ambiguous, low-confidence responses. To address the issue of feedback reliability, we introduce a novel confidence aware response model that explicitly accounts for these ambiguous comparisons. To overcome the computational bottleneck of pool-based evaluation, we propose an active query synthesis framework, Info-Synth that generates optimal queries by maximizing a mutual information-based objective within a continuous space. Moreover, we propose two strategies, Pair M-dist and Pair Opt-dist, that extend Info-Synth to select effective queries even when restricted to finite query pools. We demonstrate our framework's versatility and performance across synthetic preference learning, constrained text summary datasets, and subjective, continuous-space controller gain tuning for a simulated mobile robot.
Authors: Zhaoyu Zhu, Rui Gao, Shuang Li
Abstract: Wasserstein policy gradient (WPG) is a policy optimization method for reinforcement learning (RL) that exploits the optimal-transport geometry of action distributions. For the entropy-regularized RL objective, WPG evolves each state-conditional policy by transporting it along the action gradient of the soft Q-function together with a Langevin-type diffusion. Despite its appeal for continuous-control problems, its global convergence properties remain poorly understood. Standard Langevin analyses do not directly apply, because the RL objective depends on the policy through the Bellman recursion rather than through a static convex functional, and the Langevin drift is determined by the soft Q-function, whose regularity must be controlled along the policy iterates. In this paper, we develop a global convergence theory for WPG by exploiting the Bellman structure of entropy-regularized RL. We show that the role usually played by convexity can be replaced by a Bellman-based argument: the soft Bellman residual admits a statewise KL representation with respect to a Gibbs policy; Bellman contraction relates this residual to the global optimality gap; and a Bellman resolvent identity connects value improvement to relative Fisher information. Combined with a uniform log-Sobolev inequality (LSI) for the evolving Gibbs family, these ingredients yield a distributional Polyak--\L{}ojasiewicz condition. We further establish the regularity and uniform bounds needed to control the discretization error, thereby obtaining geometric contraction up to a discretization bias. Conceptually, our analysis shows that although entropy-regularized RL is not convex in the usual flat sense, the Bellman recursion induces a favorable Polyak--Lojasiewicz-type (PL) geometry that supports global convergence of WPG.
Authors: Maoyang Xiang, Bo Wang, Tao Luo
Abstract: The deployment of Large Language Models (LLMs) and Vision Transformers (ViTs) on edge devices is significantly constrained by memory limitations and the critical timing bottlenecks introduced by dense Multiply-Accumulate (MAC) arrays. In the ultra-low bit regime, logarithmic Power-of-Two (PoT) quantization provides a hardware-efficient alternative by replacing MAC operations with bit-shifts. However, the non-uniform exponential lattice is inherently limited by a \textbf{Low Angular Resolution Regime}, a structural flaw that becomes particularly pronounced at sub-4-bit thresholds, leading to a notable degradation of high-dimensional feature manifolds. To address this geometric limitation, we propose Orthogonal Residual Projection (ORP), an algorithm-hardware co-design framework. By formulating quantization as a dual-basis geometric projection, ORP adaptively synthesizes a higher-resolution residual lattice using strictly shift-and-add operations. Furthermore, ORP's analytical solver offers a practical alternative to computationally intensive gradient-based optimization, reducing the full-model calibration time for LLaMA-2-7B to approximately \textbf{15 minutes}. Extensive evaluations demonstrate ORP's applicability across modalities and its hardware efficiency. Under the 3-bit (W3/A16) constraint, ORP achieves a perplexity of 6.10 on LLaMA-2-7B, comparing favorably to conventional MAC-intensive baselines like AWQ without relying on asymmetric scaling, while maintaining competitive accuracy in 4-bit scenarios. At the silicon level, standard-cell RTL synthesis at a 28nm node indicates that ORP effectively mitigates the timing bottlenecks associated with dense multiplier trees.
Authors: Jinwoo Go, Xiaoning Qian, Byung-Jun Yoon
Abstract: Bayesian optimal experimental design (BOED) selects experiments to maximize information gain about model parameters. However, in decision-critical settings, reducing parameter uncertainty does not necessarily improve downstream decisions, as only specific parameter directions relevant to the objective truly matter. We propose GoBOED, a goal-driven BOED framework that directly optimizes experimental designs for a specified decision-making objective. GoBOED combines an amortized variational posterior surrogate with a differentiable convex decision layer, enabling gradient-based design optimization that is fully decision-focused. We theoretically show that GoBOED gradients are insensitive to parameter directions irrelevant to the decision objective, providing a formal justification for why goal-driven design achieves equivalent decision quality over a wider set of experimental designs than information-gain maximization. Empirically, across source localization, epidemic management, and pharmacokinetic control, GoBOED identifies designs that better align with downstream decision objectives and reveals that near-optimal design windows are substantially wider than those predicted by goal-agnostic BOED approaches.
Authors: Martin Marek, Dongkyu Cho, Shikai Qiu, Rumi Chunara, Pavel Izmailov, Andrew Gordon Wilson
Abstract: Models trained on a new task typically degrade on prior tasks, a phenomenon known as forgetting. Traditionally, mitigating forgetting has required replaying stored exemplars from prior tasks, which is often impractical. By contrast, language models can sample from their own training distribution, and we show that these self-generated samples serve as effective replay data, nearly eliminating forgetting. We find that forgetting nonetheless persists when the model has little remaining capacity: models pretrained close to saturation cannot absorb new information without overwriting prior knowledge. When capacity is not the limiting factor, low learning rates reduce forgetting but require substantially more training steps. Replay breaks this tradeoff, enabling fast, high-learning-rate finetuning without forgetting.
Authors: Sanghyun Lee, Chunsan Hong, Seungryong Kim, Jonghyun Lee, Jongho Park, Dongmin Park
Abstract: Masked diffusion models (MDMs) have emerged as a promising alternative to autoregressive models for language modeling, yet the effective design of transformer architectures for MDMs remains underexplored. In this paper, we show that selectively looping the early-middle transformer layers significantly improves both training efficiency and model performance in MDMs. We call this approach LoopMDM(Looped Masked Diffusion Model), which brings two key benefits: looping layers at training-time yields a depth-scaling effect without adding parameters, while varying the number of loops at inference-time enables flexible compute scaling. Despite the simplicity, the results are striking: across multiple pre-training corpora, LoopMDM matches the performance of same-size MDMs with up to 3.3 fewer training FLOPs, while its final performance outperforms them on various reasoning benchmarks, including up to 8.5 points on GSM8K. It even surpasses deeper non-looped MDMs trained with comparable per-step compute, indicating that selective looping is more effective than naive depth scaling. Furthermore, LoopMDM can scale inference-time compute by increasing the number of loops. Adaptively adjusting the number of loops throughout the sampling process further yields additional gains in compute efficiency while maintaining performance. Lastly, with attention analysis, we provide evidence that looping is effective in MDMs by promoting interactions among masked positions. Our code and weights will be publicly released.
Authors: Jun-Tao Tang, Yu-Cheng Shi, Zhen-Hao Xie, Da-Wei Zhou
Abstract: Multimodal Large Language Models (MLLMs) achieve versatility by reformulating diverse tasks into a unified instruction-following framework via instruction tuning. However, real-world deployment requires continuous adaptation to emerging tasks, motivating Multimodal Continual Instruction Tuning (MCIT). Despite its growing importance, current MCIT research is hindered by severe engineering bottlenecks. Existing methods are typically implemented by directly modifying the base MLLM codebase, which imposes substantial implementation overhead and yields method-specific architectures that severely limit code reuse and fair comparison. To address this, we introduce Prism, a plug-in reproducible codebase specifically designed for scalable MCIT research. It separates algorithmic development from the backbone implementation via a lightweight plugin registration mechanism, enabling new strategies to be integrated as independent plugins without modifying the underlying MLLM codebase, thereby eliminating structural fragmentation and accelerating method development. Prism natively supports widely used large-scale training pipeline, thereby enabling reproducible and scalable MCIT experimentation. Code is available at https://github.com/LAMDA-CL/Prism.
Authors: Noam Michael, Daniel BenShushan, Jacob Bien, Don A. Moore
Abstract: We investigate the calibration of large language models' (LLMs') confidence across diverse tasks. The results of our preregistered study show that the current crop of LLMs are, like people, too sure they are right: confidence exceeds accuracy, on average. Importantly, however, this tendency is moderated by a powerful hard-easy effect, wherein overconfidence is greatest on difficult tests; by contrast, easy tests actually show substantial underconfidence. We develop LifeEval, a test for evaluating model calibration across levels of difficulty.
Authors: Sai Sathvik Vadari
Abstract: The AI inference industry keeps models loaded in GPU memory around the clock to avoid cold-start latency, implicitly treating idle power as a fixed cost of readiness. Yet the structure of this cost has never been empirically decomposed - and never across GPU architectures. We present the first cross-architecture measurement of idle GPU power as a function of VRAM allocation, combining 18 days of production telemetry (335,267 samples, 14 H100 GPUs) with controlled dose-response experiments on three GPU architectures spanning three memory technologies: NVIDIA H100 (HBM3, 80 GB), A100 (HBM2e, 80 GB), and L40S (GDDR6, 48 GB). We observe that idle power is piecewise constant on all three architectures: the CUDA context forces a discrete DVFS transition consuming +26-66 W over bare idle (26-50 W on HBM architectures, 66 W on GDDR6), while the marginal VRAM effect is bounded below measurement relevance ($|\beta| < 0.02$ W/GB) on every device tested. The CUDA context accounts for >98% of the parking tax regardless of memory technology. We validate this finding with a real HuggingFace model (Qwen2.5-7B) on all three architectures, confirming <0.5 W difference from empty tensors on every device, and capture cold-start power profiles during model loading. We derive a cold-start breakeven model showing energy-optimal behavior depends on request arrival rate and loading latency - not model size - with breakeven intervals of 1-5 minutes. Our results identify a constraint consistent across all tested architectures: idle-with-context power is determined by DVFS state, not memory occupancy.
Authors: Andrea Ferrario
Abstract: The EU Artificial Intelligence Act (AIA) establishes a lifecycle governance regime for high-risk AI systems built around ex-ante conformity assessment, post-market monitoring, and re-assessment upon "substantial modification." These obligations presuppose AI identity judgments: regulators and providers must decide when an updated system remains the same system over time. In this work, we show how this logic is clarified by the function+ framework of artifact identity, which individuates AI systems by their intended function together with context-sensitive criteria of appropriate functioning, captured as "AI trustworthiness." We further argue that the AIA does not provide an internal, auditable criterion for synchronic identity--when two AI systems at a given time should count as the same for regulatory purposes--and instead largely defers such sameness determinations to sectoral or harmonization instruments. function+ supplies a synchronic identity test anchored in intended function and trustworthiness profiles and levels, making synchronic identity decisions inspectable in governance settings such as procurement, liability, and market surveillance. Our contribution is a conceptual and auditing lens: we provide a correspondence map between AIA lifecycle obligations and function+ identity components, and we make the synchronic case operationally legible via a minimal decision flow for audit and dispute contexts. We conclude with two implementation-facing recommendations: (1) more precise, testable reporting of intended purpose, and (2) standardized, auditable trustworthiness reporting that supports comparability over time and across deployments.
Authors: Zhiyuan Zhai, Xinkai You, Wenjing Yan, Xin Wang
Abstract: Reasoning-capable large language models solve hard problems by emitting long chains of thought, paying heavily in latency, GPU time, and energy. Casual inspection of their traces reveals extensive reformulation, verification, and circular self-reflection, yet how much of this deliberation is actually necessary has never been measured at scale or explained from first principles. This paper closes both gaps. We formalise reasoning redundancy directly in terms of the reasoning model itself: the redundancy of a correct trace is the largest fraction of its trailing segmented steps that can be truncated while $\pi$, forced to terminate thinking and emit a final answer, still produces the correct answer. A large-scale quantification across four frontier reasoning models and two mathematical benchmarks shows that step-level redundancy is consistently high -- between 61% and 93% across the 8 (model, benchmark) conditions we study, with the median critical prefix equal to a single segmented step in six of the eight conditions -- that the finding is robust to the choice of judge family, and that although $\rho$ decreases with problem difficulty on MATH-500, all four models remain substantially redundant ($\rho \in [46\%, 85\%]$) even on the hardest Level-5 problems. We then prove that this redundancy is a structural consequence of length-agnostic outcome rewards, not a model-specific artefact: under any such reward, no finite expected stopping time is optimal. The result holds regardless of RL algorithm, base model, data distribution, or whether the policy is obtained via RL or distillation; over-thinking is therefore not a bug to be patched in individual models but a structural property of how current reasoning models are trained. Code: https://github.com/zhiyuanZhai20/how-much-thinking-is-enough
URLs: https://github.com/zhiyuanZhai20/how-much-thinking-is-enough
Authors: Saad Mankarious
Abstract: We introduce \emph{Quantum Frog}, a two-player cooperative game built on a novel \emph{quantized-time} mechanic in which the environment advances only when a player acts. Inspired by the classic arcade game Frogger, Quantum Frog requires two frogs to cross an 8$\times$8 grid of traffic and reach the far side together. We use reinforcement learning (RL) as an analytical lens to answer four design questions: (1) how does game difficulty scale with traffic density, (2) what is the optimal single-agent policy and why, (3) how large is the cooperation gap between independent and cooperative two-agent play, and (4) what joint strategy emerges when agents are incentivised to cooperate? We train agents through five escalating stages, Tabular Q-Learning, Deep Q-Network (\DQN), Independent \DQN~(\IDQN), and Multi-Agent Proximal Policy Optimisation (\MAPPO\ with a centralised critic), evaluating each against traffic densities of one to six cars. Our key findings are: (i) the quantized-time mechanic makes a \emph{rush strategy} (moving directly upward at every step) universally optimal, as time exposure to traffic is minimised; (ii) adding an uncoordinated second player is harder than sextupling the traffic for a single expert player; (iii) cooperative training recovers +32--34 percentage points of joint success rate relative to independent agents and reduces episode length from $\sim$90 to $\sim$6 steps; and (iv) the emergent cooperative strategy is synchronised rushing, not complex positional coordination, illustrating that shared incentives alone suffice to align agents in time-critical cooperative tasks. These findings provide concrete, empirically grounded guidance for the commercial design of Quantum Frog and offer broader insights into the role of environment mechanics in shaping multi-agent learning dynamics.
Authors: Boyu Xiao, Xiuqi Tian, Xuwen Song, Haochun Wang, Guanchun Song, Sendong Zhao, Bing Qin
Abstract: Despite strong medical benchmark accuracy, LLMs can exhibit severe multi-turn sycophancy in clinical dialogue, abandoning initial correct diagnosis under escalating pressure. We propose \textbf{\textsc{Med-Stress}}, a targeted stress test framework that evaluates belief stability under escalating pressure. Across nine frontier large language models (LLMs), we find a clear dissociation between medical knowledge and robustness: high initial diagnostic capability does not imply high belief stability, yielding large knowledge-robustness gaps for several LLMs. To mitigate this failure mode, we propose a lightweight inference-time defense, \textbf{\texttt{RBED}} (\textbf{R}ole-\textbf{B}ased \textbf{E}pistemic \textbf{D}efense), and \textbf{\texttt{R-FT}} (\textbf{R}esilience-oriented \textbf{F}ine-\textbf{T}uning), a training-time approach that internalizes evidence-based resistance to pressure. Experiments show that \textbf{\texttt{R-FT}} nearly eliminates belief change and substantially improves robustness.
Authors: Takaaki Fujita, Florentin Smarandache
Abstract: This book presents a comprehensive and systematic survey of graph theory under uncertainty, with particular emphasis on the unifying role of the uncertain graph framework. It reviews fundamental concepts, structural properties, graph classes, and graph parameters within fuzzy, neutrosophic, and related models, while also introducing a wide range of extensions such as uncertain digraphs, hypergraphs, superhypergraphs, and dynamic graphs. In addition to theoretical developments, the book explores practical applications, including uncertain molecular graphs, decision-making systems, graph neural networks, knowledge graphs, and cognitive maps. By organizing diverse uncertainty-aware graph models within a common perspective, this work provides a coherent framework for understanding their relationships, capabilities, and applications in complex systems.
Authors: Bruno F. Louren\c{c}o, Hesham Morgan, Ana Ozaki, Aleksandar Pavlovi\'c, Emanuel Sallinger
Abstract: Knowledge base (KB) embeddings aim at combining the capability of classical knowledge graph embeddings to generalize the information present in facts, the ABox, with conceptual knowledge represented in an ontology language, the TBox. Several authors have recently explored the idea of mapping concepts to convex regions in a vector space. This is useful to represent hierarchies, typically present in TBoxes, since more general concepts can be mapped to larger regions, containing those regions associated with more specific concepts. However, the power of convexity is rarely leveraged during the actual learning tasks. Here, we introduce BoxLitE, a KB embedding model for DL-Lite$^{\mathcal{H}}$ that allows for convex optimization. We show that for any satisfiable DL-Lite$^{\mathcal{H}}$ KB, there is a BoxLitE embedding that is a weakly faithful model. As a proof of concept, we show how to formulate the KB embedding task as a convex optimization problem and how to obtain embeddings with such desirable faithfulness properties.
Authors: Long Zhang, Zi-bo Qin, Wei-neng Chen
Abstract: Large language models (LLMs) increasingly fuse heterogeneous inputs in ubiquitous systems. Yet, how LLMs implicitly allocate authority when sensor measurements and user claims conflict remains unexamined, raising critical reliability concerns for deployments where physical sensing must retain priority. Unlike explicit traditional fusion, LLMs bury authority allocation within learned representations. We discover this allocation is severely format-dependent: numerical sensor data fails to integrate into answer-relevant model directions, allowing natural-language claims to dominate the final decision, a phenomenon we term \textbf{Authority Inversion}.To diagnose and mitigate this, we develop a geometric framework of context integration, introduce two computable audit metrics, specifically the Context Integration Ratio (CIR) and Authority Alignment Index (AAI), and propose Geometric Authority Calibration (GAC), an inference-time layer-level intervention to suppress misplaced user authority. Evaluating four models (4B to 35B parameters, three architectures) across four datasets totaling 576 conflict instances reveals extreme inversion: on numerical tasks, models exhibit near-zero sensor trust (AAI = -0.805, Cohen's d = -2.14), unaffected by model capacity. Validating our geometric framework, theory-guided causal injection flips 80.2\% of incorrect decisions (vs. <0.4\% for random controls). Practically, GAC improves HAR accuracy from 0 -- 1.6\% to 21.9 -- 27.5\%, outperforming prompting baselines. Ultimately, authority allocation in LLM-mediated systems must be explicitly audited and application-specifically configured rather than left implicit.
Authors: Xirui Liu, Sihang Zhou, Yanning Hou, Rong Zhou, Haoyuan Chen, Maolin He, Siwei Wang, Hao Chen, Jian Huang
Abstract: Web agents require both high-level reasoning (for task decomposition) and low-level interactions (for page elements manipulation) to conduct different tasks. However, these knowledge types differ fundamentally: reasoning knowledge (e.g., booking a flight requires first searching for routes) is abstract and transferable across websites, while interaction knowledge (e.g., clicking the Search button at a specific coordinate on Site A) depends heavily on page-specific contexts. Existing methods store experiences uniformly. This creates a dilemma: abstract representations lose executability on concrete pages, while concrete representations fail to generalize across domains. This entanglement limits capability accumulation: on new websites, agents either fail to recognize reusable task logic due to surface-level differences or attempt infeasible actions from outdated page structures. To disentangle them, we propose DRIVE, a dual-level skill modeling framework separating historical experience into natural language reasoning skills, which capture transferable task logic, and programmatic interaction skills, grounding abstract actions to executable operations. A scene-aware coordination mechanism adaptively retrieves and invokes these dual-level skills based on task semantics. DRIVE also uses skill-level reflection to identify hierarchy-specific failure modes, enabling targeted skill library expansion and refinement. Experiments across five WebArena domains show DRIVE attains an average task success rate of 52.8%, exceeding the skill-free baseline by 7.3 percentage points. Further ablations show reasoning and interaction skills provide distinct, complementary benefits, supporting separation of transferable task logic from executable page-level operations.
Authors: Yong Zhang, Xinxiao Wu, Yunde Jia, Che Sun
Abstract: Accurate stock price forecasting has consistently remained a pivotal yet challenging FinTech task that underpins quantitative trading and investment decision making. Recent efforts have been dedicated to modeling various complex relationships among stocks in the stock market toward more reliable stock price forecasting.These methods depend heavily on strong static prior assumptions by modeling either temporal dependencies within individual stocks or spatial dependencies across different stocks based on predefined structures, while the complex market dynamics that drive stock price movements remain unexplored. To alleviate this issue, we propose a novel game-theoretic modeling method that captures heterogeneous investor interactions for stock price forecasting. The core idea is to embed game-theoretic mechanisms into the heterogeneous graph structure to finely model the dynamic strategic interactions among heterogeneous investors with respect to target stocks. Additionally, temporal positional encoding is adopted to reflect the differentiated influences of each game event at different time steps within the time window on future stock price movements. Leveraging heterogeneous graph networks, we proxy the intricate dynamics of the stock market through investor games and enable real-time information propagation and node updates among all nodes. Extensive experiments conducted on two real-world benchmark dataset demonstrate that our method effectively outperforms state-of-the-art stock price forecasting methods.
Authors: Ruizhe Zhou, Xiaoyang Liu, Gaoyuan Du, Yi Zheng, Shouxi Ren, Deepayan Chakrabarti, Dengdu Jiang
Abstract: Deploying machine learning in regulated financial environments -- credit risk, fraud detection, and anti-money laundering -- exposes critical vulnerabilities in algorithmic reproducibility. While early financial ML addressed statistical challenges such as backtest overfitting, deep neural networks and Generative AI have introduced mechanical nondeterminism rooted in hardware and architecture. This survey provides a systems perspective on reproducibility failures across three modalities now dominant in financial AI: tabular models (post-hoc explanation variance), graph networks (stochastic sampling and temporal asynchrony), and LLM-based agentic workflows (batch-dependent divergence and trajectory drift). We supplement the literature analysis with first-party experiments on public financial datasets -- quantifying explanation rank instability in credit scoring, prediction flip rates in GNN-based fraud detection, and tensor-parallel-induced output divergence in LLM entity extraction. We propose a layered evaluation framework linking modality-specific metrics (RBO, D_cos, TDI, PSD) to audit readiness, and empirically validate the complementarity of logit-level and semantic-level determinism measures.
Authors: Prashanti Nilayam, Sankalp Nayak
Abstract: Compound AI systems that chain multiple LLM calls into directed computation graphs are now the dominant architecture for production AI. Although these architectures leverage heterogeneous nodes with mixed-mode outputs, no existing framework quantifies how perturbations propagate through such pipelines, where nodes are stochastic and execution paths can diverge structurally. We introduce QUIVER, a formal framework for measuring perturbation propagation in graph-structured LLM pipelines. The framework defines: (1) a sensitivity matrix with type-dispatched distance metrics that classifies edges as amplifiers, absorbers, or threshold-sensitive, complemented by occurrence-lift; (2) trajectory divergence decomposing variation into value drift, structural path divergence, and iteration count divergence; (3) bifurcation thresholds identifying the smallest perturbation that causes structural execution path changes; and (4) distribution faithfulness, quantifying when per node evaluation datasets diverge from production distributions. We validate on two production enterprise pipelines and a public DSPy multihop QA pipeline, three structurally distinct architectures. Across 8,200+ instrumented traces (32,000+ pair comparisons), we demonstrate that QUIVER reveals distinct sensitivity profiles across architectures, distinguishes mechanistically different cascade patterns producing identical divergence rates, predicts nodes prone to trajectory bifurcation from observational data alone, and localizes stale evaluation artifacts to specific node-field categories that aggregate metrics cannot surface.
Authors: Junhao Wei, Yanxiao Li, Yifu Zhao, Zhenhong Peng, Baili Lu, Dexing Yao, Haochen Li, Qinbin He, Sio-Kei Im, Yapeng Wang, Xu Yang
Abstract: Learning-assisted hyper-heuristics can select among dispatching rules while preserving the feasibility and interpretability of constructive Job Shop Scheduling Problem (JSSP) heuristics. Their main computational cost lies in label generation rather than model fitting, since each supervised label usually requires rolling out candidate rules from a partial schedule. We study this label-cost problem together with a reliability problem: a learned selector should not switch away from a strong default rule unless the predicted gain is credible. The proposed selector uses regret-normalized rollout labels, a contextual KNN uncertainty estimate, and a gate that acts only when the predicted improvement exceeds an uncertainty-adjusted margin. We also vary rollout depth and breadth to measure the cost-quality trade-off. On synthetic JSSP instances, the gated selector achieves the lowest mean RPD among learned selectors, remains close to the best fixed dispatching rule, and reduces Random-HH mean RPD by more than an order of magnitude.
Authors: Mingqing Wang, Zhiwei Nie, Athanasios V. Vasilakos, Yonghong He, Zhixiang Ren
Abstract: Proteins encode diverse functions within complex three-dimensional structures, yet most deep learning representations remain highly entangled, obscuring the biophysical signals that underlie function. Here we introduce ProtDiS, a knowledge-guided framework that decomposes pretrained protein micro-environment embeddings into biologically grounded and task-relevant dimensions. Inspired by the information bottleneck principle, ProtDiS learns representations that balance informativeness and compression, yielding structural features that are more specific, independent, and information-efficient, and achieving consistent improvements across twelve downstream tasks, with the largest gains under structure-based splits. Protein- and residue-level analyses further show that ProtDiS differentiates proteins with similar folds but divergent functions and captures fine-grained biophysical signals critical. These findings suggest that knowledge-guided decomposition provides a general and interpretable approach for structuring latent spaces in protein structural modeling. The source code and implementation details are publicly available at https://github.com/AI-HPC-Research-Team/ProtDiS.
Authors: Roman Klypa, Alberto Bietti, Sergei Grudinin
Abstract: The design of RNA molecules that interact with specific proteins is a critical challenge in experimental and computational biology. Despite recent progress in natural language modeling and deep learning-based protein design, there remains significant room to improve the frequency of successful interactions and the authenticity of generated sequences for functional applications. In this work, we frame conditional RNA sequence generation as a multi-stage alignment problem, introducing Moirain: a suite of models optimized via multimodal supervised fine-tuning (SFT) and Direct Preference Optimization (DPO). Our approach begins with large-scale pretraining on diverse RNA corpora to capture the fundamental grammars of sequence plausibility. To achieve target-specific generation, we employ a multimodal SFT architecture that conditions RNA synthesis on protein structural and sequential features. Finally, we leverage DPO to refine the model using synthetic interaction data: taking advantage of DPO's unique ability to navigate non-aligned preference spaces, we improve functional fitness without collapsing the learned natural distribution. Extensive evaluation of the Moirain series (Moirain-Base, -Multi, and -DPO) demonstrates that our framework consistently produces novel, diverse, and biologically plausible RNA sequences with superior binding affinities compared to existing baselines.
Authors: Marie Soehl Coolsaet, Roberto Gallardo, Zhen Gao
Abstract: This research aims to leverage machine learning to improve stock price prediction and support informed investment decisions related to buying, selling, and holding assets. Specifically, this work investigates transformer-based models for stock prediction and examines the impact of pre-training strategies on forecasting performance. A transformer model was first pre-trained on the Toronto Stock Exchange Index (TSX) to predict intra-day return direction and subsequently fine-tuned on individual TSX stocks. The model was further adapted for return-value regression tasks. Performance was benchmarked against Long Short-Term Memory (LSTM) and XGBoost models. Pre-training on the market index improved the binary cross-entropy loss for individual stock prediction from 0.69 to 0.64. The fine-tuned transformer regression model achieved lower mean squared error than the benchmark models, although the ensemble and XGBoost models achieved higher average daily returns. In addition, a practical application was developed to deliver real-time stock predictions for trading support. Future work will focus on increasing transformer model capacity, incorporating broader global technical indicators, and filtering out stocks with low predictability.
Authors: Zenghui Zhou, Man Li, Xiaoke Fang, Xinyi Zhou, Weibin Li, Zheng Zheng
Abstract: Large Language Models (LLMs) achieve strong performance on logical reasoning benchmarks, yet their reliability remains uncertain. Existing evaluations rely on static benchmarks, which fail to assess robustness under logically equivalent transformations and often overestimate reasoning capability. We propose LGMT (Logic-Grounded Metamorphic Testing), an oracle-free framework that leverages first-order logic (FOL) to evaluate LLM reasoning. By deriving metamorphic relations from formal logical equivalences, LGMT constructs semantically invariant test cases and detects reasoning defects through cross-case consistency checking. Experiments on six state-of-the-art LLMs show that LGMT exposes substantial hidden defects missed by traditional reference-based evaluations. We further find that models are particularly sensitive to symbol-level and conclusion-level variations, and that advanced prompting such as Few-shot CoT only partially mitigates these issues. These results suggest that LLM evaluation should move beyond isolated correctness toward robustness under logical invariance. LGMT provides a principled and scalable approach for diagnosing reasoning failures.
Authors: Sani Biswas, Preetam Singh, Amit Kumar Gangwar
Abstract: This work presents a physics-guided machine-learning framework for carbon monoxide concentration inference from experimentally measured resistance transients of a mixed-phase SnO-SnO$_2$ material gas sensor exhibiting temperature-dependent p-n switching behavior. Cycle-level transient responses are represented through physically interpretable descriptors and complemented by compact fast Fourier transform (FFT) and discrete wavelet transform (DWT)-based summaries. Using leakage-aware grouped cross-validation, we study both multi-class concentration classification and continuous concentration regression for the p-type and n-type sensing regimes separately. Across both regimes, fused features provide the strongest overall performance, while the physics-guided descriptor block remains highly competitive, indicating that the dominant concentration information is already encoded in physically meaningful transient dynamics. The p-type branch shows the best concentration-class discrimination, with the fused Random Forest classifier reaching approximately $96.5\%$ accuracy, whereas the n-type branch yields the best quantitative concentration estimation, with the fused Random Forest regressor achieving an MAE$\approx 1.48$ ppm and an R$^2$ $\approx 0.992$. These results reveal a clear dual-regime behavior: p-type sensing is particularly favorable for classification, whereas n-type sensing is more favorable for high-fidelity regression. More broadly, the study demonstrates that leakage-aware, cycle-level, physics-guided machine learning can extend conventional gas-sensing analysis beyond single-response metrics while preserving physical interpretability
Authors: Xianke Qiang, Zheng Chang, Li Wang, Ying-Chang Liang
Abstract: Adapting large AI models (LAMs) to personalized edge data is challenging because wireless devices have limited memory, computation, and uplink capacity. Federated fine-tuning preserves data privacy but still requires each device to host the full model, while split learning reduces device memory at the cost of heavy activation transmission. This paper proposes TSFLora, a token-compressed split fine-tuning framework for communication-efficient LAM adaptation at the edge. TSFLora combines attention-guided token selection, token merging, low-bit activation quantization, and LoRA-based adaptation within a split federated training pipeline. The key idea is to compress the intermediate token sequence before transmission so that the system reduces both uplink traffic and server-side processing without changing the frozen backbone. Experiments on ViT models over CIFAR-10, CIFAR-100, and TinyImageNet show that TSFLora achieves up to \textbf{6.8$\times$} communication reduction and \textbf{41\%} memory saving while maintaining competitive accuracy.
Authors: Aaron Sonabend-W, Sean Campbell, John Platt, Christopher Van Arsdale, Anna M. Michalak
Abstract: There is a growing urgency to track greenhouse gasses with the resolution, precision and accuracy needed to support independent verification of $CO_2$ fluxes at local to global scales. The current generation of space-based sensors, however, only provides sparse observations in space and time. This challenge has fueled interest in the potential use of data from existing missions originally developed for other applications to infer global greenhouse gas variability. The Advanced Baseline Imager (ABI) onboard the Geostationary Operational Environmental Satellite (GOES-East), operational since 2017, provides full coverage of much of the western hemisphere at 10-minute intervals from geostationary orbit across 16 spectral channels at an approximately 2 km$^2$ spatial resolution. Here, we leverage this high spatial coverage and temporal revisit to develop Deep$XCO_2$, a single-pixel, physics-guided neural network to estimate dry-air column $CO_2$ mole fraction ($XCO_2$). Deep$XCO_2$ employs a time series of GOES-East's 16 spectral bands, ECMWF ERA5 lower tropospheric meteorology, MODIS surface reflectance, solar and satellite viewing geometry, and day of year. The network was trained on collocated GOES-East and OCO-2/OCO-3 observations. Deep$XCO_2$ is able to capture realistic $XCO_2$ variability when compared against a held-out year of OCO-2 and OCO-3 observations, and against observations from the TCCON network. We also present case studies illustrating the use of Deep$XCO_2$ to observe $XCO_2$ enhancements over urban areas and drawdown over agricultural regions. Overall, while the precision of GOES-East derived $XCO_2$ can never rival that of dedicated instruments, the unprecedented combination of contiguous geographic coverage, 10-minute temporal frequency, and multi-year record offers the potential to observe aspects of atmospheric $CO_2$ variability currently unseen from space.
Authors: Siqiao Huang, Partha Kaushik, Michael Chen, Hengkai Pan, Omar Chehab, Fernando Moreno-Pino, Max Simchowitz
Abstract: World models have become a central paradigm for learning predictive simulators that support generation, planning, and decision-making. Yet, despite rapid progress in industry-scale interactive video generation, the broader research community still lacks compact, reproducible, and easily extensible implementations for studying the design choices underlying modern world models. We introduce Nano World Models, a minimalist codebase for future video prediction centered around diffusion forcing. Nano World Models provides a unified interface for generative objectives, model scales, action-conditioning mechanisms, latent observation spaces, datasets, evaluation protocols, and long-horizon rollout procedures. This design enables controlled studies of world-modeling components that are often entangled across separate implementations. Through experiments across simple control environments, game simulation, and real-robot data, we examine how prediction parameterization, architecture scale, action injection, sampling budget, and domain complexity affect video prediction quality and autoregressive rollout behavior. By releasing code, configurations, evaluation scripts, and pretrained checkpoints, Nano World Models aims to provide a compact yet extensible experimental substrate for open, reproducible, and scientific world-model research.
Authors: Chenghao Li, Fusheng Hao, Xikai Zhang, Likang Xiao, Yanwei Ren, Fuxiang Wu, Quan Chen, Liu Liu
Abstract: Multimodal large language models via reinforcement learning (RL) have demonstrated remarkable capabilities in complex visual reasoning tasks, yet they remain limited in long-horizon multimodal scenarios, often suffering from visual hallucination and logical error. Current methods typically pre-encode high-dimensional visual scenes into discrete textual proxies to facilitate downstream reasoning. As the reasoning chain unfolds, however, the inherent information asymmetry between text and visual scenes tends to erode visual grounding, resulting in misguided reasoning and erroneous outputs. To address this issue, we introduce IVR-R1 (Iterative Visual-grounded Reasoning), a novel RL training framework that facilitates dynamic visual re-alignment that actively rectifies reasoning trajectories to guide policy optimization. Specifically, by leveraging a reward-driven screening mechanism to identify flawed rollouts, IVR-R1 executes a fine-grained, step-level error attribution within the multimodal context. By iteratively cross-referencing intermediate reasoning states against pristine visual priors, a Re-Reasoning Loop enables automated trajectory rectification, effectively synthesizing expert-level demonstrations that serve as high-fidelity reasoning templates for the policy model. Our experiments across diverse multimodal benchmarks demonstrate that IVR-R1 consistently outperforms existing reinforcement learning methods, establishing a superior paradigm for maintaining logical and visual consistency in complex multimodal reasoning.
Authors: Junyi Wu, Weijian Luo, Haoyang Zheng, Ruizhe Zhang, Guang Lin
Abstract: Recent advances in one-step text-to-image generation have enabled real-time synthesis with remarkable efficiency and quality. Previous reinforcement learning methods for one-step generators combine image-space reward optimization with diffusion noisy-space distribution matching. This paradigm brings challenges due to a mismatch between terminal reward optimization and the underlying generative dynamics. As a result, optimization tends to exploit stochastic degrees of freedom, often improving reward at the expense of image fidelity. To address this issue, we propose Diff-Instruct with Diffused Reward (DIDR), a data-free trajectory-level alignment framework derived from Integral KL minimization. DIDR propagates the RLHF-optimal reward-tilted clean-image distribution across all noise levels along the diffusion trajectory. We show that this objective admits the same minimizer as clean-image RLHF, while naturally inducing the Diffused Reward Score (DRS), which acts as a reward-driven correction to the reference score function. To make this practical, we further introduce the Diffused Reward Proxy (DRP), an efficient estimator of DRS based on differentiable short-step denoising. Extensive experiments demonstrate that DIDR consistently Pareto-dominates existing one-step SDXL baselines. Moreover, when transferred to a 6B DiT backbone (Z-Image), DIDR surpasses its 50-step teacher in preference alignment while requiring only a single generation step.
Authors: Zhengqi Sun, Yiwen Sun, Boxuan Liu, Tailai Chen, Tianxu Guo, Jiabin Liu
Abstract: Large language models (LLMs) are promising for autonomous driving, but semantics-only decision policies can yield physically unsafe behavior in dynamic traffic. Existing methods either perform online language reasoning without explicit dynamics verification or use world models mainly in offline pipelines, leaving a gap between semantic intent and physical feasibility at decision time. We propose Reason--Imagine--Act (RIA), a closed-loop framework that couples an LLM reasoner with an action-conditioned world model for online safety verification. At each step, the LLM proposes an action template and candidate sub-actions, the world model performs short-horizon rollouts, and a safety scorer selects the safest executable action with feedback to the next reasoning step. Under a unified CARLA point-goal protocol (1000 episodes), RIA achieves 80.05% route completion, 51.10% arrival rate, and 0.20% collision rate. Under the same closed-loop interface, RIA consistently outperforms training-free baselines, including CARLA TM and MADA, on core closed-loop metrics. For reproducibility, code is available at https://github.com/pku-smart-city/source_code/tree/main/RIA.
URLs: https://github.com/pku-smart-city/source_code/tree/main/RIA.
Authors: Daniel Barley, Jonathan Leis, Benjamin Klenk, Holger Fr\"oning
Abstract: Pipeline parallelism is a key technique for distributed training of large language models because it reduces per-device parameter and activation memory. However, comparing pipeline schedules is difficult: analytical models expose structural quantities such as bubble ratios, while end-to-end hardware experiments are costly and system-specific. In this work, we introduce a tabular schedule abstraction and a unified multi-abstraction methodology that connects formula-based reasoning, idealized schedule tables, and communication-aware execution simulation. Using this framework, we compare GPipe, 1F1B, Chimera, and Hanayo in its restricted regime across multiple modeled system configurations. Our results show that schedule rankings are not abstraction-invariant: communication can negate structural advantages suggested by bubble analysis alone. Under the assumptions considered here, GPipe and 1F1B are runtime-equivalent, but 1F1B achieves a lower activation-memory peak. Chimera is advantageous mainly at low microbatch counts and in communication-favorable regimes, while Hanayo is effective in its intended restricted operating point but remains sensitive to network bottlenecks. We further study an asymmetric Chimera-style placement, which does not reduce the global peak memory requirement but reveals limited runtime gains in shallow pipelines. Overall, pipeline schedule quality is meaningful only in the context of the modeled execution environment.
Authors: Zachary James, Joseph Guinness, Arthur DeGaetano
Abstract: Convective available potential energy (CAPE) is an important variable for forecasting severe weather and understanding deep convection and precipitation. The latest versions of the Global Forecast System (GFS) and related Global Ensemble Forecast System (GEFS) have exhibited a bias towards underestimating CAPE values during the summertime. We train an artificial intelligence (AI) diffusion model to improve the skill and uncertainty quantification of afternoon 6-hour lead time ensemble forecasts over the United States. Our model takes a GFS CAPE forecast as input and outputs an ensemble that significantly outperforms both GFS and GEFS 6-hour forecasts on root mean square error, continuous ranked probability score, and Brier score. We propose a two-stage training pipeline to leverage both a larger historical GFS forecast dataset and a smaller historical GEFS dataset, despite the two using initialization and parameterization schemes that vary over time. We also show that classifier-free guidance can be used to control the skill and spread of the forecasts. We then demonstrate the versatility of our framework by adding aerosol optical depths (AODs) of black carbon, organic carbon, dust, sea salt, and sulfates as additional input features. Aerosols can invigorate or suppress convection depending on atmospheric conditions. Our AI models effectively incorporate aerosols to produce improved CAPE forecasts. We interpret the model components by using permutation feature importance to rank the influence of the different AODs and find that black carbon, organic carbon, and sulfate aerosols have a greater impact on the model's CAPE predictions than sea salt and dust aerosols.
Authors: Zhong Wang, Zukang Xu, Xing Hu, Dawei Yang
Abstract: Vision-Language Models (VLMs) achieve outstanding performance, yet their huge model size severely hinders deployment on edge devices with limited resources. As an efficient model compression technique, vector quantization (VQ) excels in ultra-low-bit representation, which maps model weights to discrete codewords in a compact codebook to cut memory consumption and transmission overhead while preserving model capability. Direct VQ application to VLMs still has two core limitations. First, cross-modality weight distribution differences brought by visual and textual inputs cannot be well fitted by a single unified codebook. Second, current second-order error compensation ignores first-order gradient information, causing weight deviation from pre-trained optimal states, gradient drift and biased compensation results. This work proposes MGVQ, a novel vector quantization framework integrating multi-dimensional sensitivity perception and gradient-Hessian fusion. It consists of two core modules: sensitivity-guided structured mixed-precision quantization dynamically assigns different bit-widths according to channel sensitivity via combined global and local sensitivity analysis for refined resource allocation; gradient-aware second-order error compensation embeds first-order gradients into error correction, and adopts Kronecker and Block-LDL decomposition to ensure low computational cost. Extensive experiments on mainstream VLMs including LLaVA-onevision, InternVL2 and Qwen2-VL verify the effectiveness of MGVQ. In 2-bit quantization settings, MGVQ surpasses existing advanced post-training quantization methods significantly, achieving a maximum accuracy improvement of 4.9 points (71.4% vs 67.0% on InternVL2-26B). The proposed method realizes stable and efficient ultra-low-bit VLM quantization, greatly promoting the practical deployment of multimodal large models in resource-limited environments.
Authors: Youwei Pang, Changsheng Gao, Dong Liu, Huchuan Lu, Weisi Lin
Abstract: Large models have delivered remarkable performance across a wide range of perception and generation tasks, yet practical deployment is increasingly constrained by computational and memory budgets, as well as privacy requirements. Split execution alleviates these constraints by partitioning computation across devices, but it inevitably introduces intensive transmission and storage of intermediate features. Unlike conventional feature coding for CNNs that typically targets homogeneous spatial activation maps, modern large models generate heterogeneous features with varying statistical distributions and compression tolerances, e.g., multi-level/multi-modal representations and autoregressive context caches. These characteristics necessitate treating large model feature coding (LaMoFC) as a fundamental system component and call for a systematic evaluation framework. In this paper, we present a comprehensive benchmark and evaluation framework for LaMoFC. We first build the feature dataset LaMoFCBench, covering diverse task requirements across 4 categories and 16 scenarios while integrating widelyadopted architectures and various split-computing settings. We then specify representative split points according to practical application scenarios to extract intermediate features, establishing a unified pipeline for fair and reproducible comparisons. Finally, we benchmark mainstream universal feature codecs, exposing the profound misalignment between existing coding paradigms and the heterogeneous nature of large model features. These findings reveal that LaMoFC demands a fundamental departure from existing paradigms, and LaMoFCBench provides the shared empirical foundation to drive this transition. The data and code will be available at https://github.com/lartpang/LaMoFCBench.
Authors: Pablo Rodriguez Manzi
Abstract: We study the reconstruction of implied volatility surfaces from sparse and noisy option quotes using deep learning models under no-arbitrage constraints. We compare multiple neural architectures, including multilayer perceptrons, convolutional networks, U-Nets, variational autoencoders, and Transformer-based models against classical SVI parameterizations on option market data. Results show that Transformer and U-Net architectures achieve strong reconstruction accuracy, particularly under sparse observation regimes, while soft arbitrage penalties significantly reduce arbitrage violations with moderate impact on reconstruction error. We further analyze the trade-off between accuracy and arbitrage consistency across architectures and regularization strengths.
Authors: Zongyuan Ge, Chenwaner Zhang, Haoyang Li, Hantai Zhang, Wei Zhou, Wenxin Gu, Zhaoming Wang
Abstract: Forecasting aurora borealis visibility matters for space weather research and aurora tourism. Visibility at a site and night depends on two distinct factors: (1) whether aurora is physically occurring, driven by solar wind-magnetosphere coupling, and (2) whether observing conditions allow naked-eye detection, mainly cloud cover and lunar illumination. We present Aurora Hunter, a two-stage cascade that decouples these factors. Stage 1 predicts P(occurring) with XGBoost using 51 physics-driven features trained on joint Tromso+Kiruna data (about 16,600 hourly samples, 2015-2023) with labels from the Tromso AI all-sky image classifier. Stage 2 predicts P(clear observation given occurring) with logistic regression using 21 cloud-cover and lunar-illumination features trained only on aurora-occurring hours. The cascade P(visible)=P(occurring)*P(clear|occurring) reaches ROC-AUC 0.937 (Tromso test, 2019-2020) and 0.905 (independent Kiruna, 2024), improving a single-stage baseline by +0.087. Held-out Skibotn data (2022-2025) confirm cross-site generalization. SHAP identifies the Kp x nightside interaction, MLT position, and auroral oval distance as dominant predictors (39% combined). Prototype: https://aurora-hunter.onrender.com.
Authors: Maikel Yelandi Leyva-V\'azquez, Florentin Smarandache
Abstract: Large Language Models (LLMs) are predominantly governed by probabilistic frameworks in which the sum of outcome probabilities is constrained to unity. This architectural limitation, often imposed by Softmax layers, leads to a collapse of uncertainty that makes it difficult to differentiate between epistemic uncertainty, paradox, and vagueness. We present an empirical investigation of the application of Neutrosophic Logic, a framework that treats Truth (T), Indeterminacy (I), and Falsity (F) as three independent dimensions, to model epistemic states in LLMs. We conducted experiments on a family of four OpenAI GPT models across five linguistic phenomena: logical paradoxes, epistemic ignorance, vagueness, ethical contradictions, and future contingencies, under three prompting strategies: neutrosophic, probabilistic, and entropy-derived. Our findings reveal that the neutrosophic approach, by allowing T+I+F > 1, a state we term hyper-truth, provides a richer representation of a model's internal state. In 35% of evaluations, hyper-truth emerged spontaneously, predominantly under ethical contradiction and logical paradox. We demonstrate that this approach preserves truth values in fuzzy contexts and offers a robust method for identifying and quantifying internal model conflict. We conclude that the integration of neutrosophic evaluation layers is a critical step toward more transparent, reliable, and ethically aware AI systems.
Authors: Minghui Qiu, Jun Chen, Lin Chen, Weifeng Chen, Shuxin Zhong, Zhidan Liu, Yu Zhang, Kaishun Wu
Abstract: Most nowcasting systems, built on radar reflectivity, focus on current precipitation, ignoring the atmospheric precursors -- such as low-level convergence, turbulent eddies, and latent heating -- that offer a fleeting window to foresee storm birth. We introduce MeteoLogist, a physics-inspired radar intelligence framework that models the full life cycle of convection -- from its precursors to organized storm evolution. However, exploiting these precursors is non-trivial: they originate from multiple meteorological drivers -- thermodynamic, kinematic, and microphysical -- that evolve asynchronously (C1) and remain spatially fragmented (C2). To this end, MeteoLogist designs three tightly integrated components. The Physics-Tailored Encoders process radar echoes according to their intrinsic physical scales and semantics, forming thermodynamic, kinematic, and microphysical streams that capture distinct dynamical regimes. The Temporal-Phase Aligner addresses C1 by leveraging causal temporal attention to capture when and how different drivers interact and activate. The Cross-Field Spatial Aggregator addresses C2 through cross-regional fusion, aligning weak and scattered precursors across neighboring cells to expose upstream triggers and enforce spatial coherence. Evaluated on 3D-NEXRAD (2020--2022, US-wide), MeteoLogist boosts high-impact detection (CSI40) by +9.7% over strong baselines, and achieves a remarkable 37.67% gain during the storm-developing stage -- demonstrating true foresight in sensing storms before they appear. The code can be found in the supplementary material.
Authors: Lucia Celli
Abstract: Finite-width fully connected neural networks with Gaussian-initialized weights deviate from their infinite-width Gaussian limit, exhibiting non-vanishing higher-order cumulants. We approximate these deviations, for a neural network evaluated in a finite number of inputs, using multidimensional Edgeworth expansions of arbitrary order $4m-1$, with $m\in\mathbb{N}$. Assuming that the corresponding Gaussian limit has an invertible covariance matrix and that the activation function is polynomially bounded, we establish a bound of order $n^{-m}$ on the total variation distance between the law of the true network output and its Edgeworth approximation, with matching lower bounds. As an application, we quantify the error in Bayesian posterior distributions when the prior is replaced by its Edgeworth expansion. Our results are more general and also apply to sequences of conditionally Gaussian vectors converging to a Gaussian vector with invertible covariance.
Authors: Ihor Neporozhnii, Sjoerd Hoogland, Oleksandr Voznyy
Abstract: Machine learning interatomic potentials (MLIPs) require generating computationally expensive, large-scale training datasets to accurately simulate materials and molecules. Incorporating electronic structure information using multitask learning improves sample efficiency, however, training on full Hamiltonian matrices, which scale quadratically with the number of atoms, is intractable for large datasets. In this work, we show that multitask learning utilizing orbitally resolved semiempirical charges significantly improves sample efficiency and accuracy in MLIPs. To efficiently predict orbital charges, we implement a specialized equivariant model, reducing charge prediction error compared to an invariant baseline. By augmenting training with computationally inexpensive GFN1-xTB orbital charges, which scale linearly with the number of atoms, our model achieves a 46\% reduction in energy mean absolute error and requires five times less data to match the performance of energy-only models. Furthermore, our approach outperforms models trained on expensive density functional theory (DFT) atomic charges, capturing orbitally resolved electronic complexity and forcing the network to learn a physically accurate latent space that spontaneously clusters metals by shared chemical properties. Because orbital charges are only required during training, this approach preserves inference efficiency, providing a scalable recipe for developing accurate, data-efficient foundation models for complex chemical systems.
Authors: Ernest Fokou\'e
Abstract: Modern Artificial Intelligence achieves remarkable predictive power by optimizing statistical risk functionals over vast corpora. Yet a gap separates this from genuine intelligence: the inability to distinguish correlation from causation. This paper argues that causal inference (identifying mechanisms invariant under intervention) is AI's indispensable statistical conscience. Without causal grounding, AI systems are correlation machines: powerful in familiar domains, brittle under distribution shift, and biased in high-stakes settings. Three contributions develop this argument. First, a Statistical Necessity Theorem for Causal Generalization: any algorithm achieving out-of-distribution generalization must encode causal structure, formalizing the distinction between prediction P(Y|X) and intelligence P(Y|do(X)). Second, a unified framework connects Pearl's do-calculus, the Potential Outcomes framework, Double Machine Learning, and Invariant Risk Minimization as a family of Causal Statistical Estimators, each identifying interventional distributions under different assumptions. Third, three AI failure modes (hallucination in large language models, reward hacking in reinforcement learning from human feedback, and degradation under distribution shift) are manifestations of causal blindness, each admitting a principled statistical remedy. Trustworthy AI is, at its core, a problem of causal statistics. The statistical community is not merely equipped to solve it -- it is the only community with the foundational tools to do so rigorously.
Authors: Sadjad Alikhani, Akshay Malhotra, Shahab Hamidi-Rad, Ahmed Alkhateeb
Abstract: Machine learning deployments in real-world wireless communication tasks face significant generalization challenges due to location and environment-specific signal structure, high diversity in data across different deployments, and limited availability of real-world data. Current approaches for assessing data similarity between training and inference (deployment) distributions, as well as evaluating model transferability, suffer from high computational costs and inconsistent performance, leaving critical model deployment and model life cycle management decisions without a principled foundation. To address this, we introduce a dataset similarity framework built upon the feature space of a pretrained wireless foundation model. Our method, LWM-CDE (Contrastive learning of Dataset Embedding), fine-tunes the dataset embeddings of the foundation model using a combination of contrastive and geometry-shaping losses, creating a structured manifold where distance reliably indicates transferability. Extensive experiments on wireless benchmarks show that LWM-CDE achieves stronger correlation with empirical transfer performance than existing metrics while being more computationally efficient. The learned representation space supports more effective and data-efficient decision-making for tasks like source dataset selection, label-aware augmentation, and budgeted pretraining, demonstrating its broader utility across different wireless communication applications.
Authors: Taj Jones-McCormick
Abstract: We study the problem of identifying dynamically distinct basins of attraction in high dimensional time-homogeneous Markov processes using only trajectory sampling. This problem is fundamental in the analysis of metastable dynamical systems, where the process rapidly mixes within basins while transitions between basins occur rarely on the timescale of interest, or even when the state space is reducible. Existing approaches typically rely on spatial discretization or spectral analysis of estimated transition operators, which can become unreliable in high dimensional settings or when the underlying basin geometry is highly nonlinear. We propose a discriminative approach to basin identification based on marginal trajectory distribution comparison. We prove a simple risk separation result: if two initial states belong to the same basin, the Bayes-optimal classifier distinguishing their marginal trajectory distributions achieves risk close to 1/2, whereas if they lie in distinct basins, the optimal risk is close to zero. This observation reduces basin detection to a two-sample discrimination problem between marginal trajectory distributions. Motivated by this principle, we develop a neural algorithm that receives a set of candidate basin representatives and iteratively merges them by estimating classification risk with a neural network that approximates the Bayes classifier. We evaluate the method on various metastable systems. These include synthetic systems constructed by embedding low-dimensional dynamics into high dimensional noisy ambient spaces. In these settings, standard spectral and clustering-based methods often fail, while our approach accurately recovers the underlying basin structure. These results display a shortcoming of existing methods and highlight trajectory discrimination as an effective tool for identifying dynamical basins in high dimensional stochastic systems.
Authors: Qian-Rong Li, Hung Guei, I-Chen Wu, Ti-Rong Wu
Abstract: Imperfect-information games (IIGs) are challenging, as players must make decisions without fully observing the true game state. While AlphaZero has achieved remarkable success in perfect-information games, extending it to IIGs remains difficult. Existing search-based approaches, such as Perfect Information Monte Carlo (PIMC), suffer from strategy fusion, while Information Set Monte Carlo Tree Search (IS-MCTS) incurs high computational cost when combined with neural networks. In this paper, we propose Multi-State Aggregated PoLicy Evaluation (MAPLE), a tree search method that aggregates policy and value evaluations from multiple sampled world states within a single search tree, combining the advantages of PIMC and IS-MCTS while maintaining a controllable computational cost. We further incorporate a Siamese-based sampling strategy to select informative world states from the information set. Experiments on Phantom Go and Dark Hex show that MAPLE significantly outperforms the PIMC-based AlphaZero baseline, achieving Elo improvements of 291 and 136, respectively. These results demonstrate that MAPLE is an effective approach for AlphaZero-style learning in imperfect-information games.
Authors: Bowen Duan, Cong Guo, Chiyue Wei, Haoxuan Shan, Yuzhe Fu, Xinhua Chen, Yifan Xu, Ziyue Zhang, Changchun Zhou, Hai Li, Yiran Chen
Abstract: Large Language Models (LLMs) have achieved impressive performance across diverse domains but remain inefficient during the autoregressive decoding phase. Unlike the prefill stage, which employs compute-bound GEMM operations, decoding executes a sequence of small GEMV-like computations that are memory-bound and underutilize modern accelerators. Weight-only vector quantization (VQ) has emerged as an effective compression technique that clusters model weights into a shared codebook and replaces the original weight matrix with low-precision indices, enabling 2-bit-level weight compression. While this approach substantially reduces model size and memory bandwidth, it still suffers from two critical inefficiencies: the low utilization of GEMV computation and frequent memory conflicts during codebook lookups. This paper presents EVA, an efficient vector-quantization-based architecture that addresses both computational and memory bottlenecks in LLM decoding. EVA builds on a simple yet effective insight that combines input-codebook computation with conflict-free memory access. Instead of reconstructing quantized weights from indices, EVA directly performs dot products between input vectors and the weight codebook, transforming LLM decoding from GEMV to GEMM computation. It then performs structured lookups from an intermediate output buffer, eliminating memory bank conflicts. We further design a hardware-software co-optimized architecture specialized for LLM decoding while remaining compatible with conventional prefill execution. Evaluations show that EVA achieves up to 11.17$\times$ speedup and 7.17$\times$ higher energy efficiency compared with the SOTA lookup-based architecture, while preserving arithmetic precision after vector quantization. Our code is available at https://github.com/dbw6/Eva.git.
Authors: \"Ozkan Canay
Abstract: Effective skills-aware talent recommendation must balance behavioral transition patterns, trajectory-sensitive adaptation, and inspectable occupation-level criteria. Evidence from public benchmarks on how these signals interact, however, remains limited. This study proposes CF-RL-TOPSIS, an interpretable late-fusion model that integrates a transition-aware collaborative branch, a compact reinforcement-style occupation-family bandit, and an entropy-weighted TOPSIS branch constructed from six semantic proxies; the validation-selected fusion coefficients remain auditable. The model is evaluated on two frozen public ICT talent-history benchmarks, JobHop and Karrierewege, using repeated chronological top-5 ranking and paired Wilcoxon tests. On JobHop the full hybrid attains NDCG@5 = 0.3040 +/- 0.0073 and significantly surpasses repeat-last, item Markov, transition-aware collaborative filtering, the CF+TOPSIS hybrid, GRU4Rec, and SASRec (p <= 0.0039 across planned comparisons). On Karrierewege the hybrid remains competitive but does not significantly exceed the strongest Markov baseline, revealing a persistence-dominated setting in which the bandit branch appropriately shrinks to near-zero weight. Proxy-sensitivity, family-level deep Q-network, and runtime checks support this interpretation, and a worked user-level case shows how branch scores, criterion weights, and rank shifts can be inspected for an individual recommendation. The contribution is not a benchmark-agnostic superiority claim, but a reproducible account of the conditions under which transparent late fusion adds value beyond simple continuation heuristics. In semantically rich, non-saturating talent-history regimes the three branches reinforce one another; in persistence-dominated regimes the same architecture remains competitive through its collaborative backbone, with the adaptive branch correctly inactive.
Authors: Sahil Joshi, Prithvi Dixit, Agniva Chowdhury, Anshumali Shrivastava, Joseph E. Gonzalez, Ion Stoica, Kumar Krishna Agrawal, Aditya Desai
Abstract: Sparsity has long been a central theme in LLM efficiency, but its role in context processing remains unresolved. As LLM workloads shift toward longer contexts and agentic interactions, the compute and memory bottlenecks of attention become increasingly critical, raising the question of whether these constraints are fundamental. Our position is that these constraints are artificial and unnecessary, and that the future of LLM inference lies in extreme but principled sparsity along the context dimension. This position is supported by several strands of empirical and theoretical evidence. First, we find the insistence on dense attention unreasonable, since in a long context a query effectively projects O(N) attention information into a hidden space of dimension d << N, making the process inherently lossy. Second, we perform an extensive study of sparsity in LLMs spanning 20 models across five model families, varying context lengths, and different sparsity levels. We empirically demonstrate a strong trend: current LLMs, despite not being trained for context sparsity, are remarkably robust to inference-time decode sparsity across tasks of varying complexity, including retrieval, multi-hop QA, mathematical reasoning, and agentic coding. Importantly, we also show that current hardware is already sufficient to realize substantial gains from this sparsity. For example, our sparse decode kernels accelerate large-context processing by up to 10x over FlashInfer at 50x sparsity levels on hardware such as the H100. Overall, these results position extreme context sparsity not as a heuristic, but as a principled foundation for LLM inference, training, and architecture design: one that is both feasible and beneficial, and a compelling direction for future systems.
Authors: Luis L. Fonseca, Reinhard C. Laubenbacher, Lucas B\"ottcher
Abstract: Ordinary differential equation models of biochemical reactions are often formulated as stoichiometric systems in which the dynamics arise from a collection of interacting processes. A central challenge is that the functional form of each process is rarely known a priori and may be difficult to infer from data. We propose biochemically informed neural ordinary differential equations (BINODEs), a neural-ODE framework that retains the stoichiometric structure of mechanistic models while representing individual processes by neural networks. In BINODEs, the outputs of neural network processes (NNPs) are mapped to state derivatives through a linear layer analogous to a stoichiometric matrix. This architecture allows biological side information, such as process-specific inputs, sign constraints, and monotonicity assumptions, to be built directly into the model. We characterize the approximation properties of NNPs for several standard biochemical rate laws and show that the proposed framework recovers both trajectories and process-level structure in Monod, Lotka--Volterra, pharmacokinetic, and ultradian endocrine models. These results suggest that BINODEs offer a useful compromise between mechanistic interpretability and data-driven flexibility for modeling partially known biochemical or biological dynamical systems.
Authors: Yihan Wang, N. Asokan
Abstract: Memorization in large language models has been studied almost exclusively through prefix-conditioned extraction, a natural choice for autoregressive models. However, diffusion language models (DLMs) can denoise masked tokens at arbitrary positions. Thus, prefix-only probing reveals only one facet of memorization in DLMs and significantly underestimates the risk of training-data extraction. In order to realistically model extractability of training data in DLMs, we introduce \emph{infilling extraction}, a data-extraction protocol parameterized by an arbitrary binary mask that subsumes prefix-only probing and accounts for the bidirectional inductive bias of DLMs. Instantiating it on LLaDA-8B and Dream-7B across five extraction modes, three training pipelines, and three corpora covering verbatim and partial leakage, we find that mask geometry governs extractability: edge-conditioned masks \emph{extract up to three times more} verbatim sequences than prefix-conditioned ones, and bidirectional access opens channels inaccessible in autoregressive models. In particular, we show that a realistic adversary with access to training data where personally identifiable information has been redacted, can even achieve higher recall on extracting redacted email addresses from DLMs than from scale-matched autoregressive models. Tunable parameters for decoding measurably affect extraction performance, while a follow-up supervised finetuning stage does not eliminate the prior memorization.
Authors: Darek Kleczek, Fuheng Zhao, Alexander W. Lee, Julien Tissier, Pawel Liskowski, Ugur Cetintemel, Anupam Datta
Abstract: We introduce AvalancheBench, a benchmark for evaluating enterprise data agents through \emph{latent world recovery}. AvalancheBench improves on existing benchmarks in three ways. First, it evaluates analytical understanding rather than pipeline completion: systems are scored on whether they recover the segments, drivers, temporal events, and relationships that explain the data, not merely on whether they execute a workflow or produce a plausible report. Second, it provides ground truth for goal-driven analytics by generating observations from a known latent world, enabling partial credit for incomplete but valid recoveries. Third, it exposes how early analytical mistakes propagate into later conclusions: missed segments, merged events, or wrong attributions can lead to systematically wrong recommendations. In this sense, AvalancheBench complements real-data benchmarks by providing a controlled setting for diagnosing whether agents recover the analytical structure behind enterprise data. On a first e-commerce use case, the strongest configuration of a leading coding agent recovers only 26\% of the rubric, with failures concentrated in generic customer segmentations and merged temporal events.
Authors: Saebyeol Shin, Chao Wan, Zhenzhen Liu, Justin Lovelace, Daniel C. Lin, Kilian Q. Weinberger, John Thickstun
Abstract: Competitive music transcription models require large amounts of paired audio-score data, which is scarce due to collection costs, alignment difficulty, and copyright restrictions. Meanwhile, vast quantities of unpaired audio recordings and symbolic scores are freely available but have gone unused. We adopt a cycle-consistent translation framework in which a small amount of paired data acts as a minimal anchor, unlocking the full potential of the unpaired pool. We find that: unpaired data yields surprisingly large gains, especially under limited supervision; unpaired audio contributes more than unpaired scores; incorporating unlabeled audio from a new instrument during training improves transcription for that instrument without any paired supervision. Together, these results suggest that scaling unpaired data offers a practical path toward high-quality transcription for instruments where labeled data remains scarce.
Authors: Sevan Brodjian, Michael Hobley, Pietro Perona
Abstract: Sonar is often the only modality suitable for high-resolution imaging underwater due to light attenuation and turbidity. Forward-looking imaging sonar provides measurements over range and horizontal angle but collapses vertical structure into a flat image, creating ambiguities that make 3D recovery challenging. A common use case for imaging sonar is underwater terrain mapping (bathymetry), yet current methods require many views, expensive multi-sensor setups, or significant training data, which limits use and adaptability to new environments. We present a training-free method that recovers bathymetry from a single sonar image in under 30 seconds via differentiable rendering, conditioned on a known seafloor tilt. To our knowledge, this is the first differentiable rendering approach for single-view height recovery in sonar. Our method implements differentiable sonar ray tracing and optimizes an explicit height field to reproduce the target image. On synthetic datasets, our approach outperforms a supervised CNN under distribution shift and remains close on rough terrain, while the CNN wins in-distribution. By modeling physically grounded priors of the sonar process, our method adapts across sensor configurations and environments without training data.
Authors: Yifan Zeng, Yiran Wu, Yaolun Zhang, Wentian Zhao, Kun Wan, Qingyun Wu, Huazheng Wang
Abstract: Multi-agent LLM workflows route inference through specialized roles to lift end-task accuracy, but jointly training those roles with reinforcement learning is unstable in ways that are poorly understood. We study when end-to-end RL training of multi-agent LLM workflows improves over their base models, comparing Shared-Policy training, where all roles update one policy, with Isolated-Policy training, where each role has its own parameters. Our experimental matrix spans Eval-Opt, Voting, and Orch-Workers workflows, math and code tasks, and three model scales (0.6B, 1.7B, 4B). We find that multi-agent RL usually improves over base models, but gains depend jointly on workflow, task, and scale, not on policy sharing alone. Isolated-Policy tends to reach higher peak accuracy yet more often falls off a terminal accuracy cliff, while Shared-Policy training does not eliminate failure; it redistributes failure into qualitatively different patterns. We then explain the strongest of these patterns through role-level gradient dynamics induced by workflow topology and policy routing: under Isolated-Policy, parallel same-role agents on shared prompts amplify per-role gradients and drive terminal degradation in Voting and Orch-Workers workflows; under Shared-Policy, asymmetric per-step gradient mass causes the shared policy to be captured by the dominant role, producing different failure signatures by task and workflow. Together, the empirical map and its underlying mechanisms show that policy sharing routes training pressure through different channels rather than offering uniform stability, making it a design choice with workflow- and task-conditional tradeoffs.
Authors: Yuval Lev Lubarsky, Dean Light, Boaz Berger, Shunit Agmon, Benny Kimelfeld
Abstract: Deep learning over relational databases is conventionally realized by translating data into graph representations and applying graph-based neural networks within external frameworks. This round-trip between the database and external machine learning (ML) systems introduces non-trivial engineering overhead. In effect, these graph neural networks operate on tuple embeddings and manipulate them in ways that capture the interactions induced by relational joins. Given this natural correspondence, there is no fundamental reason why specifying a neural network over relational data should be substantially harder than querying it. We propose an approach that naturally integrates deep learning with database queries. The key idea is to associate each tuple with provenance, represented as a vector embedding with learnable parameters. Queries are lifted to operate jointly on data and embeddings, mapping input relations with embedded tuples to output relations with embedded tuples. This approach provides a declarative foundation for relational deep learning, facilitating integration with database systems, optimization, and wide adoption. We describe RelaNN, a proof-of-concept implementation of this approach built on top of PyTorch and cuDF. We illustrate the utility of RelaNN by implementing various graph-learning models, including graph convolutional networks, heterogeneous graph transformers, hypergraph neural networks and deep homomorphism networks. The simplicity of the programs and their competitive runtime performance demonstrate a concrete path toward making the implementation of state-of-the-art neural networks over databases as simple as writing a query.
Authors: Siqi Li, Chuan Hong, Ziye Tian, Benjamin Sieu-Hon Leong, Koshi Nakagawa, Hideharu Tanaka, Sang Do Shin, Khuong Quoc Dai, Do Ngoc Son, Marcus Eng Hock Ong, Nan Liu, Molei Liu
Abstract: Deploying clinical prediction models across healthcare systems often fails when key training covariates are unavailable at deployment and labeled outcomes are limited in the target domain. For example, high-performing models for out-of-hospital cardiac arrest (OHCA) rely on detailed prehospital measurements routinely collected in high-resource settings but unavailable in many international registries. Existing methods either discard missing covariates, sacrificing predictive information, or rely on untestable assumptions about their target distribution. We propose DRUM (\underline{D}istributionally \underline{R}obust \underline{U}nsupervised transfer learning with structurally \underline{M}issing covariates), a framework that transfers prediction models to target populations where certain covariates are structurally absent and outcome labels are unavailable. DRUM partitions covariates into shared components ($X$), observed across all settings, and missing components ($A$), observed only in the source. Rather than imputing missing covariates, DRUM optimizes worst-case predictive performance over the unknown target distribution of $A \mid X$ using a neural network generator, with a robustness parameter controlling allowable deviation from the source conditional. We further develop a bias correction procedure that reduces sensitivity to nuisance estimation error. Simulations show substantial improvements in both mean and worst-case prediction error under distribution shift. Applied to cross-national OHCA prediction, transferring models from a US registry to multiple Asian registries where prehospital variables are unrecorded, DRUM yields better-calibrated predictions and improved clinical classification performance across sites.
Authors: Zhimin Zhao, Zehao Wang, Abdul Ali Bangash, Bram Adams, Ahmed E. Hassan
Abstract: Evaluation harnesses are software systems that orchestrate model evaluation by managing model invocation, data loading, metric computation, and result reporting. Despite their critical role in machine learning infrastructure, their operational challenges and engineering concerns have received limited attention so far. We present an empirical study of 57 evaluation harnesses, deriving a five-stage harness model and classifying 16,560 issues by workflow stage and root cause. Most harness operational challenges concentrate in the Specification stage (41.4% of issues), where harnesses integrate external models, datasets, and scoring judges. The three most frequent root causes of operational challenges are unimplemented features (24.3%), documentation gaps (20.3%), and missing input validation (17.2%), which together account for 61.7% of classified issues, spanning both defects in existing functionality and capability gaps that block intended workflows. Root causes also vary by workflow stage: environment incompatibility and external dependency breakage account for 36.2% of provisioning issues, whereas algorithmic error (25.9%) and validation gap (22.5%) dominate assessment issues. Together, these contributions establish an empirical foundation for treating evaluation engineering as a distinct software engineering concern.
Authors: Irene Chang, Tarek M. Zikry, Genevera I. Allen
Abstract: Low-dimensional embeddings are widely used as visual summaries of high-dimensional data and to enable downstream scientific discoveries. Yet, popular nonlinear dimension reduction methods, such as t-SNE and UMAP, are often selected based on visual appeal alone and without rigorous quantitative validation. A major reason is that manifold embeddings typically do not provide an out-of-sample map nor an inverse back to the original feature space; this makes held-out validation, the gold standard in supervised learning, all but impossible. To address these challenges, we develop a novel framework, MEDAL (Manifold Embedding Distillation via Autoencoder Learning), which distills a fitted manifold embedding into a reusable encoder--decoder model. MEDAL trains a constrained autoencoder whose bottleneck exactly matches any teacher embedding while the decoder reconstructs the original input; this yields an explicit map for new samples, an approximate inverse, and a pointwise reconstruction-based measure of distortion in the manifold space. This converts static manifold embeddings into models that can be evaluated on held-out data, enabling quantitative validation including comparing different dimension reduction methods as well as hyperparameter tuning. Across multiple benchmark and scientific case studies, we show that MEDAL enables held-out validation to determine optimal manifold embeddings and hyperparameters, reveals biologically coherent regions that are difficult to preserve in two dimensional embeddings, and detects distribution shift when new samples are mapped into a fixed reference manifold. MEDAL provides a general validation wrapper to any existing dimension reduction technique that will improve the rigor and
Authors: Ahmed Sabbah, Mohammad Kharma, Mohammad Alkhanafseh, Radi Jarrar, Samer Zein, David Mohaisen
Abstract: Android malware detectors often degrade after deployment because of concept drift, while full retraining at each maintenance step is costly. We propose a chronological adaptive maintenance framework that models deployment-time maintenance as a sequential decision problem. The framework learns a stable latent representation through self-supervised learning during initialization, freezes the encoder, measures latent drift in the fixed representation space, and performs lightweight downstream adaptation using a trainable adapter and classification head. A proximal policy optimization controller selects low-cost maintenance actions based on the detector state, including current utility, retention on a fixed memory set, latent drift indicators, and update cost. We evaluate the framework under a causal deployment-style protocol on emulator and real Android malware datasets with static and dynamic features. Results show that the RL controller provides a strong cost-aware adaptation strategy, consistently remaining among the top-performing policies while achieving a favorable balance between temporal performance, memory retention, and maintenance cost under non-stationary deployment conditions.
Authors: Mohammed Kharma, Ahmed Sabbah, Mohammad Alkhanafseh, Mohammad Hammoudeh, David Mohaisen
Abstract: The growing use of Large Language Models (LLMs) for automated code generation has enhanced software development efficiency, but often at the cost of security. Generated code frequently overlooks critical concerns, leaving it vulnerable to issues such as weak encryption and improper input validation. To investigate this problem, we present a comprehensive empirical evaluation of the security quality of LLM-generated code across five LLMs and four programming languages (Java, C++, C, and Python), examining the impact of multiple prompt engineering methods. We introduce a weaknesses-aware zero-shot chain-of-thought (WA-0CoT) prompting strategy that enriches prompts with security context using CWE mappings to guide model reasoning. Our empirical analysis, supported by chi-square tests, finds no statistically significant reductions in vulnerability frequency or density across prompt methods. However, prompting strategies, including WA-0CoT, systematically influence the compositional distribution of CWE categories, with effects varying by programming language. These findings suggest that while security-aware prompting alters the structure of generated weaknesses, prompt engineering alone is insufficient to reliably reduce overall vulnerability levels. The results highlight the importance of language-aware and model-aware prompt design when evaluating the security properties of LLM-generated code.
Authors: Mohammed F. Kharma, Mohammad Alkhanafseh, Ahmed Sabbah, David Mohaisen
Abstract: Large language models (LLMs) are widely used for code generation, but their security reliability remains inconsistent across languages and prompting strategies. Existing prompt engineering improves functional correctness but rarely ensures consistent security outcomes. We introduce the \textit{Mitigation-Aware Chain-of-Thought (MA-CoT)} framework, which embeds task-specific CWE mitigation guidance and language-aware safeguards to reduce recurring vulnerabilities in generated code. We evaluate MA-CoT across three LLMs (gpt-5, claude-4.5, gemini-2.5), three programming languages (C, Java, Python), and four prompting strategies (Vanilla, Zero-shot, CoT, MA-CoT) on a 200-task primary dataset, with external validation on LLMSecEval. Using static analysis with expert validation, MA-CoT reduces total security findings from 92 to 39 (57.6\%) on the primary dataset and from 73 to 4 (94.5\%) on LLMSecEval. High-severity findings (Blocker + Critical) drop from 90 to 39 (56.7\%) and from 45 to 2 (95.6\%), respectively. Across both datasets, MA-CoT is the only strategy that consistently improves security reliability; Zero-shot and CoT are less reliable and may increase vulnerability, especially in C. We further introduce a strict layered attribution of vulnerability drivers (language-core vs. stack layers) and show that residual risk concentrates in hardening-oriented patterns (e.g., OS- and toolchain-dependent), motivating secure-by-construction primitives alongside prompting.
Authors: Yoonwon Jung, Aaron S. Cohen, Benjamin K. Bergen
Abstract: Lexical gaps are words that do not exist in certain languages. They pose challenges for building multilingual lexical resources, for machine translation, and for cross-lingual transfer. Existing lexical gap detection relies on human judgments or fixed conceptual taxonomies. We propose a data-driven framework for identifying cross-lingual lexical gaps. We extracted contextualized embeddings from Korean-English bilingual LLMs for Korean-to-English and English-to-Korean translation pairs. Combinations of LLMs, embedding types, dimensionality, and orthogonal transformations across 100 train-test splits yielded 4000 distinct embedding spaces in each source language. In each space, we computed the semantic similarity between each source word and its nearest neighbor in the target language, and compared their distribution for gap words versus non-gap words. In 94% (Korean-to-English) and 97% (English-to-Korean) of embedding spaces, gap words showed weaker cross-lingual semantic alignment than non-gap words. Logistic classifiers trained on unaligned embedding spaces can reliably separate gap words from non-gap words, achieving AUCs of 0.81 (Korean-to-English) and 0.76 (English-to-Korean) and retrieving 18/19 Korean and 26/27 English gap words. This approach provides a language-agnostic and taxonomy-free method for scalable lexical gap identification.
Authors: Toheeb Ogunade, Taofeek Kassim, Etinosa Osaro
Abstract: Quantum machine learning is often motivated by the idea that quantum systems can expose useful high-dimensional structure that is difficult to access with classical models. We isolate one central component of this claim: the fixed data-encoding map. Amplitude, angle, and basis encoding are evaluated as deterministic feature maps for classical supervised learning under matched output dimensionality and strong classical controls. The benchmark compares these encodings against raw linear models, random Fourier features, polynomial features, PCA, RBF SVMs, and shallow neural networks across diverse classical datasets. Rather than treating performance as a single endpoint, we analyze the geometry of each representation through effective rank, condition number, centered kernel alignment, predictive performance, and practical overhead. The resulting picture is mechanistic: amplitude encoding can remove magnitude information through unit-sphere normalization, angle encoding can become geometrically redundant with raw linear features, and basis encoding can impose a binary Hamming geometry that is poorly aligned with smooth decision structure. These findings do not argue against quantum computation, however, they show that fixed quantum-inspired encoding geometry alone is not a reliable source of machine-learning advantage on classical data.
Authors: Hanxuan Ye, Hongzhe Li
Abstract: Multicalibration extends classical calibration by requiring predictions to be unbiased over a rich collection of functions, encompassing both prediction slices and subpopulations. It has emerged as a powerful framework for fairness, robustness, and reliable prediction, yet the theoretical understanding of multicalibration boosting (MCBoost) remains fragmented and often relies on restrictive assumptions. In this work, we develop a unified and refined perspective on MCBoost that subsumes existing variants, including multiaccuracy, BatchGCP, and BatchMVP. We uncover several phenomena that provide new insights into its practical behavior: even highly accurate and flexible predictors can remain substantially miscalibrated; enforcing multicalibration introduces a calibration-risk trade-off; and early stopping plays a central role in controlling this trade-off. On the theoretical side, we establish a general framework for MCBoost under weaker and more realistic conditions. We show that the boosting iterates converge to a Bregman projection of the population-optimal predictor onto the cumulative span generated by the audit class, thereby explicitly characterizing the function space on which multicalibration is achieved. We further derive convergence rates under different smoothness assumptions, finite-sample guarantees, and principled stopping rules that ensure multicalibration at termination. Finally, we extend the theory of universal adaptability under covariate shift, providing more general transfer guarantees and clarifying when multicalibrated predictors generalize across domains. These results provide a more complete theoretical foundation and practical guidance for multicalibration boosting, positioning it as both a unifying framework and a reliable post-processing approach for modern predictive models.
Authors: Kaiqiao Han, LuAn Tang, Renliang Sun, Peng Yuan, Wei Cheng, Haoyu Wang, Wei Wang, Yizhou Sun, Haifeng Chen
Abstract: Large Language Models (LLMs) have been widely adopted in conversational applications. However, their reliance on parametric knowledge limits reliability in real-world scenarios that require dynamic or domain-specific information. Retrieval-Augmented Generation (RAG) addresses this limitation by incorporating external knowledge during generation, but existing text-based and graph-based RAG methods often struggle with noisy or irrelevant contexts. In this work, we propose Structure-aware Retrieval Augmented Generation (SA-RAG), which uses tables as an intermediate structured representation to provide a compact and controllable interface that reduces noise while preserving essential information. We introduce a quality-aware table metadata generation framework that models metadata normalization and effectiveness, improving metadata quality and downstream performance. Furthermore, we explore both training-free and training-based table generation methods. Generation validation and direct preference optimization further improve table quality while maintaining semantic and structural consistency. Experiments on two noisy real-world datasets show that SA-RAG significantly outperforms existing RAG baselines. Our code is publicly available at a public repository.
Authors: Rafael Mendon\c{c}a Duarte, Jean Roberto Ponciano, Lucas Pascotti Valem
Abstract: The exponential growth of data has intensified the gap between the availability of unlabeled data and the high cost of manual annotation. Graph Neural Networks (GNNs) have emerged as a promising solution, as they exploit relational structures and learn from both labeled and unlabeled data, performing semi-supervised learning. A crucial component of many of these models is degree-based normalization, which influences message propagation but typically assumes uniform importance among neighboring nodes. In image classification, graphs are usually constructed from feature similarity, where treating all neighbors equally may overlook important variations in relevance. Motivated by this gap, we propose GRaNDe (Gaussian Rank-based Neighborhood Degree). This novel degree measure integrates neighborhood ranking with Gaussian distance weighting to better capture node importance. Experiments on five public image classification datasets show consistent accuracy improvements and competitive or superior results compared to state-of-the-art methods.
Authors: Alexander He, Nana Liu, Mark M. Wilde
Abstract: Fermi-Dirac machines were proposed recently as an approach to solving semidefinite optimization problems on quantum computers. Here, we reinterpret them as canonical quantizations of classical neurons. By viewing a classical neuron as an activation function applied to a parameterized classical Hamiltonian, we quantize this model by replacing classical variables with operators whose eigenvalues encode their possible values. This follows the standard approach to canonical quantization in quantum mechanics. Crucially, when the Hamiltonian consists of commuting operators, our construction reduces exactly to a classical neuron. More generally, our approach yields an activation observable, defined as an activation function applied to a parameterized quantum Hamiltonian. The output of this quantized neuron is a random variable with expectation value equal to that of the activation observable with respect to an input state. We develop efficient hybrid quantum-classical algorithms for evaluating outputs and gradients of our quantized neurons, enabling evaluation and training. These algorithms rely on basic primitives that include random sampling, Hamiltonian simulation, and the Hadamard test. We also quantize a whole host of other activation functions, including the smooth rectified linear unit (ReLU), sigmoid linear unit, Gaussian-smoothed ReLU, and Gaussian error linear unit (GeLU), which are known to be useful for deep learning applications. Numerical experiments indicate that neurons based on quantum Hamiltonians can learn functions that classical neurons cannot. We further define a computational decision problem based on Fermi-Dirac neurons and prove that it is BQP-complete, providing complexity-theoretic evidence against efficient classical simulation. Finally, we generalize our approach to continuous quantum variables and sketch two different ways of composing these neurons into networks.
Authors: Alexander Mihalcea
Abstract: Existing language model applications struggle to meet the demand for emotionally oriented support, primarily due to their inability to maintain deep, persistent context across sessions. This report introduces Psych LM, an iOS application that validates the thesis that, for such applications, the surrounding architecture is paramount. Psych LM runs a local, on-device language model within a purpose-built, local-first runtime designed for behavioral and life-coaching applications. The system achieves the practical effect of a near-infinite context window through an automated, user-inspectable memory corpus that converts conversations into structured memory cards, including facts, goals, and events, and dynamically injects them into the prompt via semantic and vector search. As such, the system can be defined as an active-learning, retrieval-augmented generative, on-device architecture. This architecture delivers four primary contributions: a local-first design where privacy is a core property; a detailed description of the memory corpus for persistent context of key user information; a deterministic orchestration layer that provides a stable behavioral spine independent of the model's internal state; and a benchmark framework focused on evaluating the integrated system's reliability under realistic operating conditions. The R and D process confirms that complex, context-aware interaction can be reliably achieved under the strict constraints of a mobile environment by prioritizing architectural control and resource management over simple model size.
Authors: Rohan Pandey, Archit Bhujang
Abstract: Large language models (LLMs) are increasingly used as analyst assistants in security operations centers (SOCs), where they ingest log and alert data to produce triage labels, incident summaries, or remediation advice. We study a structural failure mode of this design: many log fields are attacker controlled. User agents, URLs, payloads, DNS queries, and attempted usernames can therefore carry instructions to the model alongside evidence of the intrusion. We call this setting \emph{log-substrate prompt injection}. We introduce a four-class taxonomy of log-substrate attacks: direct override (S1), persona hijack (S2), context manipulation (S3), and obfuscated payloads (S4). We evaluate 48 strategy-defense-task combinations using \texttt{gpt-4o-mini} as the analyst. Three findings stand out. First, direct overrides are ineffective in our setting: all S1 classification attacks achieve 0\% suppression. In contrast, persona hijacks suppress 68\% of malicious logs under a naive classifier and remain effective under stronger defenses. Second, summarization is the highest-risk task: context manipulation reaches 96\% injection success without defenses and 38\% even with constrained output. Third, defenses reduce but do not eliminate the attack surface: average injection success falls from 26.6\% under naive prompting to 11.8\% under our strongest defense. We also compare empirical results to a deterministic mock analyst and find that simulation substantially mispredicts current model behavior, especially for direct overrides. These results suggest that SOC copilots should treat raw log content as adversarial input rather than ordinary analyst context.
Authors: Hua Li, Xue Jia, Yilin Kang, Wing-Keung Wong
Abstract: Stochastic Dominance (SD) theory provides a rigorous framework for selecting superior assets tailored to the asset allocation needs of investors with varying risk preferences (i.e., risk-averse, risk-seeking, and risk-neutral). However, traditional stock clustering methods typically rely on geometric metrics such as Euclidean distance, which often fail to effectively capture the intrinsic risk dominance relationships among assets. To address this limitation, this paper proposes an innovative clustering analysis framework based on SD test statistics. Methodologically, this study deeply integrates SD theory with machine learning algorithms. Transcending the limitations of traditional reliance on geometric distance, we innovatively utilize test statistics from first-, second-, and third-order SD to construct a "Stochastic Dominance Coefficient Matrix." Building upon this matrix, we modify the classic K-means and Hierarchical Clustering algorithms. Specifically, we derive 12 distinct algorithm variants tailored to different orders of SD relationships. Simultaneously, we construct the SD-SC coefficient and the SD-DBI index as specialized validity indices to evaluate the clustering performance. Empirically, we analyze constituent stock data from a representative developed market (the US NASDAQ Index) and an emerging market (China's CSI 100 Index). The results verify the effectiveness and robustness of the proposed method. Furthermore, we apply the clustering results to the modification of the Single Index Model and the construction of Global Minimum Variance Portfolios (GMVP). The findings demonstrate that the proposed method effectively facilitates customized asset allocation for investors, holding significant theoretical value and practical implications.
Authors: Kai Fang, Hailong Pei, Xuemin Chi
Abstract: Flow-matching robot policies commonly use action-chunking inference for efficient closed-loop control, but chunk boundaries can introduce discontinuous action transitions. Existing RTC guidance improves continuity by injecting correction signals during denoising, yet its weight schedule is weak at intermediate timesteps and its unconstrained correction direction may introduce transverse perturbations. We propose POTR, a **p**rior-corrected **o**rthogonal **t**rust-**r**egion guidance method. First, we incorporate a data-prior scale $\sigma_d$ into the RTC guidance weight, yielding stronger intermediate-time correction. Second, we decompose the guidance vector into components parallel and perpendicular to the denoising velocity, and constrain the perpendicular component within a trust region. On LIBERO with $\pi_{0.5}$, POTR improves success rate and consistently reduces chunk-boundary discontinuity, acceleration, and jerk compared with RTC. Ablations show that the prior-corrected weight provides the main correction gain, while the orthogonal trust region further improves stability.
Authors: Jayprakash S. Nair, Jimson Mathew, Shivashankar B. Nair
Abstract: Selecting the most suitable algorithm for a given problem instance remains a challenging task, particularly in online or dynamic environments where problem characteristics evolve over time. Relying solely on instantaneous performance metrics can result in a reactive and unstable behaviour, often leading to suboptimal algorithm switching. This paper introduces a computationally efficient approach for aggregating an algorithm's performance across multiple problem instances that is fairly immune to erratic variations in instance features. Inspired by features inherent to Reinforcement Learning (RL), this technique encapsulates rewards and penalties into a latent yield that, in turn, triggers exploitation and exploration, consequently resulting in adaptive algorithm switching. The proposed technique employs island models, inspired by Genetic Algorithms, to facilitate parallel exploration and performance exchanges among algorithm populations inhabiting local repertoires. Experimental evaluations on sorting algorithms and robotic obstacle avoidance tasks demonstrate the feasibility and effectiveness of the approach, highlighting its potential in domains where adaptive algorithm selection is critical.
Authors: Shiladitya Dutta, Aayush Gupta, Varun Saran, Avideh Zakhor
Abstract: Although quadcopters boast impressive traversal capabilities enabled by their omnidirectional maneuverability, the need for continuous pilot control in complex environments impedes their application in GNSS and telemetry-denied scenarios. To this end, we propose a novel sensorimotor policy that uses stereo-vision depth and visual-inertial odometry (VIO) to autonomously navigate through obstacles in an unknown environment to reach a goal point. The policy is comprised of a pre-trained autoencoder as the perception head followed by a planning and control LSTM network which outputs velocity commands that can be followed by an off-the-shelf commercial drone. We leverage reinforcement and privileged learning paradigms to train the policy in simulation through a two-stage process: 1) initial training with optimal trajectories generated by a global motion planner acting as a supervisory backbone, 2) further fine-tuning in a curriculum environment. To bridge the sim-to-real gap, we employ domain randomization and reward shaping to create a policy that is both robust to noise and domain shift. In outdoor experiments, our approach achieves successful zero-shot transfer to both obstacle environments and a drone platform that were never encountered during training.
Authors: Volodymyr Ovcharov
Abstract: Legal NLP benchmarks evaluate models on randomly split data, implicitly assuming that legal language is stationary. We test this assumption by fine-tuning four transformer encoders -- XLM-RoBERTa (base and large) and their legal-domain variants -- on Ukrainian court decisions from three temporal epochs defined by geopolitical disruptions: pre-war (2008-2013), hybrid war (2014-2021), and full-scale invasion (2022-2026). Each model is trained on one epoch and evaluated on all three, producing a 3x3 cross-temporal generalization matrix. Four findings emerge. (1) Forward degradation is severe: models trained on pre-war data lose up to 27.2 percentage points of macro-F1 when applied to full-scale invasion era decisions. (2) The degradation is asymmetric: backward transfer (full-scale to pre-war) is substantially more robust than forward transfer, consistent with the hypothesis that legal language is additive. (3) Legal-domain pretraining (Legal-XLM-R) does not improve absolute performance but reduces forward degradation magnitude and asymmetry. (4) Chronological continual learning eliminates catastrophic forgetting for general XLM-R: pre-war knowledge is fully retained (+1.8 to +6.2 pp) while full-scale performance gains +16.5 to +19.0 pp; reverse-chronological training causes severe forgetting. Cross-jurisdictional pretraining on Swiss Judgment Prediction data improves absolute performance but does not reduce temporal degradation magnitude, confirming that temporal drift is an intrinsic property of legal language evolution. The dataset (428K decisions across three epochs) is publicly available as a LEXTREME contribution.
Authors: Hongshuo Zhao, Zeyi Liu, Xiao He
Abstract: Data streams in real-world industrial scenarios often contain transitional operating conditions that are uncovered during offline training, leading to significant distribution shifts. To bridge the gap between static offline models and dynamic online data, a novel asymmetric adaptation-based fault diagnosis method is proposed in this paper. Specifically, in the offline stage, we employ domain generalization techniques to extract domain-invariant features from multiple stable conditions and construct robust normalized fault prototypes as reference anchors. Subsequently, during online inference, we design an online test-time adaptation method based on a periodic prototype re-projection mechanism to dynamically update prototype positions. Furthermore, we utilize the geometric distribution derived from anchors to guide the updates of classifiers and adopt an asymmetric learning rate strategy for the feature extractor and classifier. The proposed approach ensures rapid adaptation to new transitional conditions while preserving the discriminative power inherited from the offline domain generalization initialization. Experimental results demonstrate that this mechanism effectively leverages offline generalized knowledge to guide online inference, significantly improving robustness in non-stationary environments.
Authors: Rongsheng Chen, Changliang Zhou, Canhong Yu, Yuanyao Chen, Yu Zhou, Zhuo Chen, Zhenkun Wang
Abstract: Generalist neural routing solvers have shown great potential in solving diverse vehicle routing problems (VRPs) with a unified model. However, existing solvers are typically limited to symmetric settings or degrade in performance when switching to asymmetric settings due to input inconsistencies or inherent structural differences, substantially limiting their practicality in real-world scenarios that encompass both scenarios. To address this limitation, we define the spatial position of each node based on the relative distances to a specific set of pivots and further propose a Spatial Pivot-Aligned Coordinate-free Embedding (SPACE) framework that unifies node representation and solution generation across symmetric and asymmetric VRPs. Specifically, we construct a bidirectional Frechet representation using a novel furthest pivot sampling strategy to enable invariant node representations across distinct problem settings. Furthermore, we introduce a weight-decomposed adaptive decoding mechanism that decouples geometric perception from problem representations, mitigating the overfitting of constraint decisions to a specific geometry setting. Extensive experiments on 110 VRP variants, comprising 55 symmetric problems and their asymmetric counterparts, demonstrate that SPACE achieves promising zero-shot generalization in both symmetric and asymmetric VRPs.
Authors: Yunhua Pei, Zerui Ge, Jin Zheng, John Cartlidge
Abstract: Multi-agent LLM decision systems for portfolio management still lack a principled way to assign credit across specialist agents, remain vulnerable to cold-start dominance under regime shifts, and offer limited transparency into how final allocations are formed. We propose Market Regime Council (MRC), a cooperative multi-agent decision system that computes exact Shapley credits across all single, pairwise, and Grand-coalition outputs for online agent weighting. Instantiated with N=3 specialist agents, at each trading period, MRC recomputes coalition-based Shapley weights from exponentially weighted performance histories, uses a Bayesian adaptive mixture to stabilize early periods, applies regime-dependent multipliers to adjust agent authority, and records each rebalance through a five-layer causal trace. Over 1,037 trading days across 13 crypto assets and five seeds, MRC achieves a Sharpe ratio of 1.51 and a cumulative return of 440.1%, ranking first on CR, SR, and IR among active baselines and attaining the lowest MDD among active methods. Ablation results show that the gains come from Shapley-weighted integration across coalition outputs rather than from any single stage in isolation. Code and demo data are included in the supplementary material.
Authors: Khen Cohen, Mark Glass, Meir Feder, Yaron Oz
Abstract: We introduce a physics-inspired continuous relaxation framework that yields substantially improved solutions for NP-hard combinatorial optimization problems, including Quadratic Unconstrained Binary Optimization (QUBO), binary sparse coding, and planted-solution Ising models. By parameterizing discrete binary variables as continuous wave-like states on the complex unit circle, we inherently smooth highly non-convex energy landscapes. We show that representing binary variables as complex phases reveals an implicit regularization mechanism that promotes convergence toward discrete states. Extracting this mechanism yields significant improvements even within standard real-valued optimization frameworks, using this regularizer explicitly. Empirically, this regularization yields vastly higher ground-state convergence rates than standard real-valued alternatives. Our models achieved zero error in large-scale 160x160 QUBO tasks under severe noise (sigma=0.25), and outperformed traditional algorithms (OMP and LASSO) in underdefined sparse coding with perfect recovery at sigma=0.15. The solver's robustness was further validated by recovering exact ground-state configurations in 8 out of 11 rigorously engineered planted-solution benchmarks.
Authors: Ofir Abramovich, Nadav Z. Cohen, Adi Rosenthal, Ariel Shamir
Abstract: Latent video diffusion models generate videos by progressively transforming Gaussian noise into realistic samples conditioned on text or visual inputs. However, existing conditioning methods often require additional training and computational overhead. Motivated by recent findings on the importance of frequency components in generative models, we propose a simple, training-free approach for motion-conditioned video generation by injecting low-frequency phase information from a reference video directly into the diffusion noise latents. Our method transfers motion cues without modifying the model architecture or inference pipeline. Using several applications, we demonstrate effective control over both appearance and dynamics in generated videos, while achieving competitive or superior results compared to more complex conditioning approaches.
Authors: Muhammad Muneeb, David B. Ascher
Abstract: Missense variant interpretation remains challenging because pathogenicity depends on heterogeneous evidence from population frequency, evolutionary conservation, transcript context, amino acid substitution severity, prior pathogenicity predictors and protein-language-model-derived features. We present AnnotateMissense, a scalable annotation, benchmarking and genome-wide prediction framework for missense variant interpretation. AnnotateMissense integrates hg38 missense variants derived from dbNSFP v5.1 with ANNOVAR annotations, dbNSFP transcript/protein descriptors, AlphaMissense scores, ESM-derived features, conservation metrics, population-frequency variables, established pathogenicity predictors and engineered amino acid/codon-context features. Using 132,714 ClinVar-labelled missense variants, we benchmarked machine-learning and deep-learning models under controlled feature configurations. The full 303-feature benchmark set achieved the strongest performance with XGBoost, reaching mean MCC = 0.9411 and ROC-AUC = 0.9950 across stratified five-fold cross-validation. Restricted naive and location-oriented feature sets achieved lower best MCC values of 0.4989 and 0.5113, respectively. Circularity-controlled ablations showed that removing prior-predictor, population-frequency and clinically overlapping evidence reduced performance, whereas excluding AlphaMissense and ESM-derived features alone had minimal effect. Temporal ClinVar validation on newly observed pathogenic/benign variants achieved MCC = 0.7613, accuracy = 0.8798 and F1-score = 0.8750. The final model was applied to 90,643,830 hg38 missense variants to generate AnnotateMissense pathogenicity scores and binary prediction labels. Code and outputs are available at https://github.com/MuhammadMuneeb007/CAGI7_Annotate_All_Missense and https://doi.org/10.5281/zenodo.19981867.
URLs: https://github.com/MuhammadMuneeb007/CAGI7_Annotate_All_Missense, https://doi.org/10.5281/zenodo.19981867.
Authors: Jeffrey Qin, Wasu Top Piriyakulki, Zhuangfei Gao, Mia Radovanovic, Jessica Sommerville, Kevin Ellis, Marta Kryven
Abstract: Real world decision-making requires constructing mental models under uncertainty over evidence, over the underlying causal rules, and over the state of the world itself. Which computational principles underpin human inference under such conditions, and do LLM-based agents exhibit similar behavior given matching constraints? We address these questions using an inductive inference Box Task in which participants, human children and LLM-based agents, infer a latent cause through sequential interaction with an uncertain environment. We formalize this task as program induction with Bayesian particle-based inference, admitting two complementary interpretations: (1) as a constraint satisfaction process over hypotheses, and (2) as a program synthesis problem in which hypotheses are executable programs evaluated against evidence. Using the constraint-based formulation, we show that children's behavior is best explained by a combination of subjective evidence reliability and online hypothesis generation, accounting for both their evidence-seeking patterns and their dissociation between task completion and rule generalization. Using the program synthesis formulation, we treat LLM-based agents as model organisms: controllable systems that allow systematic manipulation of task conditions. Across backends, LLM-based agents replicate children's responses to changes in evidence reliability and observability, including discounting unreliable evidence, seeking to resolve partial information, and dissociating between task completion and causal generalization. At the same time, LLM-based agents tend to over-observe and over-comply with instructions relative to children. These results suggest that while children and LLM-based agents adapt similarly to environmental structure, their information-seeking behavior exhibits distinct underlying costs and inductive biases.
Authors: Luoyu Chen, Weiqi Wang, Zhiyi Tian, Chenhan Zhang, Feng Wu, Jianhuan Huang, Ahmed Asiri, Shui Yu
Abstract: Jailbreak prompts can trigger harmful completions on aligned LLMs, In accordance, safety steering has been proposed: test-time activation interventions that steer jailbreak activations to trigger refusal while preserving benign utility. However, existing steering methods are fundamentally supervised and tied to a static, limited training set, whereas real jailbreaks evolve and are often out-of-distributed from the training set, leading to failures on unseen attacks. In this paper, we tackle the failure on unseen jailbreaks problem, base on unsupervised latent direction discovery. We propose a bi-level adversarial training framework for zero-shot jailbreak defense. In the inner step, we simulate diverse jail-broken activations by extrapolating from refusal-state harmful-request activations via unsupervised latent direction discovery, which expands the coverage of real jailbreak activation subspaces. In the outer step, we train a potential-induced steering field to push these adversarial jailbroken states into refusal regions while keeping benign unchanged. Across three LLMs and six classical jailbreak families, our method achieves strong defense with attack success rates mostly below 5%, and rising subspace coverage throughout training helps explain the improved generalization.
Authors: Petar Radanliev
Abstract: This paper examines the erosion of Public Key Cryptography (PKC) security under adaptive adversarial optimisation driven by artificial intelligence. The problem addressed is the growing mismatch between algorithm-centric cryptographic security models and operational attack realities, where adversaries exploit implementation-level observability rather than breaking cryptographic primitives.
Authors: Seokil Ham, Jaehyuk Jang, Wonjun Lee, Changick Kim
Abstract: Fine-tuning-as-a-Service (FaaS) enables personalization of large language models (LLMs), but it can weaken safety-alignment under harmful fine-tuning attacks. Recent work has shown that activating harmful-behavior modules during fine-tuning can prevent models from learning undesired behaviors, but its mechanism remains unclear. In this paper, we revisit temporary jailbreaking as a defense against harmful fine-tuning and provide a gradient-level analysis showing that it saturates safety-degrading gradients while preserving benign task-relevant gradients. Based on this insight, we propose a Buffer-and-Reinforce fine-tuning framework that buffers harmful updates during user fine-tuning and reinforces safety after adaptation. Specifically, BufferLoRA induces temporary jailbreaking as a removable adapter to reduce harmful updates during user fine-tuning. After adaptation, ReinforceLoRA, trained to recover refusal behavior under the temporarily jailbroken state, is integrated with UserLoRA via QR decomposition-based merging to reinforce safety while preserving user-task performance. Extensive experiments show that our framework achieves superior safety and utility with no additional safety data during user fine-tuning and minimal computational cost.
Authors: Yosef Worku Alemneh, Kidist Amde Mekonnen, Maarten de Rijke
Abstract: Multilingual retrieval increasingly underpins cross-lingual question answering and retrieval-augmented generation. Strong zero-shot scores on multilingual benchmarks are often taken as evidence that current encoders transfer reliably across many languages. We argue that this assumption breaks down for underrepresented, morphologically rich languages, and use Amharic as a diagnostic case. Under a shared passage retrieval protocol covering dense, late-interaction, learned sparse, and cross-encoder paradigms, we compare zero-shot multilingual retrievers, Amharic-fine-tuned multilingual retrievers, and monolingual Amharic retrievers. The strongest zero-shot multilingual retriever underperforms the strongest monolingual Amharic first-stage retriever by 23% relative MRR@10. Fine-tuning two recent multilingual embedding models on the same Amharic supervision yields 32-60% relative MRR@10 gains over zero-shot, but the best Amharic-fine-tuned multilingual model remains below the strongest monolingual Amharic retriever. These findings indicate that zero-shot multilingual retrieval is not a sufficient proxy for equitable information access in the LLM era: for underrepresented languages, retrieval must be evaluated and adapted in-language rather than inferred from aggregate multilingual benchmarks. To foster future research, we publicly release the dataset, codebase, and trained models at https://github.com/rasyosef/amharic-neural-ir.
Authors: Weixian Waylon Li, Mengyu Wang, Tiejun Ma
Abstract: Backtesting large language models (LLMs) on historical financial data is unreliable because pre-training cuts off after the events happened. An LLM trained in 2024 already "knows" which way 2018-2020 stocks moved. We name this failure parametric look-ahead bias and propose FinCAD, an inference-time adaptation of Context-Aware Decoding that suppresses an LLM's memory of historical outcomes without retraining. FinCAD pairs an adversarial bias-discovery pipeline that learns a model-specific memory-activating prior prompt with an entity- and date-adaptive rule that scales the CAD strength to per-(entity, date) memorisation, so the penalty fires on memorised in-sample dates and decays to zero out-of-sample. Across five 7-14B LLMs and five mega-cap equities, FinCAD cuts in-sample backtest returns by up to -67.1% on memorised dates while leaving 2025 out-of-sample returns within $8K and Sharpe within 0.10 of baseline, and preserves general-purpose reasoning within 1.7 pts. On an eleven-model leaderboard, it raises the in-sample / out-of-sample Spearman correlation from +0.779 to +0.846, recovering rankings that genuinely predict out-of-sample performance.
Authors: Joshua Siy, Huakun Liu, Yutaro Hirao, Monica Perusquia-Hernandez, Hideaki Uchiyama, Kiyoshi Kiyokawa
Abstract: Human motion diffusion models can synthesize action sequences from text, but controlling motion intensity remains challenging. Existing approaches rely on effort-related adverbs, which are ambiguous and fail to capture quantitative aspects such as pacing, often resulting in flat and monotonous dynamics. We propose an intensity-control framework based on Effort Metric Attention (EMA), a cross-attention module that conditions diffusion on numerical effort signals. Inspired by Laban Movement Analysis (LMA), the framework focuses on the Time and Weight effort factors. We approximate these factors using two kinematic metrics: peak joint positional change for pacing and collective joint positional change for motion amount. EMA enables fine-grained, region-wise control without costly post-hoc optimization. We introduce two evaluation tasks, metric-to-motion consistency and body-part-level effort modulation, to assess numerical fidelity and localized control. Experiments and a user study show near-monotonic alignment between specified effort levels, generated motion dynamics, and established LMA descriptors. These results indicate effective and interpretable control of effort dynamics in practice.
Authors: Shubham Gupta, Nikhil Panwar, Partha Pratim Roy
Abstract: While Deep Learning (DL) enhances automated electrocardiogram (ECG) analysis, clinical deployment is hindered by class imbalance and the generalization gap. This paper presents HeartBeatAI, a deep learning framework combining domain generalization, multi-scale feature aggregation, and clinical explainability for robust 12-lead ECG classification. Moving beyond image-based paradigms, HeartBeatAI integrates a Squeeze-and-Excitation (SE) ResNet to isolate diagnostic leads alongside a Multi-Layer Concentration Pipeline to capture macro-rhythm and micro-morphological anomalies. To mitigate domain shift, the framework employs MixStyle regularization and Label Smoothing. Rigorous benchmarking across four large-scale datasets using intra-source and Leave-One-Domain-Out (LODO) protocols demonstrates high performance (98% Macro F1-score) under intra-source conditions. However, LODO evaluations reveal significant degradation in detecting rare anomalies, highlighting a persistent challenge in cross-institutional deployment.
Authors: Ziyan Huang, Lang Wu, Hongji Wang, Yifei Liu, Dongliang Tang, Hongqiao Wang
Abstract: Low-light, long-exposure defocus deblurring remains a challenging problem due to the simultaneous presence of severe blur and complex biased noise. Existing methods typically rely on simplified noise assumptions, which limits their effectiveness under realistic imaging conditions. In this work, we propose Physen-Noise2Noise, a self-supervised deblurring framework guided by the physical model of defocus imaging, which leverages noisy multi-frame observations without requiring clean reference images. Unlike conventional Noise2Noise-based approaches that assume zero-mean noise, we derive a frequency-domain constraint inherent to the defocus imaging process and incorporate it into the learning framework via a learnable noise bias parameter. In addition, a multi-frame noisy initialization strategy is introduced to suppress complex biased noise prior to deblurring, providing a more stable starting point for reconstruction. This formulation explicitly models biased noise and enables joint bias correction and high-frequency detail recovery during training. Furthermore, we develop a pretrain-finetune variant to enhance robustness and generalization under challenging noise conditions. Extensive experiments on both simulation and real-world datasets demonstrate that the proposed method consistently outperforms state-of-the-art self-supervised approaches for defocus deblurring in the presence of complex biased noise.
Authors: Andreas Opedal, Francesco Ignazio Re, Abulhair Saparov, Mrinmaya Sachan, Bernhard Sch\"olkopf, Ryan Cotterell
Abstract: Many applications of large language models (LLMs) require deductive reasoning, yet models frequently produce incorrect or redundant inference steps. We frame natural language inference as a search problem where the final answer is the valid proof itself, requiring a reasoning procedure in which intermediate inferences are correct. Specifically, we investigate whether LLMs can learn to generate correct and efficient proofs with guidance from A* search -- an algorithm that guarantees an optimally efficient path to a goal. We explore two training techniques: supervised fine-tuning on execution traces from A* and reinforcement learning with A*-informed process reward models. Empirically, we find that Llama-3.2 models in the 1B--3B range benefit substantially from A* post training, going from near-zero accuracy to outperforming DeepSeek-V3.2 -- a much larger model. Our analysis uncovers a trade-off: while simple correctness rewards maximize accuracy, A*-informed signals strike a balance between accuracy and efficiency. Furthermore, we find that on larger search spaces, models trained with imperfect heuristics exhibit superior accuracy. Our results demonstrate a promising direction towards reasoning guided by principles derived from classical search algorithms.
Authors: Piotr Wilam
Abstract: A sparse 8-layer code transformer develops dedicated neural circuitry for every Python construct tested, and that circuitry is organised by a clean computational principle rather than by semantic category. We extract neural circuits for 106 concepts (43 AST node types, 63 builtin objects) by marginalising across 63,800 controlled prompts, and decompose each circuit into concept-specific and token-driven components using contrastive checker prompts that present a keyword token without its associated syntactic structure. Three findings emerge. First, all 106 concepts produce non-empty universal circuits at every one of nine parameter settings, and the ranking of concept-specificity across constructs is stable across the sweep - survival is not an artifact of a permissive threshold. Second, AST circuits contain a genuine concept component distinct from token activation: concept-only neurons constitute up to 62.5% of the loudest-firing neurons at mid-to-late layers, while builtin circuits are almost entirely token-driven. Third, six computationally atomic constructs - Import, ImportFrom, Break, Continue, Pass, Assert - cluster together despite being semantically unrelated, sharing only the property of being single-statement constructs requiring no nested body; this atomicity super-cluster, together with a four-tier hierarchy organised by token ambiguity and structural distinctiveness, shows that the model's internal organisation tracks computational structure rather than meaning. The methodology, full decomposition data, and analysis code are released.
Authors: Gustavo (Jesus), Angulo
Abstract: We develop a rigorous algebraic framework for deep convolutional architectures, CNNs, ResNets, and encoder--decoder networks such as UNet, grounded in lattice theory and mathematical morphology. The central tool is the Matheron--Maragos--Banon--Barrera (MMBB) universal representation theory for translation-invariant operators, which we apply systematically to every layer of a standard deep network. The principal finding is that the standard CNN pipeline (linear convolution~$+$ ReLU~$+$ flat max-pooling) is a cross-lattice operator: the convolution is an erosion in the Fourier inf-semilattice while ReLU is a lattice-join closing and max-pooling is a dilation in the pointwise max-plus lattice, and their composition is a morphological opening in neither. A second finding is that the upper adjoint of ReLU in the pointwise lattice is a global (non-local) operator, the identity on globally non-negative functions and $-\infty$ otherwise, so no local morphological erosion can form an adjunction pair with ReLU. These two results together provide the precise algebraic reason why depth in standard CNNs introduces genuine representational power: the composed layer is not idempotent. Three layer designs that are genuine idempotent openings are identified and fully characterised: the pure max-plus morphological layer (pointwise lattice), the spectral Wiener layer (Fourier lattice), and the self-dual morphological layer. We establish a complete fixed-point and convergence theory. The framework also unifies max-pooling, strided convolution, and the Laplacian pyramid under the Goutsias--Heijmans adjoint pyramid theory, and gives the Activation--Pooling Dilation (APD) factorisation with its correct adjoint.
Authors: Jaeung Lee, Dohyun Kim, Jaemin Jo
Abstract: Large language model (LLM) unlearning has emerged as a crucial post-hoc mechanism for privacy protection and AI safety, yet auditing whether target knowledge is truly erased remains challenging. Existing output-level metrics fail to detect when this knowledge remains recoverable from internal representations. Recent white-box studies reveal such residual knowledge but often rely on auxiliary training or dataset-specific adaptations, leaving no generalizable metric. To address these limitations, we propose the Unlearning Depth Score (UDS), a metric that quantifies the mechanistic depth of unlearning via activation patching. UDS first identifies layers that encode the target knowledge using a retain model baseline, then measures how much of it is erased in the unlearned model on a 0-1 scale. In a meta-evaluation across 20 metrics on 150 unlearned models spanning 8 methods, UDS achieves the highest faithfulness and robustness, confirming our causal approach as the most reliable for unlearning evaluation. Case studies further reveal that white-box metrics can disagree at the layer level and that erasure depth varies across examples. We provide guidelines for integrating UDS into existing benchmarking frameworks and streamlining the evaluation pipeline. Code and data are available at https://github.com/gnueaj/unlearning-depth-score
Authors: Ghassen Marrakchi, Basarab Matei
Abstract: Scattering transforms achieve Lipschitz stability and translation invariance, but dense prediction tasks require preserving spatial structure lost in global averaging. We propose Phase-Aware Scattering Encoder-Decoder, which restores this information by explicitly preserving phase in skip connections. On image denoising (BSD68), breaking translation invariance improves PSNR by $+2.17$~dB; phase preservation adds $+1.03$~dB. A novel spatial shuffling ablation ($-1.26$~dB penalty) demonstrates phase encodes location-dependent structure. We conduct a preliminary extensibility study on a second dense prediction task (ISIC skin lesion segmentation), with full cross-validation as ongoing work. This work advances principled wavelet-deep learning integration, showing how phase information complements scattering's stability-expressiveness trade-off in pixel-level prediction.
Authors: Alfredo Pesoli, Herman Errico, Lorenzo Cavallaro
Abstract: Recent demonstrations of large language models producing candidate and confirmed vulnerabilities in production software have renewed the narrative that AI will reshape offensive and defensive security. Headlines emphasize capability; they rarely interrogate costs and incentives. This paper examines LLM-driven vulnerability discovery through a bugonomics lens: the operational economics of producing, proving, prioritizing, and fixing security-relevant defects. Historically, the most visible high-end bugonomics was offense-priced because production-grade zero-days and exploit chains were expensive specialist outputs for governments, brokers, and offensive vendors. Defender-side bugonomics already existed in vulnerability research, reward programs, and vendor remediation work; LLM-assisted systems change its scale and distribution. They make candidate generation, code comprehension, harness construction, proof-of-impact drafting, and report preparation cheaper at codebase scale. Exploits and proofs of concept remain important, but in defender workflows they primarily prove impact, guide prioritization, and justify remediation. The resulting bottleneck is not only finding more bugs; it is absorbing, validating, triaging, patching, and shipping a larger stream of reports. Using public data from Anthropic's Mythos Preview and Mozilla Firefox collaborations, along with public exploit-market price anchors and vulnerability reward programs, we argue that the near-term shift is not simply more zero-days. It is a move toward broader defender remediation throughput: low-signal candidates become cheaper, evidence-rich remediation become more important, and scarce capacity shifts toward maintainer review and release work. The effect is acute in open source, where LLM-assisted discovery can increase report volume while maintainer-side validation, triage, funding, and release capacity may not scale.
Authors: Bokai Zhu, Qinghui Zhang, Timon Rabczuk
Abstract: We propose a Weak-form Physics-Informed Neural Operator (WINO), a data-free framework that combines the efficiency of neural operators with the geometric flexibility of the $\varphi$-finite element method ($\varphi$-FEM). $\varphi$-FEM is an unfitted method that accommodates geometric variations without body-fitted meshes, where the domain geometry is represented by the level-set function $\varphi$. To impose the boundary conditions, Dirichlet problems adopt the $\varphi$-FEM lifting so only the homogeneous displacement contribution is learned, whereas traction-driven Neumann problems additionally predict the auxiliary fields necessary for the unfitted weak formulation. Parameters are trained by minimizing squared weak-form residuals aligned with $\varphi$-FEM together with squared penalties on the cut-cell auxiliary equations, which removes the need for large paired datasets of converged reference solutions. After training, WINO outputs can seed the nonlinear $\varphi$-FEM solvers as neural operator warm starts (NOWS), which reduce iteration counts relative to traditional cold-started solvers. Numerical benchmarks show that WINO achieves high accuracy below 0.04 across all benchmarks, while reducing total computational time by 50--80\% compared with purely data-driven methods.
Authors: Vyzantinos Repantis, Ameya Gawde, Harshvardhan Singh, Joey Blackwell II
Abstract: Before an LLM agent can use a tool, a retrieval system must decide which candidate tools to show to the agent. How long should that shortlist be? Show too many tools and the model struggles to choose. Show too few and the correct tool may not appear. Most systems apply a fixed shortlist size to every query, but no standard metric exists to evaluate whether that size was appropriate. We treat the number of tools shown to an LLM agent as the object of evaluation and we apply Bits-over-Random (BoR), a chance-corrected metric that asks whether success at a given depth is better than what random selection would achieve at that same depth. We evaluate BoR across three tool-selection benchmarks, multiple scorers, and registries ranging from 20 to 3,251 tools. We then turn the same principle into a reinforcement learning (RL) reward for choosing tool shortlist depth per query. The RL agent is deliberately simple, serving as a probe of the metric rather than a proposed system. As the shortlist grows, random chance of including the correct tool rises, so the reward naturally decreases, reducing the need for an engineered depth penalty. On BFCL (370 tools), the learned policy nearly matches the coverage of showing 50 tools ($90.3\%$ vs $90.8\%$) while presenting only 7 on average. On ToolBench (3,251 tools), a fixed shortlist of 5 tools achieves higher aggregate coverage ($64.7\%$ vs $61.9\%$) but finds nothing on hard queries (correct tool ranked 6th-20th). The BoR agent finds $16.7\%$ on those same queries by searching deeper. Downstream validation with Claude Sonnet 4.6 indicates that shorter adaptive lists also improve the LLM's ability to select the right tool: $93.1\%$ versus $87.1\%$ when always shown 5 tools, widening to $76.8\%$ vs $60.9\%$ on medium-difficulty queries where the correct tool is present but not ranked first.
Authors: Hao Guo, Simon Dennis, Rivaan Patil, Kevin Shabahang
Abstract: Mean cross-entropy is the standard validation metric for language models, but it can fail to track model quality during training. We examine this in two common scenarios. First, in Qwen2.5-1.5B SFT on synthetic fact-learning, we find that mean CE rises substantially after the initial learning phase while held-out fact-recall accuracy remains near its peak. Second, we find that in top-K distillation on TinyStories, decreasing K improves median CE while worsening mean CE; the Top-5 student attains the highest LLM-judge score and crosses below its teacher on median CE, despite having the worst mean CE. In both cases, median CE correlates much more closely with task performance than does mean CE. Analyzing how bulk and tail percentile CE move during training reveals that training reshapes the empirical per-token CE distribution. In top-K distillation, smaller K yields a distribution with more mass at both extremes, decreasing the median and increasing the mean. In Qwen SFT, the bulk saturates quickly while the tail extends in the latter half of training. In both, the task-evaluation metric appears more sensitive to the bulk than to the tail. Practically, we recommend reporting a small set of percentile CE summaries alongside the mean, and using concordance among them as a tool to keep track of distribution reshaping, as well as a low-cost diagnostic for when mean and median CE disagree on model selection.
Authors: Sam Rosen, Jason Xu
Abstract: We generalize finite-sample bounds for convex clustering to the setting where affinity weights appearing in the objective correspond to a general connected graph. These bounds and their analysis lead to a better understanding of clustering behavior under various implied connectivity structures behind the data and to new rates of convergence for centroid recovery. The new theoretical framework is based on random walks, which allow application of concentration inequalities related to random graph models, and formalizes the relationship between the clustering performance and the connectivity of the graph structures. Through the form of the bound and empirical results, we argue proper tuning of hyperparameters to convex clustering problems should also include tuning of input affinity weights.
Authors: Aysu Aylin Kaplan, \"Ozg\"ur Erkent
Abstract: The motion planning problem for robotic manipulation can be addressed through classical or deep learning approaches. Existing methods face significant challenges in generalizing to diverse settings. In this study, we present a method with high generalization capability that generates collision-free trajectories using diffusion models where the denoising process is guided by the gradient of the total collision cost. We are also presenting a dynamic approach for choosing start step of the gradient guidance. Experimental results demonstrate that guiding the diffusion model dynamically with the sum of collision costs offers more robust performance by overcoming the generalization issues faced by competing methods. The proposed model demonstrates its effectiveness by achieving the highest performance on diverse test settings in M$\pi$nets\ dataset among the compared methods.
Authors: Michel A. Youssef
Abstract: Streaming network intrusion detection systems must process flows continuously while keeping memory bounded, but most current methods leave alerting threshold selection as a post-hoc tuning problem poorly suited to production. Operators need alerting behaviour specifiable before deployment using inputs such as false-negative cost, false-positive cost, and alerting budget. This paper presents CALIBURN, a five-component streaming alerting pipeline composed of a truncated Bayesian online change-point detector, an isotonic calibration layer mapping the change-point posterior to an empirical conditional attack probability, a cost-sensitive decision threshold derived from operator-specified misclassification costs, a Conformal Risk Control wrapper that converts an alert-budget specification into a within-window valid threshold under exchangeability, and a multi-window burn-rate alerting layer adapted from Site Reliability Engineering practice. Rather than claiming uniform dominance, we present CALIBURN as a regime-sensitivity study, evaluating the pipeline across three attack-prevalence regimes: LITNET-2020 at 5.2 percent, CICIDS2017 at 22.06 percent, and UNSW-NB15 at 64 percent. In the rare-attack regime, CALIBURN achieves AUC-PR 0.943 on LITNET-2020, outperforming the best streaming baseline by 2.21x and the best batch reference by 4.12x; isotonic calibration reduces Brier score by 30 percent. In the moderate-prevalence regime, CALIBURN remains the strongest streaming method on CICIDS2017 but is exceeded by batch density methods. In the high-prevalence regime, all streaming methods approach the prevalence floor. We further identify two distinct CRC-collapse mechanisms driving the alert rule to degeneracy at small alpha, treating both as operational guidance for practitioners.
Authors: Roberto Cruz, David Rey-Blanco
Abstract: Most reported gains on agentic-LLM clinical benchmarks are often attributed to prompt engineering, yet our results suggest that larger improvements can come from architectural and engine-level design. We present MDIA, a Multi-agent Diagnostic Intelligence Agent implemented as a 7-node specialty-routed clinical reasoning graph, on the full HealthBench Professional benchmark (n = 525), on a non-fine-tuned LLM. MDIA achieves 0.6272 under OpenAI's GPT-5.4-2026-03-05, which is +3.72 pp above the performance of OpenAI's ChatGPT for Clinicians. The experimental work shows that performance lift is attributable to system architecture: specialty routing, multi-turn context preservation, drug-state safety gating, site-filtered search, length-aware synthesis, and engine-level reliability. These findings support the view that agentic clinical benchmark performance is shaped both by the underlying foundation model and the orchestration architecture. Nevertheless, we also noticed notable differences when using other models as a grader; in particular, when using Gemini 2.5 Pro, MDIA scored 0.6585, which suggests that the choice of grader is a source of variability. Robust evaluation of LLMs would therefore require assessment across several independent grader models.
Authors: Shankar Vallinayagam, Ankit Pensia, Varun Jog
Abstract: We study the sample complexity of robust binary hypothesis testing under three standard contamination models: $\varepsilon$-additive (Huber), $\varepsilon$-subtractive, and $\varepsilon$-total variation (TV), denoted by $n^*_{\mathrm{Hub}}(\varepsilon)$, $n^*_{\mathrm{Sub}}(\varepsilon)$, and $n^*_{\mathrm{TV}}(\varepsilon)$, respectively. For subtractive contamination, we show that least favourable distributions exist and provide explicit formulas for the same, bringing this model in line with the classical Huber and TV models. Next we show that in all three models, sample complexity may be highly unstable in the contamination parameter $\varepsilon$, increasing by polynomial factors even for $o(\varepsilon)$ perturbations. Similarly, there may be polynomial factor gaps between the sample complexities when $\varepsilon$ is known exactly versus when it is known up to $o(\varepsilon)$ error. Despite the instability of the sample complexity in all models, we show that the sample complexities across models are comparable up to constant-factor rescaling of $\varepsilon$. Specifically, for any fixed $\delta_0>0$, the following hold for all distributions $p$ and $q$: (i) $n^*_{\mathrm{Hub}}(\varepsilon) \lesssim n^*_{\mathrm{TV}}(\varepsilon) \lesssim n^*_{\mathrm{Hub}}(2\varepsilon)$, (ii) $n^*_{\mathrm{Sub}}(\varepsilon) \lesssim n^*_{\mathrm{TV}}(\varepsilon) \lesssim n^*_{\mathrm{Sub}}((2+\delta_0)\varepsilon)$, and (iii) $n^*_{\mathrm{Sub}}(\varepsilon) \lesssim n^*_{\mathrm{Hub}}(\varepsilon) \lesssim n^*_{\mathrm{Sub}}((1+\delta_0)\varepsilon)$, and the scaling constants are tight. Finally, we extend our results to adaptive versions of the contamination models.
Authors: Zhaoxin Yan, Jason T. L. Wang, Haimin Wang, Harim Lee, Ju Jing, Yan Xu, Chunhui Xu, Vasyl Yurchyshyn
Abstract: Understanding and forecasting the geoeffectiveness of a coronal mass ejection (CME) is crucial for protecting infrastructure in the near-Earth space environment and on Earth. In this study, we present a novel fusion model to forecast the geoeffectiveness of CME events. Our model combines convolutional neural networks for feature learning and a prediction network for feature fusion and event classification. The model is trained by observations from instruments including the Large Angle Spectroscopic Coronagraph (LASCO) on board the Solar and Heliospheric Observatory (SOHO) and the Atmospheric Imaging Assembly (AIA) and Helioseismic and Magnetic Imager (HMI) on board the Solar Dynamics Observatory (SDO). The trained model is then used to predict whether an Earth-reaching CME will cause a geomagnetic storm and/or the probability that the CME will cause such a storm. Experimental results based on a five-fold cross validation scheme demonstrate the good performance of our fusion model, achieving a mean true skill statistic (TSS) score of 0.703 when the model is used as a deterministic prediction tool, and a mean Brier score of 0.095 when the model is used as a probabilistic forecasting tool, where a TSS score of 1 or a Brier score of 0 indicates perfect performance. This work contributes to forecasting the causal relationship between Earth-directed CMEs and geomagnetic storms in solar-terrestrial interactions.
Authors: Rei Higuchi, Ryotaro Kawata, Akifumi Wachi, Shokichi Takakura, Kohei Miyaguchi, Taiji Suzuki
Abstract: Reward modeling is not only a prediction problem: in KL-regularized policy optimization, the learned reward is exponentiated to define the deployed policy, so downstream value depends on errors in reward-tilted regions. We study this feedback in a Gaussian single-index model with $r^*(x) = \sigma^*(\langle \theta^*, x\rangle)$ and $x \sim N(0, I_d)$. We analyze a two-stage neural reward model that first learns the hidden direction $\theta^*$ from reward-weighted samples and then fits the readout layer by weighted ridge regression. Exponential reward weighting changes the Hermite signal available to the first layer; for any feature-learning temperature $\beta_1$ above a dimension-free $O(1)$ threshold, a constant fraction of neurons recover the hidden direction, with weak-recovery complexity governed by the generative exponent. After feature recovery, we derive tilted-policy value-gap bounds for an idealized label-weighted fit with weights $e^{y/\beta_2}$ and a more practical surrogate-weighted fit with weights $e^{r_{a_0}(x)/\beta_2}$. Keeping the $\beta_2$-dependence explicit yields an admissible set of deployment temperatures, balancing the gain from lowering $\beta_2$ against the learning cost amplified by exponential weighting; in the surrogate-weighted case, proxy-dependent factors shrink this admissible set.
Authors: Ismail Lamaakal
Abstract: Neural network weights are increasingly a bottleneck for deployment, yet most compression pipelines treat layers independently and overlook cross-layer redundancy induced by function-preserving symmetries. We propose Motion-Compensated Weight Compression (MCWC), a weight-only codec that aligns permutation-symmetric blocks (e.g., hidden units and attention heads) to maximize cross-layer correspondence, turning depth into a predictable sequence. In the aligned coordinate system, MCWC uses a lightweight layer-sequential predictor with periodic keyframes and encodes only quantized prediction residuals using a learned entropy model trained under a rate distortion objective. A simple decoder reconstructs deployable weights by entropy decoding, dequantization, predictor-driven reconstruction, and inverse alignment, enabling fast weight materialization for inference. Across Transformer language modeling and vision classification, MCWC improves the rate accuracy Pareto frontier over strong quantization and learned weight-codec baselines, while maintaining competitive decode time. Ablations confirm that alignment, prediction, entropy modeling, and keyframe scheduling are each necessary for the full gains. Our code is available via https://github.com/Ism-ail11/MCWC.
Authors: Matilda Gaddi, Jin Noh, Onat Gungor, Tajana Rosing
Abstract: Large language models (LLMs) are increasingly applied to cybersecurity question answering (QA) for critical tasks such as incident response and vulnerability analysis. However, real-world operational contexts, including system logs and network configurations, inherently contain sensitive identifiers, e.g., IP addresses, host names, and user accounts. Processing this data with cloud-based models is often unsafe or infeasible in regulated environments. Furthermore, progress in privacy-preserving QA is hindered by the lack of annotated, context-rich datasets capable of jointly evaluating operational reasoning and privacy preservation. To address this gap, we introduce CYBERMASKQA, a privacy-aware QA benchmark covering key security domains. Unlike existing benchmarks that primarily test factual knowledge, CYBERMASKQA grounds questions in realistic organizational contexts with explicit causal dependencies among assets and privileges. Generated through a systematic pipeline, the dataset combines human-curated base scenarios with LLM-driven semantic expansion, annotating each instance with precise private entity labels to enable controlled information disclosure. Evaluations of QA accuracy and masking performance demonstrate the benchmark's utility for developing deployable, context-aware cybersecurity models and facilitating nuanced studies of privacy-utility trade-offs. Upon acceptance, we will release the dataset and the generation framework.
Authors: Bruce Changlong Xu, Jose James, Alexander Ryu
Abstract: Classical noisy-label theory predicts that downstream performance under weak supervision is bounded above by the labeler's accuracy, implying a sharp crossover: once a gold-trained classifier matches the labeler, weak labels stop helping and start hurting. The prediction is theoretical; what is missing is a benchmark calibration that turns it into an instance-level statement for modern foundation-model labelers. We provide such a calibration for BiomedCLIP-generated weak labels on three medical-imaging benchmarks (PCAM, ISIC, NIH-CXR) and six downstream architectures spanning an 11x parameter range. The crossover predicted by theory appears at ng~100 on PCAM, 20-50 on ISIC, and 250-500 on NIH-CXR; weak labels above the crossover degrade AUC by up to -0.10. The location is architecture-invariant for four of five pretrained architectures, and a within-family DenseNet sweep (2.5x parameters, identical pretraining) supports the view that the labeler, not the student, is the dominant constraint. The calibration in turn produces a decision rule operable from 10-20 gold labels: compare gold-only AUC to VLM accuracy on the user's gold set. A structured-vs-random noise sign flip on NIH-CXR shows that the rate-only formulation of the bound is incomplete and identifies a concrete refinement (label-space projection) that future benchmarks can be designed to test.
Authors: Siddhartha Ganguly, George Rapakoulias, Panagiotis Tsiotras
Abstract: We study stochastic density control between Gaussian-mixture endpoint distributions under Brownian prior dynamics. Since the direct Schr\"odinger bridge between Gaussian mixtures is generally not available in closed form, we introduce a lifted path-space construction in which each trajectory is augmented with a source--target component label. Consequently, the problem decomposes into Gaussian component-to-component Schr\"odinger bridges with explicit marginal, drift, and cost formulas, while the mixture-level assignment reduces to a finite-dimensional entropic coupling problem with a Sinkhorn scaling form. We then analyze the projection obtained by discarding or forgetting the label. By construction, the projected law satisfies the original Gaussian-mixture endpoint constraints, but its relative entropy generally differs from the lifted relative entropy by a nonnegative conditional label-information gap. This gap reveals a path-space obstruction: the lifted optimizer cannot, in general, be identified with the direct unlabeled Schr\"odinger bridge after projection. We also derive the posterior-averaged Markov drift associated with the projected marginal flow, prove a kinetic-energy upper bound, and identify a common path-potential condition under which the projection gap vanishes. Several numerical illustrations showing density and shape control are recorded for a self-contained exposition.
Authors: Bo Lv, Zhiheng Xu, KeDong Xiu, Ruyi Ding, Tianhang Zheng, Zhibo Wang, Kui Ren
Abstract: Mixture-of-Experts (MoE) architectures have become an increasingly important paradigm for scaling Large Language Models (LLMs). As MoE models are increasingly deployed in real-world services, safety auditing becomes necessary to verify whether these models produce or facilitate harmful behaviors during operation. However, existing content-based auditing methods typically require access to user prompts, model inputs, or generated outputs, potentially exposing sensitive user information and creating a fundamental tension between LLM safety and user privacy. On the other hand, we observe that, in MoE models, sparse expert routing maps different inputs to activate different expert-execution patterns, producing measurable footprints in low-level GPU execution telemetry. Inspired by this observation, we propose RouteScan, a non-intrusive auditing framework for detecting harmful behaviors through GPU-level expert routing telemetry. Specifically, RouteScan utilizes the number of active GPU threads allocated to expert modules during the prefilling phase as a discriminative micro-architectural fingerprint, and builds a lightweight detection pipeline that isolates cross-domain invariant risk indicators for the precise identification of malicious prompts. Comprehensive evaluations on open-source MoE LLMs with distinct routing designs demonstrate that RouteScan achieves strong generalization, with an AUROC exceeding 0.93 on unseen harmful domains and 0.96 under novel jailbreak wrappers. Moreover, empirical inversion tests show that the collected expert routing telemetry provides limited information for prompt reconstruction, suggesting a practical privacy advantage over content-based auditing methods.
Authors: Johnny Tian-Zheng Wei, Jerry Li, Ameya Godbole, Robin Jia
Abstract: The literature on test set contamination largely focuses on detection, but the correction of contaminated test scores is underexplored. Our core proposal is to spike the training data by intentionally contaminating some test examples at known rates. The spiked examples can then be used to calibrate predictors of model memorization which enable principled statistical correction of inflated test scores. To evaluate different correction estimators, we first present a simulation framework based on the Hubble models. Hubble models come in minimal pairs, where the perturbed model was deliberately contaminated with several test sets, while the standard model was not, serving as the counterfactual and correction target. We consider estimators that use information from a memorization predictor, correctness predictor, or both. In simulation, we establish basic statistical intuitions and show that estimators leveraging memorization and correctness information are better than naive estimation which makes no correction at all. We then instantiate several memorization and correctness predictors, and find that simple predictors such as Platt-scaled membership inference metrics provide good signal for correction. Finally, we examine the practical considerations of spiking. Simple memorization predictors need no more than 10 examples for calibration and often transfer from one dataset to another. Taken together, spiking is a promising solution for test set contamination.
Authors: Tianyi Wang, Tianyi Zeng, Zimo Zeng, Feiyang Zhang, Yujin Wang, Xiangyu Li, Yiming Xu, Sikai Chen, Junfeng Jiao, Christian Claudel, Xinbo Chen
Abstract: Advanced driver assistance systems (ADAS) play an important role in modern automotive intelligence, significantly enhancing vehicle safety and stability. The performance of ADAS critically relies on accurate and reliable vehicle state estimation, particularly from vehicle dynamic sensors. Among these signals, wheel load is a key variable for chassis control and safety-critical functions, yet it remains difficult to estimate robustly due to complex suspension geometry, nonlinear dynamics, and measurement noise. To address this issue, we propose DBPnet, a Bayesian physics-informed neural network (PINN) with a physics-aware embedding module inspired by damper characteristics. First, this paper presents a suspension linkage-level modeling (SLLM) approach that constructs a nonlinear instantaneous dynamic model by explicitly considering the complex geometric structure of the suspension. Building upon SLLM, Bayesian inference is integrated into the PINN to effectively cope with noise and uncertainty in the vehicle chassis system, thereby improving the model's robustness. Then, a physics-informed loss function is employed to ensure consistency with fundamental physical principles, while the damper characteristics-inspired embedding module extracts temporal variation features of input signals and incorporates them into each layer of the PINN, ensuring that physical observations guide the neural network without being constrained by fixed physical models. Extensive evaluations on high-fidelity simulations and real-world experiments demonstrate that our DBPnet consistently achieves lower RMSE and MaxError than baseline methods. These results highlight the potential of our DBPnet to advance wheel load estimation and contribute to the development of more reliable ADAS actuator functions.
Authors: Qirun Dai, Xiao Liu, Jiawei Zhang, Dylan Zhang, Hao Peng, Chenhao Tan
Abstract: Despite the importance of causal reasoning, training LLMs to reason causally remains underexplored. Existing data efforts mostly focus on benchmarking LLMs on specific aspects of causality, making them less suitable for training generalizable causal reasoners. To address this, we propose UniCo, a data generation framework that both (1) addresses 18 causal query types across Pearl's Causal Ladder and (2) translates natively symbolic examples into code and natural language forms to simulate real-world use cases where causal terms are not explicitly specified. To ensure data quality, UniCo grounds answers with exact causal inference and filters cases with reasoning shortcuts. Upon supervised finetuning with 66.6K UniCo-generated instances, Qwen3-4B, Qwen3-8B and Olmo-3-7B-Instruct achieve an average of 22.9% improvements across all 18 in-distribution query types, and 8.1% over state-of-the-art causal data generation frameworks on 7 established causal benchmarks outside the training distribution. More importantly, in real-world medical understanding, legal decision, and tabular reasoning, UniCo-trained models consistently display more faithful reasoning traces, outperforming the base models by an average of 20.2% in faithfulness metrics. These suggest that causality-centered training not only strengthens causal reasoning, but also equips LLMs with a causal mindset in general reasoning tasks.
Authors: Shan Zhong, George Biros
Abstract: We introduce a novel neural operator architecture designed to approximate solutions of linear elliptic partial differential equations with high-contrast, spatially varying coefficients. The network, termed the Iterated V-shaped Net (IV-Net), realizes a mapping from the input coefficients and righthand side to the corresponding solution field. The architecture of IV-Net is informed by, and closely resembles, a V-cycle multigrid solver. The IV-Net model is parameterized via convolutional layers defined in the physical domain. For coercive problems with highly heterogeneous coefficients, the proposed network exhibits superior performance relative to a proper orthogonal decomposition (POD) approach and several existing neural operator architectures. For low-frequency oscillatory Helmholtz problems with smooth coefficients, its performance is similar to that of a Fourier neural operator. We analyze the approximation error and convergence behavior of IV-Net, its data efficiency, and its dependence on the underlying discretization mesh. Furthermore, we demonstrate the practical effectiveness of the architecture through a series of numerical experiments, including applications to uncertainty quantification, inverse problems, and prediction of quantities of interest.
Authors: Faizan Faisal
Abstract: Reasoning-enabled LLMs perform strongly on medical reasoning benchmarks, but it remains unclear whether these gains transfer to structured clinical documentation; we investigate this question using SOAP note generation from clinical dialogue in a source-aware benchmark spanning OMI Health, ACI-Bench, and PriMock57. We evaluate GPT-5.4, DeepSeek-V4-Flash, and Gemma-4-E4B in a controlled 2x2 design that independently toggles provider-native reasoning and same-source retrieval-augmented generation (RAG). Outputs are assessed using seven automatic metrics alongside two reference-aware LLM judges. Both evaluation approaches agree that a non-reasoning GPT-5.4 configuration achieves the highest overall quality, while DeepSeek-V4-Flash performs best among reasoning-enabled configurations. Enabling reasoning significantly degrades GPT-5.4 performance across all three datasets, whereas same-source RAG yields smaller, model-dependent improvements. Overall, the findings indicate that stronger reasoning capability should not be assumed to improve fidelity-sensitive SOAP note generation without dedicated, task-specific evaluation.
Authors: Suresh Kumar Amalapuram, Bikraj Shresta, Siva Ram murthy Chebiyam, Bheemarjuna Reddy Tamma, Sumohana S Channappayya
Abstract: Machine learning based malware detectors become obsolete over time due to concept drift in benign and malware applications. Recent methods rely on fully labeled data and use hierarchical contrastive loss (HCL) with active learning to improve robustness against drift by exploiting semantic structure in malware representations. However, obtaining labeled data in the security domain is difficult. Under partially labeled settings, HCL suffers significant performance degradation in detecting unseen malware, especially on datasets such as BODMAS where strong semantic structure may not exist. In this paper, we propose SEED, a semantic-structure-agnostic method for malware detection under limited supervision. SEED combines a tailored binary cross-entropy objective with semi-supervised continual learning and active learning. For partially labeled seen tasks, unlabeled samples are projected into a representation space constructed from previously seen data using singular value decomposition, and paired with suitable labeled samples to encourage representation consistency. For unseen tasks with fully unlabeled data, uncertainty is quantified using cosine distance in representation space, and the most uncertain samples are selected for analyst labeling. We evaluate SEED on both Windows and Android malware datasets. Using only 20% labeled data on seen tasks, SEED achieves average AUT improvements of 40% on BODMAS and 14% on AndroZoo for unseen malware detection compared to HCL* (the semi-supervised adaptation of HCL), while remaining competitive on APIGraph. Finally, we introduce a delayed buffer update strategy to reduce label noise propagation during replay and improve learning stability.
Authors: Ali Noshad, Zishan Zheng, Yinjun Wu
Abstract: To reduce LLM costs and latency, semantic caching systems must accurately identify when a new prompt matches a cached one. Current methods often rely on simplistic similarity measures, which limit their effectiveness. We introduce MVR-cache, a novel semantic caching approach that significantly improves retrieval accuracy by integrating Multi-Vector Retrieval (MVR). MVR-cache is built upon a learnable segmentation model that intelligently splits prompts, enabling fine-grained similarity comparisons via MaxSim. We derive the model's training objective from a rigorous theoretical analysis. This can ensure that optimizing this objective directly maximizes cache hits under strict correctness constraints. To solve the resulting non-differentiable combinatorial optimization problem, we leverage a reinforcement learning-based training strategy with the theoretically grounded objectives as the reward. Experimental results on established benchmarks across diverse tasks confirm that in comparison to the state-of-the-art, MVR-cache consistently increases the cache hit rates by up to 37% while maintaining the same correctness guarantees. MVR-cache is available at https://github.com/PKU-SDS-lab/MVR-Cache
Authors: Mohammadreza Ahmadypour, Tara Javidi, Farinaz Koushanfar
Abstract: We revisit the classical problem of estimating an unknown distribution from its samples by fitting a mixture model that minimizes cross-entropy loss. Framing the task as a stochastic convex optimization problem over the space of $ M $-component mixture distributions, we propose a family of estimators derived from the stochastic mirror descent (SMD) algorithm. This optimization-based approach provides a principled and flexible framework that generalizes traditional estimators and proposes a variety of novel estimators through the choice of Bregman divergences. A key advantage of our method is that it scales efficiently with the number of candidate components $ f_i $; that is, one can employ a large set of basis distributions in the mixture model without incurring significant computational overhead. This enables richer approximations and improved estimation accuracy. Moreover, in the case of categorical distribution (discrete outcomes) our estimators do not require a strict lower bound, in other words our framework does not require the precise knowledge of the support of the distribution. We demonstrate that, under mild conditions, the proposed $ \varphi $-SMD estimators achieve near-optimal convergence rates in both Kullback-Leibler (KL) divergence and $ \ell_2 $-norm and offer practical benefits when computation is expensive. Our numerical analysis highlights improved performance guaranties over classical estimators, particularly in terms of sample efficiency and scalability.
Authors: Zhi (Leo), Wang, Botao He, Kelin Yu, Seungjae Lee, Ruohan Gao, Furong Huang, Yiannis Aloimonos
Abstract: Human egocentric video captures rich manipulation demonstrations without any robot hardware, yet transferring these skills to robots remains challenging due to the embodiment gap between human and robot in both visual appearance and kinematics. We present HumanEgo, a framework that bridges the embodiment gap by lifting each human demonstration to an entity-level representation of hand-object interaction, and training a flow matching policy with dense auxiliary objectives that amplify supervision from every trajectory. HumanEgo is robot-data-free, hardware-agnostic, data-efficient, and zero-shot human-to-robot transferable. With only 30 minutes of human videos per task, HumanEgo achieves 92.5% average success across four real-world tasks (75% with just 15 minutes), outperforms matched-time robot teleoperation by 41%, and robustly transfers zero-shot across novel robots, cameras, and environments.
Authors: Mahavir Dabas, Jihyun Jeong, Ming Jin, Ruoxi Jia
Abstract: Modern LLM agents combine long-term memory for personalization with tool-calling interfaces for taking actions in the world -- a combination underpinning contemporary production systems. We study a previously unexamined failure of this combination: when personality-driven biases stored in memory (cost-consciousness, impatience, risk tolerance, etc.) silently affect tool calls in contexts where they are not applicable. We call this memory-induced tool-drift and operationalize it through MEMDRIFT, a benchmark of 105 scenarios spanning five bias dimensions and seven professional domains, generated through an automated adversarial pipeline. Across seven frontier models -- including those with extended reasoning -- biased memories raise deflection scores (a judge-scored measure of parameter deviation from unbiased baselines) by up to $+3.6$ points on a 1--5 scale. Tool-drift persists when memory management is handled by three production memory architectures. The phenomenon affects real-world tools: scanning 6{,}062 tools across 288 verified MCP servers, we flag 608 with susceptible parameters and confirm tool-drift on a validated subset. Mechanistically, biased memories act as implicit steering vectors, pushing activations along the same latent directions as explicit behavioral instructions. They also redistribute attention from task-relevant context toward memory entries with surface-level keyword overlap to the target parameter. Standard defenses -- prompt-based relevance instructions and memory filters -- reduce drift but do not eliminate it. As agents take increasingly consequential actions on a user's behalf, memory-induced tool-drift represents a systematic vulnerability that current safeguards do not address, motivating dedicated defenses at the intersection of memory management and tool-call generation.
Authors: Muhammad Naveed Riaz, Maciej Wielgosz, Antonio M. L\'opez Pe\~na
Abstract: We present ARCANE-PedSynth, an open-source CARLA-based software framework for generating synthetic multi-pedestrian datasets with dense behavioural annotations for pedestrian crossing prediction in autonomous driving. The framework overcomes CARLA's native 9% crossing rate through a hybrid AI-manual pedestrian control architecture, enabling configurable target rates up to 75%. A 12-state behavioural finite state machine with five character archetypes produces diverse crossing behaviours. The framework generates synchronised RGB, LiDAR, and DVS data with per-frame crossing labels, behavioural states, and estimated 2D pose keypoints. We demonstrate ARCANE-PedSynth through PedSynth++, an example dataset generated with the framework, comprising 533 multi-pedestrian clips across 12 weather conditions with RGB, LiDAR, and DVS streams. ARCANE-PedSynth is fully reproducible via CLI parameterisation and Docker containerisation.
Authors: Yuanzhi Xu, Qian Gao, Jun Fan, Guohui Ding, Zhenyu Yang, Sixue Lin, Yuteng Xiao
Abstract: The generation of factually incorrect objects, commonly known as object hallucination, remains a persistent challenge in Large Vision-Language Models (LVLMs). Current approaches to address this issue - ranging from expensive data-driven fine-tuning and high-latency contrastive decoding to rigid attention head truncation - frequently compromise either computational efficiency or the continuity of the model's feature space. To overcome these limitations, we introduce a novel, training-free inference strategy that operates as a region-aware adaptive weighting mechanism to dynamically correct semantic drift without relying on abrupt heuristic truncations. By computing an outlier-resistant statistical midpoint across various attention heads, we establish a stable anchor for reliable visual representations. We then utilize the inter-head disagreement mapped across regions to dynamically determine intervention budgets, gently suppressing hallucination-inducing attention paths through a continuous penalty modulation. This recalibration process effectively rectifies visual-semantic misalignments while fully preserving generative fluency and language priors. Comprehensive evaluations on standard multimodal benchmarks, including CHAIR, POPE, and MME, reveal that our strategy substantially curtails both instance- and sentence-level hallucinations. The results demonstrate state-of-the-art performance against contemporary baselines, confirming our method's efficiency and algorithmic robustness. Our code will be public.
Authors: Jingyi Sun, Qianli Wang, Pepa Atanasova, Nils Feldhus, Isabelle Augenstein
Abstract: Chain-of-Thought (CoT) faithfulness, i.e., whether CoTs genuinely reflect large language models' (LLM) underlying behavior, is typically evaluated under two disjoint paradigms: contextual faithfulness, measured by perturbing the input or CoT trace, and parametric faithfulness, assessed by intervening on a model's parametric knowledge. Yet prior work compares them only descriptively. We fill this gap by proposing FaithMate, a unified preference-alignment interface for optimizing models towards either faithfulness paradigm. It enables us to investigate the interplay between the two paradigms, examining whether and to what extent faithfulness gains generalize within and across paradigms. Across three models, two datasets, and six faithfulness metrics, we find that the two paradigms are positively coupled, yet asymmetric: optimizing towards parametric faithfulness yields consistent gains across both paradigms, whereas the contextual counterpart delivers more variable gains. Within the contextual paradigm, faithfulness gains on one metric do not consistently transfer to others, implying that existing contextual metrics capture disjoint facets of faithfulness and exposing inherent trade-offs. These findings imply that CoT faithfulness is not a monolithic objective and therefore requires multifaceted optimization and evaluation.
Authors: Ibrahim Delibasoglu
Abstract: The rapid evolution of generative models has enabled the creation of hyper-realistic facial deepfakes, exposing a critical vulnerability in modern digital forensics: the inability of detectors to generalize to unseen manipulation techniques. Traditional networks suffer from representation collapse, overfitting to localized artifact fingerprints of specific training generators. This work investigates whether modern Vision Foundation Models can serve as generalizable, out-of-the-box feature extractors capable of tracking forensic anomalies across entirely unseen generative manifolds. We conduct a systematic cross-domain evaluation comparing three foundational learning paradigms: fully supervised macro-semantic features (RoPE-ViT), pure self-supervised geometric features (DINOv3), and multi-teacher agglomerative representations (NVIDIA C-RADIOv4-H). By deploying frozen backbones subjected to downstream linear probing, we map the performance limitations of these architectures on the challenging DF40 benchmark. Our empirical findings expose the intrinsic trade-offs between pre-training paradigms and parameter scale, proving that while foundation models retain high discriminative capabilities for entire face synthesis, localized face editing techniques expose fundamental boundaries in linear probe evaluation structures. Source code and model weights are available in http://github.com/mribrahim/deepfake
Authors: Gianluca Sabatini, Chenhao Li, Marco Hutter
Abstract: Proximal Policy Optimization (PPO) has become the de facto standard for training legged robots, thanks to its robustness and scalability in massively parallel simulation environments like IsaacLab. However, its on-policy nature makes it inherently sample-inefficient, preventing its use for continuous adaptation and fine-tuning on real hardware. Soft Actor-Critic (SAC), by contrast, is an off-policy algorithm that can reuse past experience, making it a natural candidate for sim-to-real transfer workflows where the same algorithm can be used both in simulation and for online learning on the real robot. Despite these advantages, SAC has consistently failed to match PPO's empirical performance in massively parallel training settings. This work identifies the root causes of this gap and introduces targeted modifications, covering policy initialization, timeout-aware critic targets, and multi-step return estimation, that enable SAC to train stably at scale. Evaluated across multiple legged robot platforms and diverse locomotion tasks, our approach closes the performance gap with PPO entirely.
Authors: Yavuz Durmazkeser, Patrik Okanovic, Andreas Kirsch, Torsten Hoefler, Nezihe Merve G\"urel
Abstract: Choosing a Large Language Model (LLM) for a given task requires comparing many strong candidates, yet standard evaluation relies on costly annotations over fixed evaluation sets. To address this challenge, we develop SELECT-LLM, the first framework for active model selection of LLMs. SELECT-LLM aims to find a small set of queries whose annotations are most informative for identifying the best LLM for a given task. To this end, we introduce a query selection rule based on expected information gain, computed from pairwise similarities between candidate model outputs. Because this rule only uses generated model responses, SELECT-LLM can be applied across candidate models without assumptions about their architecture or access to model weights. This makes it suitable for both open-weight and black-box LLMs. We evaluate SELECT-LLM across 23 datasets, 156 evaluated models, diverse task families, and multiple text evaluation metrics. Across all experiments, SELECT-LLM improves over the strongest baseline in every setting, with annotation cost reductions up to 81.8% for best model selection and up to 84.78% for near-best model selection.
Authors: Xiaotian Zhang, Ali Albazroun, Tixian Wang, Songyuan Cui, Prashant G. Mehta, Mattia Gazzola
Abstract: Limbless terrestrial animals exhibit exceptional locomotor versatility and control, currently unmatched by engineered counterparts. Here, we introduce a computational framework that enables soft synthetic snakes to navigate unstructured, heterogeneous 3D terrains. Our approach is grounded in bio-inspired actuation and sensing models that reduce the control complexity inherent to high-degree-of-freedom, continuum bodies. These models are integrated into a reinforcement learning architecture to derive environment-traversing policies. Training first occurs in simplified, homogeneous terrains to learn locomotion primitives. These are then composed into adaptive strategies for complex landscapes. We demonstrate robustness by deploying a snake in high-fidelity 3D environments reconstructed from real-world imaging, achieving reliable navigation. Overall, this work provides a physically-realistic simulation platform and practical insights for the control of continuum systems in natural terrains.
Authors: Moyu Zhang, Yun Chen, Yujun Jin, Jinxin Hu, Yu Zhang, Xiaoyi Zeng
Abstract: Generative pre-training via discrete diffusion provides dense reconstruction supervision across all feature fields simultaneously, mitigating representation collapse from data sparsity in CTR prediction. However, all existing generative CTR methods share a fundamental limitation: the reconstruction objective assigns equal training weight to every feature field, ignoring the profound heterogeneity of reconstruction difficulty across high-cardinality ID fields, sparse categorical attributes, numerical values, and behavioral sequences. This causes easy fields to dominate training gradients while the hardest but most informative fields remain chronically underfit, a problem we term the generative difficulty imbalance.We propose HeteGenCTR, which resolves this imbalance through per-field learnable difficulty parameters jointly trained with the denoising network. This unified signal drives two coordinated components without additional hyperparameters: a self-balancing loss that automatically reallocates gradient budget toward harder fields with a provably stable equilibrium, and a difficulty-guided attention mechanism that suppresses the influence of already-converged easy fields while amplifying cross-field information flow toward hard fields. Both components share the same learned signal and remain mutually consistent throughout training. Experiments on five CTR benchmarks and a seven-day online A/B test demonstrate consistent, statistically significant improvements over state-of-the-art baselines, with disproportionate gains for cold-start and long-tail users.
Authors: Changling Li, Ying Li
Abstract: Multi-agent reinforcement learning (MARL) has shown wide applicability in collaborative systems such as autonomous driving and smart cities for its ability of learning through interaction. With the recent development of drone networks, researchers have also applied MARL to address the trajectory planning problems. However, the dynamic environment and the limited battery capacity are still challenging for using MARL to achieve efficient collaborative task execution. In this paper, we propose an energy-aware MARL model as an attempt to tackle these challenges, leveraging Deep Q-Networks (DQN) with \emph{individual reward functions} driven by the task execution progress and the remaining battery of drones. We conduct a set of simulation studies for the proposed mode and compare it with the shared reward MARL~\cite{Li2022MARL} to explore the impact of credit assignment in MARL. The results indicate that our proposed model can achieve at least 80\% success rate regardless of the task locations and lengths. Similar to the shared reward mode, the individual reward mode can achieve a better success rate when the task density is high, and it can hit nearly a 100\% success rate when task density gets close to 40\%. The true advantage of our proposed model with individual reward is revealed when scaling up the environment. The comparison to the shared reward MARL shows that the our proposed model is more robust towards the change of the environment size and agent numbers. It can achieve higher success rate with fewer steps due to the clarity of the goal which improves energy efficiency even better.
Authors: Hichem Cheriet, Badra Khellat Kihel, Samira Chouraqui, Bara J. Emran
Abstract: Sampling-based algorithms for robot path planning offer probabilistic completeness and strong empirical convergence properties across environments with diverse obstacle configurations. However, in practice, these methods often require many iterations to obtain high-quality solutions. This paper proposes Convex-Neural RRT*, an enhanced RRT* variant that incorporates neural guidance to predict informative waypoint regions near high-quality paths. Convex candidate regions are extracted from these predictions, enabling the planner to concentrate exploration on geometrically relevant areas while preserving global exploration. The proposed algorithm is evaluated against Neural RRT*, Neural Informed RRT*, classical RRT*, and LTA* across three environment types and 18 benchmark maps. Experimental results show that Convex-Neural RRT* reduces computation time by 30-75% compared to neural-guided variants and up to 88-98% relative to LTA*, while achieving an average path length reduction of approximately 5% compared to classical RRT*, with larger improvements observed in complex environments. The method also maintains an overall success rate above 99% across varying obstacle densities. These findings indicate that convex-guided neural sampling provides an effective balance between computational efficiency and solution quality, supporting its applicability to time-sensitive robotic navigation tasks.
Authors: Festus Kahunla
Abstract: Applied Behavior Analysis (ABA) is a clinical discipline whose documentation, teaching programs and multi-session behavioral logs, is formulaic and high-volume, yet real session data is HIPAA-protected and bound by professional confidentiality rules, blocking the release of a training corpus. We present TRACE (Taxonomy-Referenced ABA Clinical Examples), a 2,999-example synthetic instruction-tuning dataset covering two ABA tasks: teaching-program generation across Discrete Trial Training, Natural Environment Teaching, and Task Analysis; and multi-session behavioral interpretation across twelve trajectory patterns and thirteen target behaviors. Every example is produced by a deterministic taxonomy-driven generator grounded in the canonical ABA literature, and every example carries complete sampling provenance, the exact taxonomy cells that produced it. The dataset is released under CC BY-NC 4.0 for data and MIT for code, with stratified train (2,549), validation (149), test (281), and sanity (20) splits. TRACE is a research artifact and has not been clinically validated.
Authors: Mohamed Boussena, Florence Monville, Jacques Fieschi-Meric, Frederic Vely, Pierre Milpied, Julien Mazieres, Maurice Perol, Eric Vivier, Laurent Greillier, Fabrice Barlesi, Sebastien Benzekry
Abstract: Integrating multimodal datasets in clinical oncology is frequently hindered by high dimensionality and blockwise missingness, where entire data sources are unavailable for specific patient subsets. Standard survival models often struggle with these gaps, leading to biased results or patient exclusion. We introduce Multimodality Stacking with Blockwise missing values (MSB), a late-fusion framework for survival analysis that independently models modality-specific features before aggregating predictions via a cross-validated stacking meta-learner. MSB was validated on the PIONeeR study (n=443 patients, 378 biomarkers across eight heterogeneous sources) to predict progression-free survival in advanced non-small cell lung cancer patients receiving immunotherapy. MSB yielded higher predictive performance (C-index) than baseline algorithms. Improvements varied by baseline strength: linear models showed a 15.9% increase (p<0.001 for the Wilcoxon signed-rank test), random survival forests gained 5.4% (p=0.002), and gradient boosting methods improved by 2.1% (p=0.030). Beyond discrimination, MSB reduced the generalization gap (train-test difference in 5 folds cross-validation repeated 3 times: 0.055 vs 0.380 for linear models). Permutation importance analysis identified routine laboratory markers, clinical features, and PD-L1 expression as primary predictive drivers. Missing block indicators showed negligible importance, suggesting the model learned from biomarker values rather than data availability patterns. MSB provides a statistically validated framework for multimodal survival prediction with blockwise missingness. By enabling systematic biomarker evaluation without requiring complete data, MSB offers a practical tool for predictive modeling in biomedical research, pending external validation. Implementation is available at https://github.com/MohamedBoussena/MSB under Inria license.
Authors: Muhammed Ali Mehmood, Lukas Gonon
Abstract: Neural networks with randomly generated hidden weights (RaNNs) have been extensively studied, both as a standalone learning method and as an initialization for fully trainable deep learning methods. In this work, we study RaNN expressivity for learning solutions to non-linear partial differential equations (PDEs). Despite their widespread use in practical applications, a rigorous theoretical understanding of the approximation properties of RaNNs in this context remains limited. Here, we derive error bounds for RaNN approximations to time-dependent Sobolev functions and obtain a dimension-free approximation rate $\frac{1}{2}$ for sufficiently regular functions. We apply our results to two important classes of non-linear PDEs: Porous Medium Equations and Compressible Navier-Stokes Equations, showing that RaNNs are capable of efficiently approximating solutions to these complex, non-linear PDEs. Our theoretical analysis is supported by numerical experiments, showing that the obtained convergence rates extend beyond the considered setting.
Authors: Esra Yeniaras
Abstract: Quantum machine learning (QML) is moving from research prototypes to deployed cloud services. As QML enters regulated industries, the integrity of the quantum stage becomes a practical concern on two fronts: noisy hardware drifts at the channel level between recalibrations, and an adversary with control over the execution environment can substitute the declared quantum channel with a behaviorally similar but mathematically distinct one. Neither concern is covered by existing QML verification work on pulse-level noise, input drift, input-perturbation robustness, or device identity. We introduce QML-PipeGuard, a contract-based framework addressing both concerns under a single mathematical machinery. It characterizes a QML pipeline at runtime by its behavioral fingerprint, the vector of observable expectation values under a tomographically structured measurement family, and operates in two modes: drift-aware monitoring that absorbs benign calibration changes within a calibrated tolerance, and adversarial detection that catches channel substitution as a violation of an informationally complete observable contract. The framework contributes a pipeline-composition treatment of the encoder-ansatz-measurement channel with a QML-specific threat model (tight frame-bound C=sqrt(3) for the single-qubit Pauli family), a finite-shot sample-complexity bound, and a tolerance decomposition separating adversarial and natural-drift contributions. We validate the framework end-to-end on a two-qubit QSVM pipeline on the IBM Heron r2 processor (ibm_fez), with a sample-complexity validation on a noise-matched simulator. The prescribed measurement budget (about 1.4e4 shots) fits in a single batched job, the sneaky channel is detected with a wide safety margin while evading the weak contract, and the typical hardware drift sits within tolerance.
Authors: Wenjuan Li, Yitao Liu, Runze Chen, Rajkumar Buyya
Abstract: Background: Fine-tuning is central to adapting pre-trained Large Language Models (LLMs) to downstream tasks, but its reliance on training data, parameter updates, and reusable components opens entry points for attackers. Threats have evolved from data poisoning and weight tampering to agent manipulation and interface exploitation, yet existing reviews lack a unified framework spanning the full fine-tuning lifecycle. Objective: This paper presents a systematic survey of LLM fine-tuning security and establishes a lifecycle-based framework for comparing attacks and defenses, complemented by unified empirical evaluation. Methods: We divide attack and defense mechanisms into three phases by intervention timing: pre-tuning, during-tuning, and post-tuning. Within each phase, strategies are reviewed and contrasted to expose their evolution and limitations. Representative methods are then evaluated under a unified model, hardware, and protocol setup, with cross-phase experiments pairing attacks and defenses from different phases. Results: Attack effectiveness is highly model-dependent and non-monotonic with scale: weight-editing attacks effective on earlier models lose impact on modern open-source LLMs; cross-lingual backdoor transfer, reported as near-perfect at larger scales, fails entirely on tested 1B-4B models; and purely benign samples can compromise safety alignment in instruction-tuned models. Single-phase defenses rarely generalize across phases, and defense effectiveness depends jointly on model architecture and alignment state. Conclusion: We identify key open problems (configuration-robust defense, cross-phase defense composition, and embedding-space attacks beyond behavioral assumptions) and propose concrete future research directions.
Authors: Munsik Kim
Abstract: We study the rate-distortion limits of online KV cache compression in autoregressive language models, formulating it as sequential Wyner-Ziv source coding on the filtration induced by the model, with the next-step query as decoder side information. Empirically, across four models spanning two families and $0.5$-$3$B parameters, we find that the next-token distribution's sensitivity to context truncation decays \emph{polynomially} rather than \emph{geometrically}: a power law improves on an exponential fit by an order of magnitude in extrapolation, the fitted exponent is recovered independently from a sink-plus-recent KL measurement, and the decay is verified to be free of positional-encoding artifacts by a position-preserving ablation. Under a corresponding \emph{polynomial truncation-sensitivity} assumption, our main result characterizes the per-token memory requirement of \emph{suffix-only} cache policies: a sliding-window scheme attains distortion $\varepsilon$ with window $w = O(\varepsilon^{-1/\alpha})$, and -- under an additional two-sided Bayes-risk condition -- a converse shows $w = \Omega(\varepsilon^{-1/\alpha})$ is necessary within this policy class, so the scaling is $\Theta(\varepsilon^{-1/\alpha})$ for suffix-only policies. Whether recurrent or propagating cache summaries can beat this scaling is left open. An explicit block-Markov scheme achieves the upper bound; its rate-of-convergence exponent matches the converse under additional forward-decay and regularity hypotheses (not implied by truncation sensitivity alone), and differs by a factor of two otherwise. Empirically, the polynomial law predicts the degradation curves of concrete cache policies: recency-based eviction (sliding, sink-plus-recent) suppresses distortion by roughly two orders of magnitude over random retention at equal budget, with a power-law decay in the budget.
Authors: Hadi Hajieghrary, Benedikt Walter, Chaitanya Shinde, Paul Schmitt, Miguel Hurtado
Abstract: Autonomous driving stacks must pick one trajectory from a multi-modal candidate set; choosing by model confidence ignores safety, traffic-law, and comfort constraints. We present \textsc{RECTOR} (Rule-Enforced Constrained Trajectory Orchestrator), a post-generation reranking layer that scores candidates against a tiered rulebook (Safety~$\succ$~Legal~$\succ$~Road~$\succ$~Comfort) via differentiable proxies and a scene-conditioned applicability mechanism, then selects with a deterministic $\varepsilon$-lexicographic rule that preserves cross-tier priority by construction -- without retraining the predictor. On the Waymo Open Motion Dataset \texttt{validation\_interactive} split (43{,}219 augmented instances, $K{=}6$), under Protocol~B (28-rule proxy catalog, oracle applicability) rule-aware selection cuts Safety+Legal violations from 28.58\% to 20.42\% and Total from 40.32\% to 32.41\% versus confidence-only on the same candidates. A uniform-weight weighted-sum baseline matches binary compliance on this benchmark -- the empirical lift comes from rule-aware ranking, while the lexicographic guarantee is the structural differentiator no weight calibration can replicate. Under adversarial confidence corruption, confidence-only selection fails in 100\% of scenarios while both rule-aware selectors reject the injected mode in $\sim$96\%. All figures are proxy-evaluator results (not a safety certificate), open-loop, 5\,s horizon, U.S.\ rules, validation split.
Authors: Lei Wang, Syuan-Hao Li, Yongsheng Gao, Piotr Koniusz
Abstract: Aligning structured data is a fundamental problem in computer vision and machine learning, underlying tasks such as time series analysis, human action recognition, and visual representation learning. Existing alignment methods, including Dynamic Time Warping (DTW) and its differentiable variants, rely on deterministic similarity measures and are therefore sensitive to heterogeneous and noisy features. In this work, we introduce uncertainty-aware alignment, a probabilistic framework that models pairwise correspondences with heteroscedastic uncertainty and performs structured matching along alignment paths. Our formulation, uncertainty-DTW (uDTW), assigns each correspondence a Normal distribution and parametrizes each alignment path by a Maximum Likelihood Estimate objective consisting of (i) a precision-weighted matching term that suppresses unreliable features, and (ii) a log-variance regularization that prevents degenerate solutions. This yields a probabilistic alignment mechanism that is robust to noise and interpretable, as uncertainty directly reflects the reliability of matches. We further generalize this framework from temporal sequences to tokenized visual representations, enabling structured matching over sets of visual tokens. The learned uncertainty can be interpreted as a reverse-attention: semantically relevant regions exhibit low uncertainty and dominate the alignment, while ambiguous/noisy regions have high uncertainty. This provides a connection between alignment, attention, and uncertainty modeling. We evaluate the proposed framework across diverse domains. The results demonstrate consistent improvements over state-of-the-art methods and show that learned uncertainty correlates with semantic importance. These findings establish uncertainty-aware alignment as a general, robust, and interpretable framework for learning from structured data.
Authors: Jingyi Li, Peng Wu, Chengchun Shi
Abstract: Reinforcement learning algorithms are generally designed to maximize the expected return across a population. However, a policy that is optimal on average may be suboptimal for certain individuals, leading to potential safety concerns. To address this, we first formalize the notion of individual harm from a counterfactual perspective and define harm as the event in which a chosen action results in a strictly worse outcome than a baseline alternative. We then propose a general two-stage procedure for learning policies that maximize the expected return while accounting for individual harm. We further establish the finite-sample properties of the learned policy, derive an upper bound on its sub-optimality gap, and show that the harm rate remains well-controlled. Numerical experiments on both simulated and real-world datasets demonstrate the effectiveness of the proposed approach.
Authors: Xi Ding, Lei Wang, Syuan-Hao Li, Yongsheng Gao
Abstract: Domain adaptation aims to mitigate performance degradation caused by distribution shifts between a labeled source domain and an unlabeled or sparsely labeled target domain. Most existing approaches estimate domain discrepancy either in feature space or in prediction space. However, these single-perspective strategies overlook a critical problem under domain shift: the reliability of the signals used for alignment. In practice, both learned representations and semantic predictions may become unreliable, and treating all target samples equally can lead to misleading alignment and suboptimal transfer. We introduce trust-aware domain adaptation, a principled framework that models domain discrepancy through the reliability of feature and prediction signals. Central to our approach is the Joint Feature-Prediction Discrepancy (JFPD), a unified formulation that jointly captures representation divergence and prediction divergence while weighting their contributions by sample-specific trust. Trust is quantified via two complementary mechanisms: uncertainty-aware trust, derived from prediction entropy to suppress unreliable predictions, and semantic-alignment trust, computed from prototype similarity in feature space to emphasize well-aligned representations. By prioritizing confident and semantically consistent samples while down-weighting noisy or ambiguous ones, JFPD provides a reliability-aware estimate of domain discrepancy. We further integrate JFPD into a training objective that guides adaptation toward trustworthy regions of the target domain. Experiments on standard benchmarks demonstrate that the proposed framework consistently achieves superior adaptation performance and yields discrepancy estimates that correlate with target-domain error. This work addresses, for the first time, the importance of modeling trust in the interaction between features and predictions for domain adaptation.
Authors: Haoqing Wu, Alexa Nawotki, Jochen Garcke
Abstract: Point clouds are a fundamental 3D representation in computer vision, enabling a wide range of perception tasks. However, real-world point clouds often suffer from degradations such as incompleteness, noise, outliers, and irregular density, caused by sensor limitations or occlusions. Recovering clean and detailed shapes from such degraded data is crucial for downstream applications. While existing learning-based methods achieve progress on individual tasks like completion or denoising, they typically rely on global bottleneck features, which lose fine-grained geometry and remain sensitive to varying input quality. We propose a unified 3D restoration network that directly takes point clouds as input and adaptively reconstructs high-quality geometry under diverse degradation scenarios. At the core of our approach is a Pseudo-Query module, implemented within a Transformer backbone, which reformulates geometric translation into two cooperative stages to enhance structural clarity, robustness, and local detail preservation. Extensive experiments on curated benchmarks demonstrate that our approach surpasses state-of-the-art performance in general 3D restoration. It effectively handles complex combinations of completion, deformation, and denoising degradations. With this work, we provide a novel unified, point-only backbone for robust 3D restoration, enabling more versatile 3D perception.
Authors: Dao Tran, Duc Anh Le, Ngoc Luu, Quan Pham, Tung Pham, Hung Bui
Abstract: Test-time scaling improves language model reasoning by spending additional compute to explore multiple solution trajectories. The key challenge is to maximize accuracy while minimizing the total number of generated tokens during reasoning. Recent PRM-guided methods score intermediate prefixes to steer this search, but most are frontier-only: they keep only the current active prefixes and irreversibly prune or resample away the rest using noisy PRM scores. This can cause premature commitment, diversity collapse, and the loss of prefixes that still admit correct continuations. We introduce stochastic backtracking over a persistent pool of historical prefixes, allowing test-time compute to revisit previously generated states instead of only expanding the current frontier. To make this efficient, we propose two complementary mechanisms. Subpool Selection strengthens greedy PRM-guided search by applying Top-N selection within random subpools, giving historical prefixes a chance to bypass over-scored frontier candidates. Power Backtrack Sequential Monte Carlo extends SMC-style resampling to the persistent pool using powered PRM scores and mixture-corrected weights. Across mathematical reasoning benchmarks and model scales, our methods consistently achieve higher accuracy per token count, and the same level of accuracy using only a fraction of the token count in comparison to strong PRM-guided baselines, demonstrating that persistent-pool stochastic backtracking provides a simple and effective way to improve the accuracy-token trade-off in test-time scaling.
Authors: Buxin Su, Jiayao Zhang, Natalie Collina, Yuling Yan, Didong Li, Kyunghyun Cho, Jianqing Fan, Aaron Roth, Weijie Su
Abstract: This article is the rejoinder to ``The ICML 2023 Ranking Experiment: Examining Author Self-Assessment in ML/AI Peer Review,'' to appear in the Journal of the American Statistical Association with discussion. To address the practical and theoretical points raised by the discussants, we organize our response around four core themes: (i) formulating peer review as a statistical estimation problem; (ii) mitigating equity and strategic concerns in the deployment of the Isotonic Mechanism; (iii) incorporating complementary signals such as reviewer rankings and structured metadata; and (iv) exploring a human-centered framework for peer review in the era of generative AI.
Authors: Florian Kalinke, Zolt\'an Szab\'o, Bharath K. Sriperumbudur
Abstract: Kernel Stein discrepancy (KSD) is among the most popular goodness-of-fit (GoF) measures on general domains with a large number of successful deployments. One of the main applications of KSD is in constructing powerful GoF tests. However, tests relying on the classical U-/V-statistic-based KSD estimators have two major drawbacks. (i) Their runtime scales quadratically in the number of samples. (ii) Their asymptotic null distribution is computationally intractable in most cases, typically handled by bootstrapping. While it is known that the Nystr\"om method permits accelerating KSD estimation with no loss of statistical accuracy under mild conditions, to the best of our knowledge, the fundamental question of its impact on bootstrap-based GoF testing is open; resolving this question is the focus of the current paper. In particular, we prove that the key properties of the quadratic-time bootstrapped KSD-based GoF test (asymptotic level and local consistency) are preserved by its Nystr\"om acceleration. We numerically demonstrate the efficiency of the accelerated KSD estimator and bootstrap in the context of GoF testing of spherical and functional data. Our numerical results show that the Nystr\"om-accelerated method performs statistically on-par with the quadratic-time approach, while requiring substantially smaller runtime.
Authors: Eivinas Butkus, Kedar Garz\'on Gupta, Nikolaus Kriegeskorte
Abstract: Spatial and temporal resource constraints are critical for both biological and artificial intelligent systems. Here we define differentiable cost terms for breadth, depth, and time within a recurrent convolutional neural network conceived as a finite subset of an infinite lattice. We optimize these costs jointly with task errors via backpropagation. We set different pressures on breadth, depth, and time, which leads to diverse computational graphs emerging organically through training. We find that all three resources can be traded off against each other to achieve a given level of accuracy. Networks grow in all three dimensions with task complexity and spontaneously take more recurrent steps when inputs are occluded. Surprisingly, time used by the model correlates with human reaction times in an object recognition task. Our framework provides a normative account of how resource constraints shape neural architectures, connecting to questions about brain design in neuroscience, and may help illuminate the diversity of neural solutions found in nature.
Authors: G Manjunath, Juan-Pablo Ortega, Alma van der Merwe
Abstract: Reservoir computing typically relies on large, randomly generated reservoirs, enabling simple, often linear readouts. Over the past two decades, most constructions have exploited the freedom to select the reservoir, constrained primarily by stability conditions based on state contraction or memory capacity. However, these designs are largely independent of the input data and learning objective, resulting in a trial-and-error methodology driven by randomness. In high dimensions, the reservoir acts as a random embedding of the input history, implicitly relying on Johnson--Lindenstrauss--type concentration phenomena to preserve information. In contrast, we develop reservoir design principles from a geometric perspective for inputs generated by deterministic dynamical systems. Rather than relying on random embeddings, we require reservoir state increments to align within a cone around an input-determined vector subspace, and prove that such a cone concentration reduces ridge-regression training error. When the cone angle is small, the variance of reservoir states concentrates in the input-determined subspace, improving conditioning of the empirical second-moment matrix and strengthening alignment between dominant covariance directions and the state-target cross-covariance. For echo state networks, we provide a constructive approach to reservoir design. The reservoir matrix is chosen so that associated Krylov-chain directions remain nearly closed within an input-determined subspace while permitting controlled mixing in its orthogonal complement. We also provide a spectral diagnostic for ridge regression training that identifies when reservoir geometry concentrates predictive information into a few dominant covariance modes and when ``spectral pollution'' inhibits forecasting. Numerical experiments demonstrate consistent performance gains over arbitrary reservoir constructions.
Authors: Alberto D\'iaz-\'Alvarez, Ra\'ul Lara-Cabrera, Fernando Ortega-Requena, V\'ictor Ramos-Osuna
Abstract: Recommender systems generally optimises user engagement, but this approach is dangerous in mental health contexts. When vulnerable users show signs of suicidal ideation, standard algorithms often trap them in echo chambers of harmful content, worsening their psychological state. In response, we introduce RankAid, a re-ranking method that prioritises clinical safety alongside predictive relevance. It works as an add-on layer to existing models: it penalises risky items and boosts therapeutic content depending on the user's current level of vulnerability. We evaluated this approach using the MovieLens 1M dataset, where items were semantically annotated for clinical risk and therapeutic value using large language models. Our simulations show that our algorithm successfully blocks the recommendation of harmful content during crisis peaks, actively reshaping the feed to support emotional de-escalation. Furthermore, this safety intervention only causes a controlled, acceptable drop in standard accuracy metrics like NDCG. By using asymmetric hyperparameters, RankAid also gives system administrators the flexibility to tune the severity of the intervention based on specific clinical guidelines.
Authors: Prashant Shekhar, Caroline Howard
Abstract: Online experiments in ads, recommendation, and member-experience systems are often planned before the dominant interference mechanism is known. A treatment may propagate through budgets, inventory, producer exposure, graph spillovers, or temporal carryover, making the randomization design itself a statistical decision. We formulate this problem as robust design selection over uncertain exposure mechanisms. Given a finite catalog of six implementable designs, the selector compares each design by worst-case planning risk over an ambiguity set. The risk combines exposure bias, assignment-unit variance, minimum detectable effect, contamination or carryover, operational cost, and estimand mismatch. For theoretical justification, the paper develops a geometry-aware guarantee, stating that design bias is bounded by Wasserstein distance to the launch exposure distribution, and this penalty is minimax tight under Lipschitz exposure response. We also prove finite-catalog approximation and a robust selector theorem with excess-risk control, exact recovery under separation, and certified shortlists when the risk surface is flat. Empirically, the same selector gives different recommendations across samples from public datasets. It selects user-randomization on Criteo ads with dimensionless robust risk 1.295, switchbacks on Open Bandit-bts/men with risk 2.105, and cluster-randomization on KuaiRand with risk 2.240. The Open Bandit case stresses known but uneven logging support, with propensities from 0.00006 to 0.594 and a 5.17% IPS effective-sample share. Overall, the paper contributes an interference-aware experiment design framework based on mechanism-robust design decisions, where the output is either a justified design choice or an uncertainty shortlist.
Authors: Hangxuan Li, Renjun Jia, Xuezhang Wu, Yunjie Qian, Zeqi Zheng, Xianling Zhang
Abstract: Effective features are crucial for predictive model performance, but creating them often requires domain expertise, limiting scalability across applications. We define feature engineering as an agentic code generation problem: features are not static data transformations, but executable programs that can be generated, evaluated, and iteratively improved. We present Eureka, an LLM-driven framework with three stages. (1) An Expert Agent, fine-tuned via SFT on domain knowledge, produces structured feature design plans in JSON format. (2) An LLM Feature Factory translates each plan into executable Python code through chain-of-thought reasoning, turning feature hypotheses into runnable programs. (3) A Self-Evolving Alignment Engine uses Reinforcement Learning (GRPO) with dual-channel reward (metric-based utility + semantic alignment) to enhance code quality. By expressing features as programs, the learned generation patterns can transfer across domains. Evaluated on 7 public benchmarks in healthcare, finance, and social domains, Eureka consistently outperforms both traditional AutoFE and LLM-based baselines. We further demonstrate Eureka's effectiveness on cloud GPU resource demand prediction at Alibaba Cloud, where Eureka improves demand fulfillment rate by 16% and lowers computing resource migration rates by 33%.
Authors: Chaoyan Huang, Cheng-Han Huang, Ismail R. Alkhouri, Rongrong Wang
Abstract: Recently, Deep Image Prior (DIP) has demonstrated strong capabilities for solving inverse imaging problems (IIPs) by optimizing a randomly initialized convolutional neural network in a training-data-free regime. However, DIP suffers from overfitting to noisy measurements due to network over-parameterization, making early stopping (ES) essential. The most successful ES method tracks fluctuations in the running variance of the network output to detect overfitting. However, in many applications, these fluctuations may appear prematurely, leading to unstable reconstructions. In this paper, we first show that nearly optimal DIP early stopping can be achieved when two independent noisy copies of the degraded image are available. Motivated by this observation, and since obtaining two fully independent copies is infeasible, we propose an overfitting detection framework based on constructing pseudo self-referenced images, resulting in three IIP-specific algorithms. Our approach is further supported by theoretical results on single-reference validation, pseudo-validation estimation, and the impact of shared noise. Across different IIPs, ranging from natural image restoration to medical image reconstruction, and under varying noise levels and noise types, our methods consistently outperform existing DIP early stopping approaches, all without requiring an accurate estimate of the noise level.
Authors: Samuel B. Hopkins, Stefan Tiegel
Abstract: The $2 \rightarrow q$ norm of a matrix $X \in \mathbb{R}^{n \times d}$ is defined as $\lVert X \rVert_{2 \rightarrow q} = \sup_{\lVert v \rVert_2 = 1} \lVert Xv \rVert_q$. We give polynomial-time multiplicative approximation algorithms for this norm when $q > 2$ (i.e. in the hypercontractive setting). This problem either directly captures or is closely related to long-standing open problems in combinatorial optimization and hardness of approximation (e.g. Small Set Expansion), quantum information (e.g. Best Separable State), and algorithmic statistics. Very little is known about what approximation factors we can achieve for this problem in polynomial time, even though such approximations have significant downstream consequences. Barak, Brand\~{a}o, Harrow, Kelner, Steurer, and Zhou showed that no polynomial-time algorithm can achieve an approximation factor better than $2^{\sqrt{\log n}}$, assuming the Exponential Time Hypothesis (FOCS'12). On the other hand, a simple spectral algorithm gives a $d^{1/4}$-approximation as a baseline. We give, to the best of our knowledge, the first polynomial-time approximation algorithm beating this baseline by polynomial factors. For the important special case of $q = 4$ it achieves a $d^{1/8}$-approximation. All previous algorithms required additional assumptions on $X$, or only surpassed the baseline for small values of $n$. Moreover, we construct sum-of-squares certificates for the $2 \rightarrow q$ norm. This directly implies improved algorithms for robust mean and covariance estimation, robust regression, and clustering, when the data only satisfies a bound on its $q$-th moment.
Authors: Ying Lu, Peng-Fei Zhou, Qi-Xuan Fang, Pan Zhang, Shi-Ju Ran, Gang Su
Abstract: Large language models (LLMs) are dominated by dense linear transformations, whose storage, memory and computational overheads hinder efficient adaptation and deployment while masking the functional impacts of structural simplification. Here we present Tensor Mixture (MixT), a general tensor-structured compression scheme that replaces targeted dense linear layers with natively executable mixtures of tensor operators. Operating directly on generic linear projections instead of model-specific components, MixT is potentially applicable across Transformer-based LLMs and other dense neural mappings. We evaluate MixT on Qwen3-8B and LLaMA2-7B under a unified recovery protocol, identifying a broad compressible regime in which MMLU accuracy is largely preserved before an abrupt transition at model-specific boundaries. This transition coincides with coordinated shifts in output entropy, prediction entropy and inter-layer geometry. At the LLaMA2-7B transition boundary, MixT reduces full-model parameters by 47.5\%, inference FLOPs by 37.1\%, training FLOPs by 52.1\% and peak inference memory by 60.4\%, demonstrating its practical potential for lower-cost LLM compression.
Authors: Keyi Shen, Glen Chou
Abstract: Neural network (NN) dynamics models and control policies achieve strong performance in robotics, but providing sound guarantees under uncertainty remains difficult, especially for closed-loop NN systems. Existing reachability tools provide formal over-approximations, yet are often non-differentiable, overly conservative, or too slow for modern learning and online planning pipelines. To address this, we present a parallelizable, differentiable reachability framework in JAX for continuous- and discrete-time systems with analytical and NN-based dynamics and controllers. Our framework combines Taylor-model flowpipe construction with CROWN-style linear bound propagation through a unified representation that preserves affine dependencies while supporting GPU-batched computation and automatic differentiation. Building on this reachability primitive, we develop (i) a certified training method that encourages reachability-friendly dynamics models and controllers, and (ii) a reachability-aware sampling-based MPC scheme with gradient-based refinement. Experiments on non-prehensile manipulation and quadrotor tasks, including hardware and higher-dimensional evaluations (up to 72D), demonstrate practical online planning while maintaining certified reachable-set over-approximations under bounded uncertainty.
Authors: Jiaxiang Liu, Zhida Feng, Pengyu Zou, Zhenyu Qian, Tianrui Zhu, Jun Xia, Yuehu Dong, Yanzheng Lin, Honglin Xiong, Anqi Chen, Yunpeng Ding, Jinghui Duan, Lin Gao, Chao Han, Tiechao He, Jiakang Hu, Ranjun Hua, Xueming Jiang, Qingli Kong, Yuting Lei, Tianyu Li, Yunlin Liu, Changling Liu, Yaxin Liu, Yi Liu, Xuguang Liu, Xiaolong Ma, Yan Pan, Yiran Ren, Nan Sheng, Yu Sun, Siyang Sun, Yixiang Tu, Yang Wan, Huanai Wang, Siqi Wang, Yang Wu, Youzhi Yang, Xiaowen Yang, Jianwen Yang, Yehua Yang, Quanwen Zhang, Xinmin Zhang, Haoxin Zhang, Xiang Zhang, Jun Zhang, Qian Zhang, Qiao Zhao, Qi Zhou
Abstract: We introduce ERNIE-Image, an open-source text-to-image generation model built upon an 8B single-stream DiT architecture. ERNIE-Image aims to bridge the gap between current open-source models and leading closed-source systems through more effective mining of large-scale pre-training data and improved supervision quality throughout training. During pre-training, we adopt a bottom-up data construction pipeline that combines fine-grained image categorization, rich caption annotation, aesthetic assessment, and hierarchical sampling. This strategy reduces data noise while preserving long-tail concepts and detailed real-world knowledge, providing a stronger foundation for complex generation tasks. In the post-training stage, we use a top-down data construction pipeline for high-demand scenarios, diversify prompt annotations to better match real user inputs, and apply a stabilized DPO strategy to align the model with human aesthetic preferences. We further train ERNIE-Image-Turbo for efficient 8-NFE generation and propose MT-DMD to mitigate capability drift during distillation. To make the model easier to use in practical scenarios, we equip it with a lightweight Prompt Enhancer that expands concise user intents into structured visual descriptions. In addition, we develop ERNIE-Image-Aes, an industrial-grade aesthetic model, together with ERNIE-Image-Aes-1K, a human-annotated benchmark for realistic aesthetic evaluation. Extensive qualitative and quantitative experiments show that ERNIE-Image achieves leading performance among open-source models and approaches top-tier commercial models in instruction following, text rendering, and aesthetic quality. We release the trained models and aesthetic resources to facilitate further academic research and technical progress in the AIGC community.
Authors: Veera Varuni Radhakrishnan, Chinthaka Dinesh, Qurat-ul-Ain Azim
Abstract: Low-dose computed tomography (LDCT) reconstruction faces a critical tradeoff between reconstruction quality and resource requirements. While recent deep learning methods achieve state-of-the-art performance, they typically rely on over 500,000 parameters trained on large-scale datasets exceeding 35,000 scans. This work investigates whether graph-based regularization can provide meaningful noise reduction under strict resource constraints. We propose Deep Graph Laplacian Regularization (Deep GLR), integrating quadratic graph regularization into a Proximal Forward-Backward Splitting optimization framework with three lightweight CNN modules. Evaluated on the LoDoPaB-CT benchmark, Deep GLR achieves 30.70 dB PSNR, representing a 6.33 dB improvement over filtered backprojection, while using only 91,848 parameters trained on 1000 samples (2.8\% of standard training set). Compared to benchmark methods, this represents 5.8 times better parameter efficiency and 30 times better data efficiency per dB improvement. The learned graph bandwidth parameter ($\epsilon$=1.25) converges to interpretable values, suggesting the method captures meaningful image priors rather than overfitting. While a 13 dB gap remains versus state-of-the-art methods, results demonstrate that graph-based regularization provides a favorable efficiency-quality tradeoff for resource-constrained medical imaging scenarios.
Authors: Xiuyuan Cheng, Nan Wu
Abstract: We consider graph diffusion processes constructed from finite i.i.d. samples drawn from an unknown manifold embedded in ambient Euclidean space, where the graph affinity is defined by an ambient Gaussian kernel matrix. We show that the manifold heat semigroup $Q_t = e^{t\Delta}$ can be approximated directly by iterating the graph transition matrix $P$, under only low regularity assumptions on the test function $f$, including the case $f \in L^\infty$. We bound $\| P^n f - Q_t f \|$ in $\infty$-norm, with the operator application to $f$ properly defined, and we recover the classical graph-Laplacian pointwise rate $O(N^{-2/(d+6)})$ up to logarithmic factors, for diffusion times $t $ up to $O(1)$ and longer. The rate holds for in-sample error as well as out-of-sample generalization, where the estimator of $Q_t f$ at a new point is defined via kernel convolution. To handle non-uniform sampling densities on the manifold, we introduce a right-normalization of the graph transition matrix; under the assumption that the sampling density $p$ is $C^3$ and bounded away from zero, the same convergence rates hold. We numerically demonstrate the performance of the proposed estimator on simulated data.
Authors: Nancy Iskander
Abstract: Generating 3D models from face sketches is an active topic of research in Computer Graphics due to its potential to tremendously facilitate the modeling of faces for both professional 3D arists and novices. Motivated by the observation that facial expressions are responsible for significantly altering and shaping the contours in our faces, we combine both expression detection and 3D model generation in our approach. The result is a novel approach to generating 3D models from sketches which relies on three components: Convolutional Neural Networks, a parametric 3D face model (Valley Girl), and Active Snake Contours. For the first time in the literature, CNNs are trained (using our own generated dataset) to detect the expression in the given sketch through detecting the active FACS Action Units. The expression is then duplicated on Valley Girl to obtain a 3D model with a similar expression. Active Snake Contours are then used to find the transforms needed to close the gaps between that model and the given sketch.
Authors: Ziqing Yu, Yuhui Tao, Jiayu Huo, Lei Pan, Zilong Xiao, Juecheng Chen, Xiao Li, Jianxuan Li, You Zhou, Zhixing Li, Cong Wang, Beijian Zhang, Chen Chen, Hongyang Lu, Konstantinos Patlatzoglou, Daniel B. Kramer, Jonathan W. Waks, Yangang Su, Fu Siong Ng, Shuo Wang, Yixiu Liang, Junbo Ge
Abstract: Electrocardiography (ECG) is central to cardiovascular care, but conventional AI models are often restricted to common arrhythmias and may generalize poorly across populations or clinically subtle diseases. We developed ECG Contrastive Language-Image Pre-training (ECGCLIP), a signal-language contrastive learning framework that aligns ECG waveforms with expert diagnostic reports. ECGCLIP was pre-trained on 2,837,962 ECG studies from 1,324,856 patients and evaluated on a held-out internal test set plus nine independent external cohorts comprising about 1.5 million ECGs. Evaluation covered 89 downstream tasks, including 45 ECG diagnoses, 39 echocardiographic targets, and 5 rare cardiac diseases, using PRAUC as the primary metric. ECGCLIP consistently improved performance over random initialization and Merl-R18 baselines. On the internal test set, ECGCLIP-R34 achieved strong performance for atrial fibrillation (PRAUC 0.900) and ST-segment elevation myocardial infarction (PRAUC 0.383), with robust generalization across all external cohorts. It also improved low-prevalence and diagnostically elusive diseases, including Ebstein anomaly, constrictive pericarditis, dextrocardia, and cardiac amyloidosis, with internal PRAUC values of 0.253, 0.175, 0.121, and 0.201, respectively. ECGCLIP was data efficient, matching or exceeding full-dataset baseline performance with only 10% of training data. Feature visualization and saliency analysis suggested clinically meaningful representations aligned with established electrocardiographic criteria. These findings indicate that large-scale ECG-report contrastive pre-training can expand routine ECG interpretation beyond common arrhythmias toward broad cardiovascular assessment and opportunistic screening of echocardiographic and rare conditions.
Authors: Nil Ayday, Mahalakshmi Sabanayagam, Debarghya Ghoshdastidar
Abstract: Graph Neural Networks (GNN) are currently the most popular approach for learning and prediction on graph-structured data and are deployed in various fields, from social network analysis to drug discovery. However, there is limited mathematical understanding of the performance of GNNs. We discuss the various perspectives used to study statistical generalisation in GNNs. We identify three broad frameworks. The first approach, rooted in learning theory, relies on uniform convergence bounds and the complexity of the hypothesis class of specific GNN architectures. This approach also builds on the expressivity of GNNs, typically studied through the lens of graph isomorphism tests. The second principle is to simplify the neural architecture by analysing GNNs under the asymptotics of infinitely many parameters or infinite graph size. This approach approximates GNNs using Gaussian processes, neural tangent kernels or graphon neural network operators, which allow studying the generalisation or stability of trained GNNs. The third framework studies GNNs under random graph models, often the contextual stochastic block model, and derives non-asymptotic error rates using tools from high-dimensional statistics. We highlight some key theoretical results and discuss a few limitations and open research questions for each perspective.
Authors: Mengda Li, Zeng Li, Jianfeng Yao
Abstract: Removing noise is difficult, but adding noise is easy. In this work, we show how to eliminate mean-shift noisy components from PCA by deliberately introducing knockoff mean-shift perturbation. Standard PCA is highly sensitive to shifts in the sample mean: a small fraction of samples from a shifted distribution can cause large deviations in the leading principal components. In high-dimensional regimes, existing Robust PCA approaches cannot handle the mean-shift contamination structure inherent in the mixture model. Using tools from Random Matrix Theory, we prove that the mean-shift spikes are spectrally separable from the stable eigenvalues of the original covariance. Furthermore, the original eigenspace remains asymptotically invariant to the contamination, independent of the mixture weight. Exploiting this spectral stability, we propose a simple, two-stage PCA algorithm by adding knockoff mean that identifies and removes the mean-shift component using only standard PCA operations.
Authors: Xifeng Zhang, Jin Zhao
Abstract: Reconstructing PDE solutions from sparse observations is a core challenge in scientific computing. We present FM4PDE, a flow-matching generative framework that learns the joint distribution of PDE coefficients (or initial states) and solutions (or final states), enabling both forward simulation and inverse recovery with limited paired data. At inference, sampling is guided by a composite loss that enforces agreement with sparse measurements and reduces the PDE residual; we support deterministic, stochastic, and hybrid samplers. We provide error guarantees for these guided procedures. For the deterministic optimizer, a coercivity condition ensures trajectory boundedness and a phase-wise contraction yields logarithmic complexity in the target accuracy. For the stochastic sampler, we introduce adaptive guidance and assume dissipativity of the velocity field to obtain uniform moment bounds independent of the noise-floor parameter. This leads to polynomial-time error bounds, and a matching lower bound shows constant guidance induces an unavoidable positive bias, motivating adaptivity. A hybrid deterministic-stochastic analysis is also provided. Experiments on static and time-dependent benchmark PDEs demonstrate competitive accuracy and faster inference than diffusion-based generative models.
Authors: Hideitsu Hino, Keisuke Yano
Abstract: We study the geometry of determinantal point processes (DPPs) through the spectral decomposition $L=U\Lambda U^{\top}$. The spectrum $\Lambda$ governs the cardinality distribution via elementary symmetric polynomials, while the eigenspace orientation $U$ governs the conditional law within each fixed-cardinality stratum. Conditioning on cardinality $k$ yields the $k$-DPP, for which the identifiability structure changes fundamentally: the spectral parameter becomes identifiable only up to a common scale, and the eigenspace rotation parameter is identifiable only through squared minors of the eigenvector matrix. We characterize the identifiability gap precisely, via three explicit invariances (scale, sign similarity, and eigenspace rotation) and a dimension-counting theorem showing the existence of additional continuous non-identifiability whenever $\binom{N}{k}
Authors: Loukas Ilias, Dimitris Askounis
Abstract: Alzheimer's disease (AD) is a progressive neurodegenerative disorder and the leading cause of dementia, affecting memory, reasoning, communication, and daily functioning. Early diagnosis is particularly important, as timely intervention may help slow cognitive decline and improve patient care. Recent studies have demonstrated that spontaneous speech contains valuable linguistic and acoustic biomarkers associated with dementia. However, existing approaches often rely on independently trained modality-specific models, feature concatenation strategies, ensemble methods, or attention-based fusion mechanisms that do not explicitly maximize the dependency between speech and transcript representations. In this work, we propose a multimodal deep learning framework for automatic dementia detection that jointly exploits speech and transcript information in an end-to-end trainable manner. Specifically, speech recordings are divided into 10-second segments and passed through a pre-trained HuBERT model to extract contextualized acoustic representations. To better capture informative temporal speech characteristics, attentive statistics pooling is employed to aggregate frame-level acoustic embeddings. For the textual modality, transcripts are encoded using a pre-trained BERT model, where the [CLS] token representation is used as the linguistic embedding. The acoustic and textual representations are subsequently combined using an attention-based Audio-Text Fusion (AT-Fusion) mechanism. In addition, we introduce a MINE objective to maximize the mutual information between modalities and improve multimodal representation alignment. The fused multimodal representation is finally used for dementia classification. Experiments conducted on the publicly available ADReSS Challenge and PROCESS-2 dataset demonstrate the effectiveness and robustness of the proposed approach for speech-based dementia assessment.
Authors: Xinyuan Yan, Rita Sevastjanova, Mennatallah El-Assady, Bei Wang
Abstract: Neural networks encode inputs as high-dimensional vectors, known as representations, that capture how models process data by encoding task-relevant structure and semantics. Representation alignment refers to the degree to which different models, layers, or training conditions produce similar representations for the same inputs, with important implications for model interpretation, selection, and robustness analysis. Existing approaches to measure alignment primarily rely on geometric properties, such as neighborhood and cluster similarity, offering limited insight into the global organization of representations. In this work, we present TopoAlign, a topology-aware framework for visually comparing model representations from a structural perspective. Leveraging mapper graphs from topological data analysis, TopoAlign jointly analyzes graphs constructed from representations of shared inputs across different models or layers. The framework supports a top-down comparative workflow: it first performs global structure alignment via joint force-directed optimization to produce coordinated graph layouts; it then identifies local correspondences through automated detection of structurally matching regions, visualized with Bubble Sets; and finally it enables fine-grained pattern inspection through motif-based queries and membrane-inspired visualizations. We demonstrate TopoAlign through case studies on language and multimodal models, complemented by expert feedback. Our results show that TopoAlign provides meaningful insights into representation structure and alignment from a topological perspective.
Authors: Bo Zou, Chao Xu
Abstract: High-quality expert chain-of-thought (CoT) data is one of the core bottlenecks in large language model (LLM) post-training. Existing data production methods each have structural limitations: crowdsourced annotation lacks deep reasoning paths; expert solo writing is constrained by the "expert blind spot" -- experts structurally skip reasoning steps they consider obvious; RLHF only produces preference signals rather than reasoning chains. This paper proposes the BC Protocol -- a structured dual-expert elicitation method for LLM post-training data production. The method carefully pairs a domain expert (crystallized intelligence) with a knowledge engineer (fluid intelligence), systematically externalizing the expert's implicit judgments as natural language reasoning chains. We introduce the Participant Aptitude Model, which defines six participant characteristic dimensions that affect elicitation quality. "Calibrated Ignorance" is an original concept proposed in this paper. We further propose "Selection-over-Prescription" as a methodological principle: for implicit knowledge elicitation tasks, investing quality-control resources in personnel selection yields a higher return than investing the same resources in process design. In a controlled experiment in the narrative fiction domain, we directly compared CoT produced by BC Protocol dual dialogue (Group A, (n=20)) against CoT written independently by the same domain expert (Group B, (n=20)). Three cross-vendor judge models -- GPT-4o, Claude Opus 4.5, and Gemini 2.5 Pro -- conducted blind evaluation across five dimensions (600 ratings total). Results show that the BC Protocol achieves an overwhelming advantage in "naturalness of reasoning process" (Group A mean 4.80 vs. Group B mean 1.30, (p=2.4\times10^{-8}), Cliff's (\delta=1.0)).
Authors: Divit Rawal
Abstract: We study denoising score matching (DSM) when the latent distribution is supported on a smooth embedded manifold $M \subset \mathbb{R}^D$. Under ambient Gaussian corruption, the tangent denoising target contains a singular normal-fiber noise channel whose variance diverges as $d/\sigma^2$ as $\sigma \to 0^+$. We show that conditioning on the nearest-point projection $\pi(X)$ canonically removes this singularity: the resulting conditional expectation is the unique $L^2$-optimal Rao-Blackwellized predictor of the tangent DSM target among all estimators depending only on the projected observation $\pi(X)$. We then compute the small-noise expansion of this canonical target and show that it equals the intrinsic Riemannian score up to an explicit order-$\sigma^2$ correction that decomposes into an intrinsic Tweedie term and an extrinsic curvature term involving the Weingarten and Ricci operators. In the flat case, the construction reduces exactly to ordinary lower-dimensional Gaussian DSM, while on $S^d$ the extrinsic correction simplifies to the scalar factor $(1-d/2)\nabla_M \log q$; this extrinsic $\sigma^2$ correction cancels identically on $S^2$, though the intrinsic Tweedie term remains.
Authors: Joongkyu Lee, Min-hwan Oh
Abstract: We study nonstationary generalized linear bandits (GLBs), where the expected reward is modeled through a nonlinear link function with an unknown time-varying parameter. This framework encompasses a broad class of reward models, including linear, Bernoulli, and binomial rewards. Existing approaches are predominantly based on maximum-likelihood estimation (MLE), using sliding-window, restart, or discounting mechanisms to handle nonstationarity. Although these methods achieve statistically efficient regret guarantees, they generally require revisiting past observations at every round, which leads to computation and memory costs that grow with time; moreover, several of them rely on a non-convex projection step. In this paper, we propose DOMD-GLB, a new algorithm for nonstationary GLBs that utilizes discounted online mirror descent (DOMD) for parameter estimation, thereby incurring only $O(1)$ computation and memory costs per round. We prove dynamic regret bounds of order $\tilde{O} \big(c_\mu^{-1/2} d^{3/4} P_T^{1/4} T^{3/4}\big)$ in drifting environments and $\tilde{O}\big(c_\mu^{-1/3} d^{2/3} \Gamma_T^{1/3} T^{2/3}\big) $in piecewise-stationary environments, where $d$ denotes the feature dimension, $T$ the time horizon, $P_T$ the path length, $\Gamma_T$ the number of change points, and $c_\mu$ a curvature parameter associated with the link function, while substantially improving computational efficiency over prior work. To the best of our knowledge, this is the first algorithm for nonstationary GLBs with per-round computation and memory costs independent of time.
Authors: Joongkyu Lee, Min-hwan Oh
Abstract: We study optimal experimental design for multinomial logit (MNL) bandits, where an agent repeatedly selects a subset of $K$ items from a ground set of size $N$ and observes single-choice feedback. Unlike linear or generalized linear bandits, MNL bandits have a combinatorial action space, which makes classical optimal design approaches and naive optimization over all subsets computationally intractable. We propose a computationally efficient optimal design framework for MNL models that achieves both statistical efficiency and scalability through two complementary approaches: (i) an exact or certified-approximate reformulation of the design oracle as a $0$-$1$ mixed-integer linear program (MILP) with solver-certified early stopping, and (ii) a fully polynomial-time lifted design that replaces the nonlinear objective with a tractable surrogate. Using the Kiefer-Wolfowitz equivalence theorem, we establish near G-optimality guarantees and characterize the induced statistical-computational trade-offs. As an application, we develop a best assortment identification algorithm for MNL bandits with linear utilities and non-uniform revenues, and prove an instance-dependent sample complexity of $\tilde{O}\big(\frac{d \log N}{\Delta^2}\big)$, where $d$ is the feature dimension, $N$ is the number of arms, and $\Delta$ is the minimum revenue gap.
Authors: Guochao Jiang, Jingyi Song, Guofeng Quan, Chuzhan Hao, Guohua Liu, Yuewei Zhang
Abstract: Reinforcement Learning has become a standard paradigm for aligning Large Language Models with human intent and task requirements. While Group Relative Policy Optimization offers an efficient, value-model-free alternative to Proximal Policy Optimization, adapting it to real-world multi-reward settings remains challenging. Standard scalarization practices, such as Reward Combination and Advantage Combination, suffer from significant drawbacks: Reward Combination frequently generates advantages with excessively large squared magnitudes that lead to training instability, while Advantage Combination relies on static hyperparameters and ignores cross-objective correlations. To address these limitations, we propose Dynamic Variance-adaptive Advantage Optimization (DVAO), which dynamically adjusts combination weights based on the empirical reward variance of each objective within a rollout group, effectively up-weighting objectives with a stronger learning signal while suppressing noisy ones. We mathematically prove that DVAO maintains bounded advantage magnitudes for stable training and introduces a self-adaptive cross-objective regularization mechanism. Extensive experiments on mathematical reasoning and tool-use benchmarks using Qwen3 and Qwen2.5 models demonstrate that DVAO significantly outperforms baseline methods, achieving a superior multi-objective Pareto frontier and robust training stability.
Authors: Yuanming Zhang, Yayun Liang, Zhibin Lin, Jing Lu
Abstract: In the past decade, numerous studies have applied deep neural networks (DNNs) to decode auditory attention (AAD) from Electroencephalogram (EEG) signals via stimulus reconstruction. However, the influence of dataset balance on the decoding performance of stimulus reconstruction-based AAD remains unexplored. In this study, three publicly available EEG-AAD datasets - KUL, DTU, and NJU cEEGrid - are used to construct both balanced and unbalanced experimental conditions. We hypothesize and demonstrate that stimulus reconstruction-based DNN decoders tend to produce overestimated decoding performance on unbalanced datasets. To address this issue, we propose a leave-one-paired-envelope-out (LOPEO) cross-validation protocol. Experimental results confirm that LOPEO effectively prevents inflated decoding accuracy on unbalanced datasets. While balanced datasets are generally preferred in experimental design, LOPEO provides a principled evaluation framework for unbalanced datasets that have already been published, filling an important gap in the field.
Authors: Shuo Huang, Lorenzo Fiorito, Lorenzo Rosasco, Tomaso Poggio
Abstract: The ability of deep neural networks to learn hierarchical features is widely regarded as a key mechanism underlying their success in high-dimensional learning. Existing theory partially supports this view by establishing approximation rates based on parameter counts and sample complexity guarantees for compositional models without incurring the curse of dimensionality (CoD). To study overparameterized regimes, where the number of parameters exceeds the sample size, we develop a framework that measures complexity via the parameter norm. Within this approach, we establish approximation rates and excess risk bounds for learning sparse compositional functions whose compositional structure is represented by directed acyclic graphs (DAGs), using Frobenius norm-constrained deep neural networks. Our results have broad applicability since every function that is efficiently Turing computable admits sparse compositional representations. In particular, we cover a range of representative models, including multi-index models, binary tree structures, and general compositional architectures. The rates we derive show that deep networks can exploit the compositional structure of the target functions, effectively avoiding the CoD through hierarchical representations.
Authors: Bowen Wang, Dunjie Lu, Junli Wang, Tianyi Bai, Shixuan Liu, Zhipeng Zhang, Haiquan Wang, Hao Hu, Tianbao Xie, Shuai Bai, Dayiheng Liu, Que Shen, Junyang Lin, Tao Yu
Abstract: Reinforcement learning with verifiable rewards (RLVR) has driven breakthroughs in domains such as math, tool-use, and software engineering, yet its extension to computer-use agents (CUAs) has been bottlenecked by the scarcity of scalable training data with deterministic rewards. Constructing such data for CUAs requires consistent task instruction, executable environment, and verifiable reward. However, hand-curated benchmarks achieve high reward fidelity but cover few applications and LLM-as-judge-based datasets scale broadly but lack reliable verification. We present CUA-Gym, a scalable pipeline that co-generates task instructions, environment states, and reward functions. Concretely, a Generator agent constructs the initial and golden environment states, and a separate Discriminator agent writes the reward function from the task specification. An orchestrator agent drives the two through iterative rounds upon execution. Generated tuples then pass a final filter combining LLM majority voting and agent rollouts, ensuring quality beyond the per-task adversarial loop. To address the scarcity of training environments, we further synthesize CUA-Gym-Hub, a broad suite of high-fidelity mock web applications grounded in real-world software-use distributions, expanding the scale of CUA RLVR data by magnitude. Using this pipeline, we construct CUA-Gym, a dataset of 32,112 verified RLVR training tuples grounded in 110 environments. Trained with GSPO on CUA-Gym, our CUA-Gym-A3B and CUA-Gym-A17B achieve 62.1% and 72.6% on OSWorld-Verified, outperforming prior open-source CUAs at comparable scales, with performance scaling smoothly in both data volume and environment diversity. The same checkpoints also improve on the held-out WebArena benchmark, indicating transfer beyond the training environments. We will open-source the full synthesis pipeline, dataset, CUA-Gym-Hub environments, and models.
Authors: Khoi Le, Tri Cao, Phong Nguyen, Cong-Duy Nguyen, Anh Tuan Luu, Miao Chunyan, See-Kiong Ng, Thong Nguyen
Abstract: Weak-to-strong (W2S) generalization is a promising framework for scalable oversight, yet existing evaluations often test students under matched train-test distributions. Therefore, we study W2S preference learning under zero-shot distribution shift and find that strong students trained on weak preference labels can appear successful in-distribution while failing to transfer across preference datasets. We provide evidence for a representational failure mode in which weak-supervised fine-tuning can pull the strong model toward source-domain features instead of maintaining broadly transferable preference representations. To mitigate this, we propose Representation Anchoring (Anchor), a simple yet effective regularizer that constrains excessive drift from the pretrained strong model's representation space during fine-tuning, while still allowing task-relevant adaptation. Across preference domains, datasets, and model families, Anchor consistently improves out-of-distribution transfer while maintaining competitive in-distribution performance. Together, our evaluation protocol, transfer-aware metrics, and method expose hidden brittleness in current W2S reward modeling and provide a practical path toward more robust preference transfer.
Authors: Hao-Hsuan Chen
Abstract: Autonomous AI agents increasingly issue side-effect-bearing actions: database mutations, refunds, payments, external commitments. We propose the Actuarial Action Interface (AAI), a deterministic runtime contract that prices each such action against a contractually fixed safe default under a time-consistent risk mapping, and gates execution against a per-boundary reserve capital budget. We then develop the Authority Frontier, an evaluation primitive measuring how much autonomous authority the runtime releases at each level of reserve capital. The framework provides (i) a deterministic quote-bind-commit protocol with toll-bounded capability tokens; (ii) a universal seven-class action taxonomy mapping heterogeneous tool calls to comparable authority units; (iii) replay determinism and pathwise reserve coverage under alpha-spending; (iv) cross-domain normalization via full reserve demand C_full and capital metrics Capital@k. We instantiate AAI across four agentic environments (database mutation, customer-service refund, and the public tau-bench retail and airline tool-use traces) and report a live Postgres panel in which three Azure-hosted models propose actions through the same contract. The frontier exhibits a common low-reserve refusal and intermediate-release pattern across domains, with saturation only where the budget grid reaches full reserve demand; required reserve capital varies by 22x (Capital@50 from 289 to 6457). The framework does not force domains into the same shape; it surfaces each domain's actuarial geometry. In the live panel the contract prevents realized loss across all three models at low budget while differing in underwriting persistence under denial: model identity is an actuarial underwriting variable. The contribution is a benchmark-ready evaluation framework for runtime actuarial control of autonomous-agent side effects.
Authors: Qi He, Huan Chen, Ya Guo, Huijia Zhu, Yi R. Fung, Baojian Zhou
Abstract: Policy loss estimation remains a fundamental and long-standing challenge in reinforcement learning (RL) for diffusion language models (dLLMs). We introduce Reinforcement Learning from Denoising Feedback (RLDF), a novel training paradigm that leverages feedback obtained from rollout and training processes to facilitate accurate and efficient policy loss estimation. To balance the trade-off between computational efficiency and estimation effectiveness, RLDF optimizes the model toward the clipped clean state $\hat{x}_0$ from intermediate noisy states $x_t$, combined with weighted timestep sampling over $t$. Extensive experiments demonstrate that RLDF achieves consistent and substantial improvements in both performance and generalizability across two representative dLLM architectures, LLaDA and Dream, on multiple reasoning benchmarks. Our work lays a principled foundation for scalable reinforcement learning in diffusion language models. We build Drift, a training framework for dLLMs, available at https://github.com/ant-research/Drift.
Authors: Haohan Yu, Zhanxu Hao, Bingzhi Li, Zejia Lu, Xiang Chen, Liang Li
Abstract: Accurate reconstruction of magnetic fields in inaccessible regions is vital for many high-precision experiments in physics. Traditional methods, such as spherical harmonic expansion, often suffer from truncation errors that limit their precision. This study proposes an advanced Physics-Informed Neural Network (PINN) framework for high-precision 3D magnetic field mapping. Unlike conventional data-driven models, the proposed PINN integrates Maxwell's equations directly into the loss function, enforcing divergence-free and curl-free conditions across the entire domain. A key innovation is the inclusion of explicit physics-residual losses at measurement locations, ensuring rigorous physical consistency beyond random collocation sampling. Validation using simulated data achieves a reconstruction accuracy of $10^{-4}$, a tenfold improvement over existing PINN benchmarks. Furthermore, experimental validation using a custom coil assembly demonstrates robust reconstruction with sub-percent relative accuracy, reaching the $10^{-3}$ level under ambient conditions. This AI-driven methodology provides a robust, high-precision solution for field monitoring and measurement in complex experimental environments where direct sensor placement is restricted.
Authors: Yuan-Hao Wei
Abstract: This paper proposes StrTransformer, a source-wise structured Transformer framework for blind source recovery and branch-wise latent modeling. Instead of using an encoder to infer latent variables, StrTransformer directly optimizes the latent source matrix together with an observation-space mixer and source-wise structural Transformer branches. The mixer enforces reconstruction consistency, while each Transformer branch imposes a differentiable structural constraint on one latent source trajectory. Specifically, each source is converted into multi-scale patch tokens, randomly masked, processed by a locality-biased Transformer, and evaluated through a masked patch reconstruction energy. This energy acts as an implicit source-wise structural prior. To encourage different latent branches to specialize into different temporal regimes, StrTransformer further introduces an ordered multi-scale controller that learns branch-specific patch-scale weights, ordered scale centers, and locality attention slopes. The resulting objective combines observation reconstruction, source-wise structural regularization, and modular auxiliary penalties for separation and scale specialization. We analyze the decoupling and coupling structure of the objective, the regularized exact-reconstruction fiber, and the reduction of permutation symmetry induced by ordered branch descriptors. A controlled case study shows that the learned branches converge to distinct temporal-scale structures and recover source-aligned latent trajectories under post-hoc evaluation.
Authors: Steve Hanneke, Qinglin Meng, Shay Moran, Amirreza Shaeiri
Abstract: We study the problem of multiclass PAC learning with bandit feedback in the realizable setting. In this framework, there is an unknown data distribution over an instance space $\mathcal{X}$ and a label space $\mathcal{Y}$, as in classical multiclass PAC learning, but the learner does not observe the labels of the i.i.d. training examples. Instead, in each round, it receives an unlabeled instance, predicts its label, and receives bandit feedback indicating only whether the prediction is correct. Despite this restriction, the goal remains the same as in classical PAC learning. We provide a general characterization of the optimal sample complexity of this problem, sharp for every concept class up to logarithmic factors. Our characterization is based on a new combinatorial dimension, termed the bandit $\mathrm{DS}$ dimension, defined via generalized combinatorial structures we call pseudo-boxes. These extend the pseudo-cubes underlying the $\mathrm{DS}$ dimension by allowing a different number of neighbors in each coordinate. In contrast to the $\mathrm{DS}$ dimension, which governs the full-information setting by counting the number of coordinates in the pseudo-cube, the bandit $\mathrm{DS}$ dimension aggregates the number of neighbors across coordinates, leading to a characterization in which the sample complexity scales with the total number of neighbors. We also propose a general learning algorithm achieving the upper bound, based on an algorithmic principle called ListCascade, which connects bandit learning to list learning and may be of independent interest.
Authors: Peijie Jiang, Yuqi Feng, Cunyin Peng, Qian Zhao, Jia Liu, KunLong Chen, Zhiqiang Zhang, Jun Zhou
Abstract: In contemporary large language models (LLMs), the swish-gated linear unit (SwiGLU) activation function is widely adopted to regulate the information flow and introduce non-linearity. For large positive inputs, SwiGLU approximates the quadratic function $x^2$, providing strong nonlinearity and expressive capacity. However, this property also causes numerical instability as the input or model scale increases, particularly in low-precision LLM training. The main reason is its approximate quadratic amplification, which enlarges the output range and exacerbates outliers. To address this issue, we propose a stable activation function, Power Linear Unit (PowLU), for large-scale LLM pre-training. Specifically, PowLU employs a rational power function to achieve adaptive nonlinearity, thereby improving representation ability and enabling stable training in spike regions. Moreover, we provide theoretical justification for several key properties of PowLU. Scaling law experiments confirm that the performance is consistent across model sizes, and further experimental results with the Ling architecture (7.9B and 124B total parameters) demonstrate that PowLU achieves competitive results against SwiGLU and SwiGLU-Clip in large-scale training of LLMs. In addition, the experimental results also show that PowLU effectively improves the scalability of the large-scale training of LLMs.
Authors: \`Alex Sol\'e, Sergio Su\'arez-Dou, Albert Mosella-Montoro, Silvia G\'omez-Coca, Eliseo Ruiz, Alexandre Tkatchenko, Javier Ruiz-Hidalgo
Abstract: Realistic physical systems are characterised by emergent interactions across multiple length and time scales, posing a significant challenge for predictive machine learning (ML) models. Most scientific ML models focus on a narrow range of interactions. While machine learning force fields (MLFFs) offer near-quantum accuracy, the ubiquitous message-passing layers miss long-range many-body effects. Here we introduce the Multiscale Structural Ensemble (MuSE), a hierarchical model that uses Soft Coarse-Graining Pooling to construct coarse representations from smooth fractional assignments of atoms to coarse nodes, enabling MLFF modules to operate across multiple scales. MuSE is architecture-agnostic and coupled with SO3krates, MACE, and PaiNN MLFFs for both molecules and materials. We demonstrate the power of MuSE through Hessian-based benchmarks, folding trajectories for biomolecules, and energy profiles in molecule-graphene nanostructures, where MuSE accurately captures quantum-mechanical interactions at relevant scales -- unlike other recent long-range ML models.
Authors: Jo\~ao Alves Ribeiro, Bruno Alves Ribeiro, Francisco Pimenta, S\'ergio M. O. Tavares, Faez Ahmed
Abstract: Most of the world's offshore wind resource lies in waters too deep for fixed-bottom foundations, making floating offshore wind turbines (FOWTs) essential for deep-water deployment. As the industry scales toward $22$ MW class designs, tower fatigue becomes increasingly critical because larger structures amplify the coupled aero-hydro-servo-elastic loads induced by continuous wind and wave excitation. Accurate fatigue-damage prediction is therefore central to certification, design optimization, and cost reduction. Yet the field lacks a shared surrogate benchmark: studies report different simulations, splits, and metrics, making methods difficult to compare. We present FLOATBench, a public tabular benchmark with $582{,}120$ per-section fatigue-damage labels across three $22$ MW FOWT tower geometries, derived from $19{,}404$ high-fidelity OpenFAST simulations across the three towers ($6{,}468$ per tower: $1{,}078$ aligned wind/wave operating points $\times$ six turbulence seeds), labeled at $30$ cross-sections per tower. FLOATBench includes a regime-aware alpha-shape partition of the joint wind/wave operating envelope, stratifying test points into in-train, interpolation, and extrapolation regimes. It is paired with a reproducible evaluation harness covering three protocol levels: random validation (E1), within-tower regime-aware evaluation (E2), and cross-tower transfer (E3). The regime-aware protocol reveals rank shifts between global and extrapolation performance that random-split leaderboards cannot detect. To the authors' knowledge, FLOATBench is the first FOWT fatigue benchmark for tabular surrogate modeling, and offers an evaluation protocol that generalizes to engineering surrogates defined over physical operating envelopes. Dataset and code available at: https://github.com/Joao97ribeiro/FLOATBench.
Authors: Chaotian Song, Jingyao Zhang, Chenghao Chen, Zisen Sang, Dehai Zhao, Guodong Cao, Boxi Wu, Deng Cai, Jia Jia
Abstract: In multi-stage recommender systems, reranking optimizes overall utility by capturing intra-list contextual dependencies, yet its central challenge lies in exploring optimal sequences within an exponentially large permutation space. Recent studies have shifted towards end-to-end generative frameworks, which typically leverage list-wise rewards or preference alignment to guide generator training. However, these methods still face two critical issues. First is the heuristic label bias. Existing methods often construct training targets based on simple rules, such as promoting clicked items to the top, while ignoring causal dependencies within the list context. Second is the credit assignment problem. Sparse list-level posterior rewards fail to directly guide intermediate steps in sequence generation, leading to ambiguous optimization directions. To address these issues, we propose DeGRe (Dense-supervised Generative Reranking), a generative reranking framework that bridges the gap between offline exploration and online efficiency through dense supervision. The core of DeGRe lies in its offline-online decoupled design. During the offline phase, we introduce a Lookahead Evaluator based on cumulative regression, which leverages beam search to actively mine high-value lookahead sequences in the unexposed space. During training, we transform the step-wise value estimations from the evaluator into dense supervision signals and distill them into a lightweight Online Generator. This mechanism enables the generator to internalize lookahead planning capabilities, requiring only a single efficient greedy decoding pass during online inference to approximate the global optimum. Experiments demonstrate that DeGRe outperforms baseline models on public benchmarks and industrial datasets. We have successfully deployed DeGRe on Taobao Flash Shopping, significantly improving online recommendations.
Authors: Saemi Moon, Suhyeon Jun, Seoyeon Lee, Dongwoo Kim
Abstract: Concept unlearning aims to erase a target concept from a pretrained text-to-image diffusion model without retraining. Closed-form methods are attractive in this setting because they apply a single deterministic edit to the cross-attention weights and add no inference-time cost. Existing closed-form methods, however, represent the target concept through the text encoder's response to a few short anchor prompts that name it, and paraphrased prompts that evoke the concept without naming it consistently bypass the edit. We argue that the target should instead be represented in the cross-attention activation space. Text embeddings describe the user's prompt, while cross-attention activations describe what the model is about to render, and the latter generalize to paraphrase the anchor templates do not cover. Building on this observation, we propose PURE (Projection in U-Net Rendering for Erasure), a closed-form method that builds the forget and retain bases from per-layer cross-attention activations captured along a short denoising trajectory and applies a single linear projector to the cross-attention key and value weights. On a recent holistic concept-unlearning benchmark covering ten concepts across artistic style, intellectual property, celebrity, and NSFW categories, PURE significantly reduces target leakage under paraphrased and adversarial prompts while preserving retain concepts close to the unedited model, yielding the best overall forget-retain trade-off among evaluated methods.
Authors: Sam Bowyer, Acyr Locatelli, Kris Cao
Abstract: Efficient benchmarking techniques aim to lower the computational cost of evaluating LLMs by predicting full benchmark scores using only a subset of a benchmark's questions. By reframing this problem as an instance of multiple regression with feature selection, we find that existing efficient benchmarking methods can be greatly improved by simply using kernel ridge regression at the prediction stage. Additionally, using an information-theoretic feature-selection algorithm called minimum redundancy maximum relevance (mRMR), we can further improve upon these methods by selecting question subsets that will be maximally useful for prediction. Except in very data-poor settings, these approaches consistently achieve smaller prediction errors (in both MAE and RMSE), and greater ranking correlation between predicted and true scores (in both Spearman $\rho$ and Kendall $\tau$) across a range of benchmarks using both binary and continuous metrics. Furthermore, mRMR subsampling is much faster than competitor methods (which often involve fitting probabilistic models or running clustering algorithms), and is more likely to select the same questions under different random seeds or training data splits. Tutorial code can be found at https://github.com/sambowyer/mrmr_eval .
Authors: Kwangho Kim
Abstract: We study counterfactual distribution learning for high-dimensional outcomes whose counterfactual law may concentrate near lower-dimensional structure. Standard isotropic smoothing treats all ambient directions equally, leading to unfavorable scaling and unstable local inference. We propose two diffusion-guided estimators based on semiparametric debiasing: diffusion-informed smoothing for counterfactual densities and diffusion-informed score smoothing for counterfactual scores. The estimators combine causal nuisance adjustment with geometry-adaptive localization driven by diffusion score information, removing first-order nuisance bias while aligning smoothing with local outcome geometry. We establish asymptotic expansions, risk bounds, and inference procedures for smoothed density and score-based targets, with ambient density inference obtained under additional approximation conditions. Under structural geometry conditions, the leading stochastic error is governed by an effective dimension induced by the diffusion-guided kernel, rather than by the ambient dimension. Semi-synthetic experiments based on CelebA show steeper error decay for geometry-adaptive methods, supporting the proposed effective-dimension theory.
Authors: Munawar Ali, Qi Feng, Charlie Pyle, George Xu
Abstract: We develop a branched signature kernel solver for linear and nonlinear ordinary differential equations driven by a \emph{single observed trajectory} of a possibly rough forcing signal -- a setting that arises naturally in earthquake engineering, finance, biology, and structural health monitoring, where the forcing is observed exactly once and the solver must respect the underlying physical law without recourse to an ensemble of realizations. Two ingredients are new. First, a \emph{count-sampling} construction turns the single observation into a hierarchical family of $N+1$ nested training paths on which the branched signature kernel can be evaluated; this allows the signature kernel machinery, originally designed for multi-realization regression problems, to operate on a single-trajectory observation. Second, a kernel-collocation framework places the ansatz either on the highest-order derivative of the solution (with lower derivatives recovered by integrating the kernel) or on the solution itself (after $m$-fold integration of the ODE). We prove a universal approximation theorem for the branched signature kernel, leveraging the Hairer--Kelly morphism to express branched signature evaluations through geometric signatures of time-extended paths. The offline solver is extended to a streaming Test/Train/Retrain protocol with closed-form online updates in the linear case and scalar Newton steps in the nonlinear case. Numerical experiments on six benchmarks (El-Centro earthquake displacement, the Solow capital-stock model, an fBM-driven second-order ODE, a forced Duffing oscillator, a path-dependent Arias-intensity-degraded oscillator with variable coefficients, and a noisy Kuramoto phase-oscillator system) show that the branched signature-kernel solver delivers accurate, stable predictions across all regimes.
Authors: Joris Baan, Wilker Aziz, Barbara Plank, Raquel Fern\'andez
Abstract: Large language models (LLMs) define a distribution over text, which can be viewed as a probabilistic representation of uncertainty: sampling K responses yields a belief state - responses a model deems plausible. Existing work exploits this representation for narrow tasks like either decoding or selective prediction, and often requires manual interventions, not controlling generation directly. We propose Belief-Augmented Generation (BAG): grounding LLMs in their own belief state via the prompt and letting them reason over these K samples to decide on a conversational strategy: answer, clarify, or abstain. In a multi-turn ambiguous QA setting, we find that LLMs by default rarely clarify or abstain, ignoring uncertainty about the input or facts. BAG improves QA accuracy across six models and yields strategy decisions more faithful to the belief state than prompt-only baselines. Disentangling when to clarify from when to abstain, however, remains challenging.
Authors: Muyu Pan, Shu Zhao, Nan Zhang, Philip Shin, Varun Parekh, Vijaykrishnan Narayanan, Rui Zhang
Abstract: This paper investigates large language model (LLM) abstention learning, specifically using ternary reward, which incentivize truthfulness in large language models. This paper extends that idea by moving from a ternary reward to a Trajectory-Informed advantage reweighting, dynamically re-weights the abstention reward during Group Relative Policy Optimization (GRPO) training. The objective of this work focuses on abstention learning instead of improving truthfulness, serving as an exploration into hallucination reduction. The novelty of this paper lies in methodological innovation, advantage re-weighting, and benchmark selection. Leveraging GRPO's multiple trajectories as a natural abstention signal, this method uses a reward signal to explore knowledge boundaries and encourage consistency. By demonstrating that trajectories can be used as a confidence indicator of the policy relative to the query, they are then used to dynamically calculate the abstention advantage. AbstentionBench is used as the evaluation benchmark, as this work aims to contribute to the field of abstention learning. All datasets on the benchmark were tested against this method and various baselines. Empirical results demonstrate that TIAR achieves state-of-the-art abstention F1 scores across five of six evaluation categories, outperforming the static ternary baseline on 17 of 31 benchmark datasets while fully preserving baseline accuracy.
Authors: Ido Nachum, R\"udiger Urbanke, Thomas Weinberger
Abstract: We study the mean-squared error of $k$-fold cross-validation as a risk estimator, with particular emphasis on how its accuracy depends on the number of folds $k$. Despite the widespread use of cross-validation, principled guidance for choosing $k$ is largely absent, mainly due to the complex dependence between fold-wise error estimates. To obtain sharp and interpretable results, we focus on the majority algorithm in binary classification, a minimal yet nontrivial empirical risk minimization procedure. We provide a fine-grained analysis of its cross-validation behavior, showing that even this simple algorithm exhibits subtle and delicate phenomena for which existing theory provides loose and even vacuous bounds. Leveraging this analysis, we introduce a minimax framework for cross-validation risk estimation and prove that no empirical risk minimization algorithm can achieve an $O(1/n)$ minimax mean-squared error when the number of folds grows with the number of samples $n$; instead, a lower bound of order $\Omega(\sqrt{k}/n)$ is unavoidable. Our results reveal fundamental limitations of cross-validation as a data-reuse strategy, clarify gaps and inaccuracies in prior theoretical work, and position the majority algorithm as a natural benchmark that any tight analysis of cross-validation should be able to explain.
Authors: Christopher Baker, Stephen Hinton, Akashdeep Nijjar, Riccardo Poli, Caterina Cinel, Tom Reed, Stephen Fairclough
Abstract: The speed and accuracy of an artificial teammate fundamentally alter the failure states of Human-AI integration. While high-speed AI interventions risk inducing reflexive blind compliance, delayed interventions can induce ambiguous cognitive conflict. This study investigates how the fundamental characteristics of an in-task AI assistant, Fast/Less-Accurate (FLA-AI) versus Slow/Accurate (SA-AI) impact the synergy of Collaborative Brain-Computer Interface (cBCI) teams in a Virtual Reality drone task. Seventeen operators completed continuous search tasks under high cognitive workload while their spatial covariance was mapped using a 2D Adaptive Riemannian Oracle. The results mathematically demonstrate that AI timing dictates the mechanism of team failure. Fast AI induced instant, blind compliance; human accuracy under deception collapsed to 50.2%, and pure behavioural teams (N=8) failed to scale beyond 74.1%. In contrast, Slow AI induced delayed cognitive conflict; humans hesitated (61.1% accuracy), but N=8 behavioural teams eventually recovered to 100.0%. Crucially, the Riemannian Oracle mathematically adapted to these states: it heavily restricted temporal windows (< 0.8s) to intercept fast reflexive compliance, while widening windows (> 1.2s) to capture delayed cognitive conflict. Integrating these isolated veridical signals via Hybrid Fusion successfully rescued the Fast AI team (+7.6% at N=8) and significantly accelerated the recovery of smaller Slow AI teams (+6.9% at N=4). These findings prove that cBCI synergy is heavily contingent on the temporal dynamics of trust, providing a critical framework for designing dynamically gated Human-AI systems.
Authors: Jianwei Tai
Abstract: Vision-Language-Action (VLA) models are increasingly deployed on real robots, where each predicted action is executed and each failure carries a safety cost. They reach high success rates on clean inputs but collapse under small adversarial perturbations. A $16/255$ PGD attack on OpenVLA-7B drops LIBERO success from above $95\%$ to under $5\%$. Empirical defenses recover some robustness at a cost in clean accuracy, but the literature does not say whether the trade-off has a theoretical floor. We prove that it does. For any VLA policy with discrete actions, the sum of capability (mutual information between policy action and oracle action) and robustness (mutual information preserved under adversarial perturbation, net of trivial channel leakage) is upper-bounded by a policy-independent budget: task entropy plus adversarial channel capacity. The proof is two applications of the Data Processing Inequality plus MI non-negativity. The pixel-level bound is policy-independent but loose ($\sim 10^3$ nats); an encoder-specific corollary tightens it on a per-experiment basis to $\approx 86$--$156$ nats at $\eps=8/255$ on OpenVLA, depending on which defense is in place. We validate the bound across $252$ closed-form Gaussian-VLA cells and $48$ OpenVLA-7B $\times$ LIBERO $\times$ PGD cells (zero violations). The encoder bound additionally diagnoses where a defense intervenes in the channel: input-side defenses (JPEG-50) shift the encoder budget by $+41$ to $+101$ nats across $\eps \in \{2,4,8,16\}/255$ ($+68$ at $\eps=8/255$), while LLM-side defenses (rank-16 LoRA) shift it by $\le 9\%$ at every $\eps$ and only $0.7\%$ at $\eps=8/255$. We propose encoder-specific slack as a diagnostic axis paired with raw $\Rob$ for defense reporting, and release all code, manifests, and results.
Authors: Haiyan Zhao, Zirui He, Guanchu Wang, Ali Payani, Yingcong Li, Mengnan Du
Abstract: Activation verbalization explains hidden representations in natural language, but existing methods are mostly limited to self-explanation, where each model explains only its own activations. We introduce Universal Activation Verbalizer (UAV), a framework that uses a shared decoder to explain activations from heterogeneous donor models. UAV learns a lightweight adapter that converts donor activations into soft tokens in decoder's embedding space, and further supports adapter-only transfer by reusing a frozen decoder-side LoRA while training only a new adapter for another donor. Across classification, fact retrieval, and gist summarization, UAV remains competitive with strong self-explanation baselines while enabling cross-model verbalization across model families and scales. Ablations show that decoder-side tuning mainly improves task behavior, whereas the adapter provides the activation-grounded factual and semantic information needed for faithful explanations.
Authors: Duy Anh Nguyen
Abstract: Recent automated essay scoring (AES) studies increasingly use pretrained transformer models, but these models are usually pretrained on general-domain English and may under-represent second-language learner writing. This study investigates whether domain-adaptive continued pretraining (DAPT) on the EFCAMDAT learner corpus improves transformer-based AES for English proficiency tests. We apply DAPT to three transformer encoders and evaluate them on FCE and IELTS in both in-domain scoring and few-shot cross-dataset transfer. Full-corpus DAPT produces mixed results across models, datasets, and metrics. Further analyses suggest that these mixed effects are partly explained by mismatches in proficiency, genre, and communicative purpose between EFCAMDAT and the downstream datasets. A proficiency-based ablation shows that targeted DAPT using CEFR-aligned subsets improves downstream scoring more reliably than full-corpus DAPT, especially for FCE with B1--B2 data. However, these gains do not consistently improve cross-dataset transfer. Overall, the findings suggest that continued pretraining on a learner-writing corpus can benefit in-domain AES for English assessment when the pretraining data is sufficiently aligned with the downstream assessment settings. However, it does not automatically improve transferability across different English proficiency test datasets.
Authors: Franka Bause, Jonas Niederle, Martin Pawelczyk, Rebekka Burkholz
Abstract: The effectiveness of multi-agent LLM deliberation depends not only on the agents' individual predictions, but also on how they communicate and collaborate. We study this mechanism through the lens of Friedkin-Johnsen (FJ) opinion dynamics, a tractable model for analyzing stubbornness, influence, and opinion change in multi-agent systems that captures empirically observed deliberation patterns. We show that the FJ parameters are input-dependent, turning multi-agent deliberation into a mixture of experts. This perspective implies that multi-agent systems can outperform single agents and static ensembles when routing reflects agent competence. Since competence is latent in practice, we analyze how influence is established through observable proxies: agents' self-assessed confidence, their perceived confidence, and initial alignment with other agents' views.
Authors: David Ko\v{s}\v{t}\'al, Martin Jure\v{c}ek
Abstract: We present a dataset of adversarial malware samples derived from the public RawMal-TF collection of real-world malware binaries. Using a suite of adversarial malware generators, we construct two sets of adversarial PE files: 44,347 family-labelled samples and 33,596 type-labelled samples, achieving evasion rates of 98.35 % and 92.20 % against the EMBER classifier, respectively. Each adversarial binary is accompanied by detailed metadata, including EMBER scores and VirusTotal classifications. We further demonstrate the susceptibility of malware classification pipelines to data poisoning attacks through a series of training experiments. Injecting fully mislabelled adversarial samples representing only 0.5 % of the training data in the family-labelled dataset increases the evasion rate against the re-trained classifier from 26.1 % to 92.8 %. The dataset is publicly released to facilitate future research on adversarial malware, poisoning attacks, and the robustness of machine-learning-based malware detection systems.
Authors: Bo Zou, Chao Xu
Abstract: Large language models (LLMs) face a dual challenge in creative capability evaluation: existing benchmarks (e.g., Story Cloze Test, HellaSwag) measure models' discriminative ability over narrative continuation using multiple-choice recognition paradigms, rather than directly measuring creative generation capability; rubric-based scoring and LLM-as-Judge methods rely on subjective dimension assessment or natural language model outputs, and cannot provide objective, automated scoring mechanisms. This paper proposes QUIET (Quality Understanding via Interlocked Evaluation Testing), a diagnostic benchmark for LLM creative capability based on multi-blank cascaded story cloze. QUIET sets N blanks (10-20) in a story with complete structure, with each blank accompanied by an explicit content constraint, and cascade dependency relationships between blanks -- the content filled into earlier blanks constrains the feasible solution space for later blanks. The evaluated model (or human participants) fills all blanks in open-ended generation mode; the results are scored by an information-theoretic automated scoring protocol without human grading. The scoring protocol directly operationalizes the "calibrated surprise" theoretical framework (Zou & Xu, 2026a). For each blank k, a composite score is computed: score = satisfy * (1 + lambda * surprise), where lambda = 1.0. Here, "satisfy" measures how well the blank filling satisfies the content constraint (objective logical reasoning judgment, not subjective aesthetic scoring), and "surprise" measures the degree of surprise given that the constraint is satisfied. Creative answers that do not satisfy the constraint score zero; answers that satisfy the constraint but are mediocre score low; answers that satisfy the constraint and are surprising score high.
Authors: Bo Zou, Chao Xu
Abstract: This paper provides an empirical implementation of the creative quality metric proposed in Calibrated Surprise (Zou & Xu, 2026a). The question this paper addresses is: does this mathematical claim hold at the engineering level? To make the answer as general as possible, we deliberately choose the strictest engineering conditions: low data cost and a small base model. Training data comes from approximately 100 expert chain-of-thought (CoT) annotations produced by the BC Protocol (Zou & Xu, 2026b). We also identify a data bias: most publicly available alignment datasets are skewed toward craft-related knowledge, while audience modeling and reality-logic coverage are systematically weak. We use the term Creative Quality Alignment (CQA) to describe this class of engineering methods. We also offer a supporting theoretical observation: in an LLM with a single conditional distribution architecture, calibrating the appreciation side automatically transfers to the generation side via architectural duality. This is the structural reason why ~100 CoT examples are sufficient -- not a purely empirical observation like LIMA (Zhou et al., 2023).
Authors: Jose Blanchet, Peter Glynn, Wenhao Yang
Abstract: Stochastic gradient descent (SGD) is a foundational algorithm for large-scale statistical learning and stochastic optimization. However, statistical inference based on SGD iterates remains challenging when stochastic gradients have infinite variance, as the relevant limiting distributions depend on unknown nuisance parameters. In this paper, we develop an efficient, model-agnostic methodology for constructing confidence regions from SGD trajectories that applies in both finite- and infinite-variance regimes. The procedure is based on a joint weak convergence result for the Polyak-Ruppert averaged estimator and an empirical second-moment normalizer constructed from stochastic gradients along the SGD trajectory. This joint limit yields a self-normalized statistic in which the leading tail-dependent scaling terms cancel. We then use a subsampling calibration scheme to estimate the relevant critical values, avoiding explicit estimation of tail indices, slowly varying functions, or stable-law parameters. The resulting confidence regions are straightforward to implement and are asymptotically valid under both the finite- and infinite-second-moment regimes. Simulation studies show reliable coverage in various settings, supporting the proposed method as a practical tool for uncertainty quantification in stochastic optimization.
Authors: Adina Scheinfeld, Haotan Zhang, Shang Mu, Rudolf L. M. van Herten, Lucas Stoffl, Ali Erturk, Zhuhao Wu, Johannes C. Paetzold
Abstract: Light sheet fluorescence microscopy (LSM) enables high-resolution, three-dimensional (3D) imaging of biological specimens, providing rich volumetric data for studying cellular organization, pathology, and vascular networks. However, the size, dimensionality, and annotation burden of LSM data make supervised deep learning approaches costly and difficult to scale. Additionally, despite the abundance of unannotated LSM volumes, foundation models for this modality remain underexplored due to computational challenges and the complexity of volumetric representation learning. In this work, we introduce a 3D foundation model for LSM data, pretrained on a large curated collection of 3D images spanning multiple organisms, stains, and imaging protocols. We learn transferable volumetric representations by jointly optimizing for masked reconstruction and image-text alignment. The pretrained backbone drastically reduces the annotation burden, enabling efficient, few-shot adaptation for varied downstream tasks. We evaluate this approach on downstream segmentation, classification, and deblurring. Our results demonstrate consistent improvements over baselines, (1) when measured using standard evaluation metrics and (2) when rigorously assessed by domain experts. This highlights the potential of foundation model pretraining to reduce annotation requirements while improving performance across diverse LSM analysis tasks. Pretrained model weights and code for pretraining and finetuning are publicly available: https://github.com/AdinaScheinfeld/lsm_fm_public_repo.git.
URLs: https://github.com/AdinaScheinfeld/lsm_fm_public_repo.git.
Authors: Zixin Jessie Chen, Zhuo Chen, Archer Wang, Jeff Gore, William T. Freeman, Congyue Deng, Marin Solja\v{c}i\'c
Abstract: Creating images from noise is image generation; reconstructing fine details from coarse inputs is super-resolution. Despite their practical differences, both can be understood as reversing information loss across scales. We introduce $\textbf{SKILD}$, a $\textbf{S}$cale-invariant $\textbf{K}$-Space $\textbf{I}$mage $\textbf{L}$earning $\textbf{D}$iffusion model that unifies generation and continuous super-resolution within a single unconditional framework. Both natural images and critical physical systems exhibit scale invariance, and we leverage it to design a forward process that attenuates image content from fine to coarse scales while injecting spectrum-matched Gaussian noise, making scale an explicit coordinate of the diffusion dynamics. The same trained reverse process performs generation and continuous super-resolution by varying only the starting timestep: $\textit{no task-specific architecture, no conditioning branch, no classifier-free guidance, no retraining per scale factor}$. Empirically, SKILD reaches FID $2.65$ and Inception Score $9.63$ on unconditional CIFAR-10, performs $2\times$--$8\times$ super-resolution on ImageNet from a single unconditional checkpoint while outperforming conditional models across perceptual metrics, and reconstructs critical Ising models whose connected four-point correlations closely track the ground truth.
Authors: Junyuan Liu, Xinglei Wang, Zichao Zeng, Jiazhuang Feng, Quan Qin, Ilya Ilyankou, Guangsheng Dong, Tao Cheng
Abstract: Urban representation learning encodes complex urban environments into general-purpose embeddings for diverse downstream tasks and emerging urban foundation models. However, current evaluations are limited, typically focusing on one or two cities and tasks and relying on random splits that introduce spatial leakage, leading to inflated performance and weak support for cross-location generalization and fair comparison. To address this, we propose CityRep, a unified benchmark that evaluates urban representations across data modalities, cities, and tasks using spatially structured splits. CityRep consists of three key components: (1) a spatial unit-agnostic evaluation framework that supports heterogeneous urban representations through a standardized alignment module; (2) a unified evaluation protocol using block-based spatial splits to mitigate spatial leakage and enable rigorous model comparison; and (3) an extensible multi-city, multi-task benchmark suite spanning 8 cities and 8 tasks across regression, classification, and distribution prediction. We evaluate 11 representative urban representation models. Results show that performance is highly sensitive to the split protocol, with random splits inflating scores and altering model rankings. We also observe substantial variability across cities and tasks, underscoring the need for generalization-aware evaluation. CityRep is released as a reproducible benchmark with datasets, evaluation pipelines, and diagnostic tools to facilitate fair comparison and support future research in urban representation learning towards urban foundation models.
Authors: Parth Darshan, Abhishek Divekar
Abstract: Customizing an LLM judge to a specific task or domain often involves optimizing its prompt across multiple evaluation criteria simultaneously. Textual gradient methods automate this for a single judge criterion, however they produce natural-language critiques, not numerical vectors. Thus, the conflict-resolution toolkit of multi-task learning (PCGrad, MGDA) doesn't apply to the multi-objective textual gradient setting. We test five decomposition modes of textual gradient optimizers by varying how much cross-task information the loss, gradient and optimizer LLMs share. In 6 of 10 configurations, we observe that optimization never improves over the initial prompt. Gradient specificity drops by 59% (from 9.0 to 3.7) when the gradient LLM processes multiple criteria jointly. Separately, we observe that naively combining per-task instructions into a single prompt degrades Spearman's rho by -5.3%. These results identify two separable failure modes: optimization-time gradient dilution and inference-time instruction interference, which together constrain the design space for multi-objective judge customization using textual feedback.
Authors: Bipin Tiwari, Omer San
Abstract: Bayesian inverse design provides a principled framework for inferring aerodynamic geometries from sparse flow observations while quantifying uncertainty. However, its practical use in computational fluid dynamics (CFD) is severely limited by the cost of repeated high-fidelity simulations required for gradient-based Markov chain Monte Carlo (MCMC) sampling. While surrogate models are commonly proposed to reduce this cost, their effect on posterior geometry and uncertainty, especially for shock-dominated flows, remains poorly understood. In this work, we demonstrate that neural operator surrogates can be embedded directly within the MCMC inference loop while preserving posterior structure. Using a fully Bayesian inverse formulation of quasi-one-dimensional nozzle flow, we demonstrate that geometry parameterization plays a decisive role in identifiability and posterior conditioning, with cubic B-splines yielding stable and physically meaningful uncertainty estimates. Building on this formulation, a Deep Operator Network trained on CFD-generated data is substituted for the CFD solver within a No-U-Turn Sampler, while keeping the likelihood model, priors, and sampling configuration unchanged. Across sparse to fully observed regimes, surrogate-based inference reproduces the posterior geometry and uncertainty trends of the CFD reference. As a result of surrogate integration, total inference time is reduced to under one second, corresponding to a speedup exceeding three orders of magnitude. In addition, a direct inverse neural operator is examined as a deterministic alternative for inverse design, enabling single-shot geometry reconstruction without posterior sampling. These results demonstrate that neural operator-accelerated Bayesian inference enables practical, uncertainty-aware inverse design workflows for aerodynamic applications.
Authors: Ali Rouzbayani, Bidhan Roy, Marcos Villagra, Zhiying Jiang
Abstract: We present Paris 2.0, the first video generation model pre-trained through decentralized computation. Its training recipe builds upon Paris 1.0 (arXiv:2510.03434), the first ever open-weight Decentralized Diffusion Model (DDM), which showed that image generation can be trained without a monolithic GPU cluster. However, temporally coherent video generation had remained an open problem under decentralized training, and Paris 2.0 closes it. In low-resolution text-to-video training, against a monolithic model trained on the same data under a matched total compute budget, Paris 2.0 cuts Frechet Video Distance (FVD) from 561.04 to 279.01, a ~2.0x improvement, and lifts CLIP text-video similarity and aesthetic score.
Authors: Matt L. Wiemann, Lindsay M. Smith, Peter Melchior, Siddharth Mishra-Sharma, Andrew Gordon Wilson, Pavel Izmailov, Carolina Cuesta-L\'azaro
Abstract: Frontier LLMs now perform strongly across a wide range of physics evaluations, but it is hard to disentangle genuine reasoning from recall of established science. We introduce DiscoverPhysics, an interactive benchmark that asks a LLM agent to discover the laws of motion of a simulated world whose physics deliberately deviates from our own. We construct 22 worlds governed by, among others, screened and fractional-power gravity, multi-species couplings, hidden dark-matter-like particles, non-coordinate-free physics, and time-varying interactions. Each world is generated on demand by an N-body simulator, for which the agent proposes several rounds of experiments, observes raw trajectory data, and ultimately submits both a natural-language explanation of the world's physics and a Python implementation of the inferred law. Because solving a world requires the agent to design informative experiments and revise its hypotheses, the benchmark probes long-horizon reasoning over an experimental history. We evaluate submissions along two complementary axes: trajectory MSE on held-out particles and an LLM-judged explanation score following an expert-written rubric assessing conceptual understanding of each world. Across eleven frontier models, we find that the strongest agents pass only half of the worlds and consistently fail on those where latent structure must be uncovered. Open-source models lag substantially behind commercial models, both in their ability to design informative experiments and in extracting conclusions from the data. We further find that good predictive accuracy does not guarantee high explanation quality and that conceptual understanding depends on hypothesis refinement through well-chosen experiments.
Authors: Shuhong Zheng, Aashish Kumar Misraa, Yu-Teng Li, Yu-Jhe Li, Igor Gilitschenski
Abstract: Subject-driven image generation aims to synthesize new images that preserve the identity of the given subject while following textual instructions. Existing approaches often encode text and reference images separately. This limits cross-modal reasoning abilities and causes copy-paste artifacts. Recent frameworks that connect multimodal models and diffusion models improve instruction following, but largely overlook identity preservation. To address these limitations, we condition diffusion models on Multimodal Large Language Models (MLLMs) that jointly encode text and reference images, and augment it with VAE-based identity conditioning. A novel Dual Layer Aggregation (DLA) module is designed to aggregate multi-level MLLM features for optimal conditioning, and a multi-stage denoising strategy is applied to progressively balance the semantic information from MLLM and fine-detail identity from VAE during inference. Extensive experiments demonstrate that our approach harmonizes multimodal understanding with identity preservation, mitigates copy-paste issues, and achieves superior performance regarding human preference on subject-driven image generation. Our project website is available at https://zsh2000.github.io/squeeze-mllm-subject-gen/.
Authors: Shangding Gu
Abstract: This paper studies the next major bottleneck in agentic AI as system scaling, not only model scaling: the design of auditable, persistent, modular, and verifiable architectures around foundation models. We refer to this shift as scaling the harness: treating the structured execution layer around a foundation model as a first-class object of design, evaluation, and optimization. Although recent large language models enable agents to use tools, retrieve information, maintain memory, and execute long-horizon workflows, evaluation remains largely model-centric, often reducing agents to final-task success while treating memory, retrieval, tool use, orchestration, verification, and governance as secondary implementation details. This framing is increasingly inadequate because agent performance emerges from the interaction among the foundation model, memory substrate, context constructor, skill-routing layer, orchestration loop, and verification-and-governance layer. Together, these components form the agent harness, which translates model capability into long-horizon agent behavior. We study scaling the harness through three core bottlenecks: context governance, trustworthy memory, and dynamic skill routing, together with the orchestration and governance mechanisms that coordinate and constrain them. We further outline a research agenda for harness-level benchmarks that go beyond one-shot task success to measure trajectory quality, memory hygiene, context efficiency, communication fidelity, verification cost, and safe evolution over time. To make the discussion concrete, we develop CheetahClaws: https://github.com/SafeRL-Lab/cheetahclaws, a Python-native reference harness, and compare it with Claude Code and OpenClaw. Our main claim is that future progress in agentic AI will depend as much on system design as on stronger foundation models.
Authors: Xiang Fang, Yuchong Hu, Pan Zhou, Dapeng Oliver Wu
Abstract: Incomplete multi-view clustering is an important technique to deal with real-world incomplete multi-view data. Previous works assume that all views have the same incompleteness, i.e., balanced incompleteness. However, different views often have distinct incompleteness, i.e., unbalanced incompleteness, which results in strong views (low-incompleteness views) and weak views (high-incompleteness views). The unbalanced incompleteness prevents us from directly using the previous methods for clustering. In this paper, inspired by the effective biological evolution theory, we design the novel scheme of view evolution to cluster strong and weak views. Moreover, we propose an Unbalanced Incomplete Multi-view Clustering method (UIMC), which is the first effective method based on view evolution for unbalanced incomplete multi-view clustering. Compared with previous methods, UIMC has two unique advantages: 1) it proposes weighted multi-view subspace clustering to integrate these unbalanced incomplete views, which effectively solves the unbalanced incomplete multi-view problem; 2) it designs the low-rank and robust representation to recover the data, which diminishes the impact of the incompleteness and noises. Extensive experimental results demonstrate that UIMC improves the clustering performance by up to 40% on three evaluation metrics over other state-of-the-art methods.
Authors: Xiang Fang, Yuchong Hu
Abstract: Multi-view clustering has been applied in many real-world applications where original data often contain noises. Some graph-based multi-view clustering methods have been proposed to try to reduce the negative influence of noises. However, previous graph-based multi-view clustering methods treat all features equally even if there are redundant features or noises, which is obviously unreasonable. In this paper, we propose a novel multi-view clustering framework Double Self-weighted Multi-view Clustering (DSMC) to overcome the aforementioned deficiency. DSMC performs double self-weighted operations to remove redundant features and noises from each graph, thereby obtaining robust graphs. For the first self-weighted operation, it assigns different weights to different features by introducing an adaptive weight matrix, which can reinforce the role of the important features in the joint representation and make each graph robust. For the second self-weighting operation, it weights different graphs by imposing an adaptive weight factor, which can assign larger weights to more robust graphs. Furthermore, by designing an adaptive multiple graphs fusion, we can fuse the features in the different graphs to integrate these graphs for clustering. Experiments on six real-world datasets demonstrate its advantages over other state-of-the-art multi-view clustering methods.
Authors: Xiang Fang, Yuchong Hu, Pan Zhou, Dapeng Oliver Wu
Abstract: Real data often appear in the form of multiple incomplete views. Incomplete multi-view clustering is an effective method to integrate these incomplete views. Previous methods only learn the consistent information between different views and ignore the unique information of each view, which limits their clustering performance and generalizations. To overcome this limitation, we propose a novel View Variation and View Heredity approach (V3H). Inspired by the variation and the heredity in genetics, V3H first decomposes each subspace into a variation matrix for the corresponding view and a heredity matrix for all the views to represent the unique information and the consistent information respectively. Then, by aligning different views based on their cluster indicator matrices, V3H integrates the unique information from different views to improve the clustering performance. Finally, with the help of the adjustable low-rank representation based on the heredity matrix, V3H recovers the underlying true data structure to reduce the influence of the large incompleteness. More importantly, V3H presents possibly the first work to introduce genetics to clustering algorithms for learning simultaneously the consistent information and the unique information from incomplete multi-view data. Extensive experimental results on fifteen benchmark datasets validate its superiority over other state-of-the-arts.
Authors: Kaizheng Wang, Xiao Xu, Xun Yu Zhou
Abstract: We study a multi-factor block model for variable clustering and connect it to regularized subspace clustering through a distributionally robust version of nodewise regression. To solve the latter problem, we derive a convex relaxation, provide a data-driven approach for selecting the size of the robust region, and develop an ADMM algorithm for efficient implementation. We validate our method in extensive numerical studies and demonstrate its superior performance.
Authors: Ruinan Jin, Minghui Chen, Qiong Zhang, Xiaoxiao Li
Abstract: Federated Learning (FL) enables collaborative model training across distributed clients while preserving user privacy. Recently, Federated Unlearning (FU) has emerged to address the "right to be forgotten" and to remove the influence of poisoned or target clients without retraining the entire FL system. However, many FU methods require communication with retained or target clients, introduce additional security risks, or store historical models, limiting their efficiency and practicality. Moreover, most FU methods for deep neural networks (DNNs) lack theoretical certification due to the complexity of nonlinear models and their training dynamics. In this work, we introduce Forgettable Federated Linear Learning, a training and unlearning framework for DNNs. Our approach uses pre-trained models to linearly approximate DNNs and achieve performance comparable to the original networks through Federated Linear Training. We further present a certified, efficient, and secure unlearning strategy that enables the server to remove a target client's influence without additional client communication or storage. Extensive experiments on small- to large-scale datasets, using both convolutional neural networks and modern foundation models, show that our method balances model accuracy with effective target-client unlearning. This work provides a practical pipeline for efficient and trustworthy FU. Code: https://github.com/Nanboy-Ronan/2F2L-Federated-Unlearning
URLs: https://github.com/Nanboy-Ronan/2F2L-Federated-Unlearning
Authors: Yihan Zhang, My T. Thai, Jie Wu, Hongchang Gao
Abstract: Stochastic bilevel optimization finds widespread applications in machine learning, including meta-learning, hyperparameter optimization, and neural architecture search. To extend stochastic bilevel optimization to distributed data, several decentralized stochastic bilevel optimization algorithms have been developed. However, existing methods often suffer from slow convergence rates and high communication costs in heterogeneous settings, limiting their applicability to real-world tasks. To address these issues, we propose two novel decentralized stochastic bilevel gradient descent algorithms based on \textit{simultaneous} and \textit{alternating} update strategies. Our algorithms can achieve faster convergence rates and lower communication costs than existing methods. Importantly, our convergence analyses do not rely on strong assumptions regarding heterogeneity. More importantly, our theoretical analyses clearly disclose how the computation and communication regarding the Hessian-inverse-vector product under the heterogeneous setting affects the convergence rate. To the best of our knowledge, this is the first time such favorable theoretical results have been achieved with mild assumptions in the heterogeneous setting. Furthermore, we demonstrate how to establish the convergence rate for the alternating update strategy when combined with the variance-reduced gradient. Finally, experimental results confirm the efficacy of our algorithms.
Authors: Zixiong Yu, Guhan Chen, Jianfa Lai, Bohan Li, Songtao Tian
Abstract: Scaling factors in residual branches have emerged as a prevalent method for boosting neural network performance, especially in normalization-free architectures. While prior work has primarily examined scaling effects from an optimization perspective, this paper investigates their role in residual architectures through the lens of generalization theory. Specifically, we establish that wide residual networks (ResNets) with constant scaling factors become asymptotically unlearnable as depth increases. In contrast, when the scaling factor exhibits rapid depth-wise decay combined with early stopping, over-parameterized ResNets achieve minimax-optimal generalization rates. To establish this, we demonstrate that the generalization capability of wide ResNets can be approximated by kernel regression associated with the Neural Tangent Kernel (NTK). Our theoretical findings are validated through experiments on synthetic data and real-world classification tasks, including MNIST and CIFAR-100.
Authors: Jacob E. Kooi, Zhao Yang, Mark Hoogendoorn, Vincent Fran\c{c}ois-Lavet
Abstract: Deep reinforcement learning agents progressively lose representational capacity during training: neurons become dormant, removing active capacity from the network, and effective rank collapses, leaving surviving neurons redundant. Existing remedies such as periodic resets, and special neural network architectures, are largely algorithm- or domain-specific. We propose a simple architectural fix, the Hadamard Representation (HR), which replaces a standard hidden layer with the element-wise product of two independently parameterized layers. HR operates through two complementary mechanisms. First, it reduces the probability of a neuron becoming dormant, which is particularly valuable for continuously differentiable activations such as tanh: unlike dormant ReLU neurons, which are effectively pruned, saturated tanh neurons silently corrupt downstream layers by turning their outgoing weights into fixed biases. Second, independently of dormancy, the multiplicative structure captures richer feature interactions and increases effective rank without widening the layer. We evaluate HR across five algorithms and three domains: DQN, PPO, and PQN on pixel-based discrete-action Atari, SimbaV2 on state-based continuous control, and MR.Q on visual continuous control. HR consistently improves performance over the strong baselines without any hyperparameter tuning, and gains persist against parameter-matched wider variants, ruling out parameter count as an alternative explanation.
Authors: Weijie Xia, Gao Peng, Chenguang Wang, Peter Palensky, Eric Pauwels, Pedro P. Vergara
Abstract: Electricity Consumption Profiles (ECPs) are crucial for operating and planning power distribution systems, especially with the increasing number of low-carbon technologies such as solar panels and electric vehicles. Traditional ECP modeling methods typically assume the availability of sufficient ECP data. However, in practice, the accessibility of ECP data is limited due to privacy issues or the absence of metering devices. Few-shot learning (FSL) has emerged as a promising solution for ECP modeling in data-scarce scenarios. Nevertheless, standard FSL methods, such as those used for images, are unsuitable for ECP modeling because (1) these methods usually assume several source domains with sufficient data and several target domains. However, in the context of ECP modeling, there may be thousands of source domains, e.g., households with a moderate amount of data, and thousands of target domains, e.g., households that ECP are required to be modeled. (2) Standard FSL methods usually involve cumbersome knowledge transfer mechanisms, such as pre-training and fine-tuning. To address these limitations, this paper proposes a novel FSL framework that integrates Transformers with Gaussian Mixture Models (GMMs) for ECP modeling. The proposed approach is fine-tuning-free, computationally efficient, and robust even with extremely limited data. Results show that our method can accurately restore the complex ECP distribution with a minimal amount of ECP data (e.g., only 1.6% of the complete domain dataset) and outperforms state-of-the-art time series modeling methods in the context of ECP modeling.
Authors: Binshuai Wang, Qiwei Di, Ming Yin, Mengdi Wang, Quanquan Gu, Peng Wei
Abstract: Motivated by the Bures distance, we introduce a new family of distances, \emph{relative translation invariant Wasserstein distances}, denoted by $RW_p$, as an extension of the classical Wasserstein distances $W_p$ for $p \in [1, +\infty)$. We establish that $RW_p$ defines a valid metric and demonstrate that this type of metric is more intrinsic than the classical Wasserstein distance. A bi-level algorithm is designed to compute the general $RW_p$ distance between arbitrary discrete distributions. Moreover, when $p = 2$, we show that the optimal coupling matrix is invariant under distributional translation in the discrete setting, and we further propose two algorithms, the $\mathrm{RW}_2$-LP algorithm and the $\mathrm{RW}_2$-Sinkhorn algorithm, to improve the numerical stability of computing $W_2$ distance and the optimal coupling matrix solutions. Finally, we conduct three experiments to validate our theoretical results and algorithms. The first two experiments report that the $\mathrm{RW}_2$-LP algorithm and the $\mathrm{RW}_2$-Sinkhorn algorithm, both with and without normalization, can significantly reduce the numerical errors compared to standard algorithms. The third experiment shows that $RW_p$ algorithms are computationally scalable and applicable to the retrieval of similar thunderstorm patterns in practical applications.
Authors: Jonathan von Rad, Florian Seuffert
Abstract: Deep Neural Networks (DNNs) are often over-parameterized for their tasks and can be compressed quite drastically by removing weights, a process called pruning. We investigate the impact of different pruning techniques on the classification performance and interpretability of GoogLeNet. We systematically apply unstructured and structured pruning, as well as connection sparsity (pruning of input weights) methods to the network and analyze the outcomes regarding the network's performance on the validation set of ImageNet. We also compare different retraining strategies, such as iterative pruning and one-shot pruning. We find that with sufficient retraining epochs, the performance of the networks can approximate the performance of the default GoogLeNet - and even surpass it in some cases. To assess interpretability, we employ the Mechanistic Interpretability Score (MIS) developed by Zimmermann et al. . Our experiments reveal that there is no significant relationship between interpretability and pruning rate when using MIS as a measure. Additionally, we observe that networks with extremely low accuracy can still achieve high MIS scores, suggesting that the MIS may not always align with intuitive notions of interpretability, such as understanding the basis of correct decisions.
Authors: Guobing Zou, Fei Zhao, Shengxiang Hu
Abstract: Quality of Service (QoS) is an important metric to measure the performance of network services. Nowadays, it is widely used in mobile edge environments to evaluate the quality of service when mobile devices request services from edge servers. QoS usually involves multiple dimensions, such as bandwidth, latency, jitter, and data packet loss rate. However, most existing QoS datasets, such as the common WS-Dream dataset, focus mainly on static QoS metrics of network services and ignore dynamic attributes such as time and geographic location. This means they should have detailed the mobile device's location at the time of the service request or the chronological order in which the request was made. However, these dynamic attributes are crucial for understanding and predicting the actual performance of network services, as QoS performance typically fluctuates with time and geographic location. To this end, we propose a novel dataset that accurately records temporal and geographic location information on quality of service during the collection process, aiming to provide more accurate and reliable data to support future QoS prediction in mobile edge environments.
Authors: Cem \"Uy\"uk, Mike Lasby, Mohamed Yassin, Utku Evci, Yani Ioannou
Abstract: Large neural networks achieve state-of-the-art performance on many tasks, yet their sheer size hinders deployment on resource-constrained devices. Among existing compression approaches, cross-layer parameter sharing remains relatively unexplored for transformer models. In this paper, we introduce Fine-grained Parameter Sharing (FiPS), a unified framework for compressing transformer Multi-Layer Perceptrons (MLPs) that combines cross-block parameter sharing, low-rank factorization, and sparsity in a single optimization. FiPS concatenates MLP weight matrices across a group of transformer blocks and factorizes them into a shared basis and sparse, layer-specific projection matrices. Both factors are initialized via singular value decomposition (SVD) and jointly optimized by block-wise reconstruction error minimization. FiPS compresses Vision Transformers (ViTs) by up to 33% with less than 1% top-1 accuracy loss on ImageNet-1k, and by up to 57% when combined with fine-tuning. It also compresses Large Language Models (LLMs) by up to 20% while outperforming existing SVD-based methods in perplexity and downstream benchmarks at matched compression. Combined with Quantization-Aware Training (QAT), 3-bit FiPS on Gemma-2-2B achieves lower perplexity than 2-bit QAT alone while matching the same 8x compression. These results establish fine-grained parameter sharing as a practical and effective approach for transformer MLP compression.
Authors: Yanping Wu, Yanyong Huang, Zhengzhang Chen, Zijun Yao, Yanjie Fu, Kunpeng Liu, Xiao Luo, Dongjie Wang
Abstract: Iterative feature space optimization involves systematically evaluating and adjusting the feature space to improve downstream task performance. However, existing works suffer from three key limitations:1) overlooking differences among data samples leads to evaluation bias; 2) tailoring feature spaces to specific machine learning models results in overfitting and poor generalization; 3) requiring the evaluator to be retrained from scratch during each optimization iteration significantly reduces the overall efficiency of the optimization process. To bridge these gaps, we propose a gEneralized Adaptive feature Space Evaluator (EASE) to efficiently produce optimal and generalized feature spaces. This framework consists of two key components: Feature-Sample Subspace Generator and Contextual Attention Evaluator. The first component aims to decouple the information distribution within the feature space to mitigate evaluation bias. To achieve this, we first identify features most relevant to prediction tasks and samples most challenging for evaluation based on feedback from the subsequent evaluator. This decoupling strategy makes the evaluator consistently target the most challenging aspects of the feature space. The second component intends to incrementally capture evolving patterns of the feature space for efficient evaluation. We propose a weighted-sharing multi-head attention mechanism to encode key characteristics of the feature space into an embedding vector for evaluation. Moreover, the evaluator is updated incrementally, retaining prior evaluation knowledge while incorporating new insights, as consecutive feature spaces during the optimization process share partial information. Extensive experiments on fourteen real-world datasets demonstrate the effectiveness of the proposed framework. Our code and data are publicly available.
Authors: Qingxiang Liu, Xiaoliang Luo, Chenghao Liu, Sheng Sun, Di Yao, Lvchun Wang, Wei Yu, Yuxuan Liang
Abstract: Unsupervised anomaly detection of multivariate time series is a challenging task, given the requirements of deriving a compact detection criterion without accessing the anomaly points. The existing methods are mainly based on reconstruction error or association divergence, which are both confined to isolated subsequences with limited horizons, hardly promising unified series-level criterion. In this paper, we propose the Global Dictionary-enhanced Transformer (GDformer) with a renovated dictionary-based cross attention mechanism to cultivate the global representations shared by all normal points in the entire series. Accordingly, the cross-attention maps reflect the correlation weights between the point and global representations, which naturally leads to the representation-wise similarity-based detection criterion. To foster more compact detection boundary, prototypes are introduced to capture the distribution of normal point-global correlation weights. GDformer consistently achieves state-of-the-art unsupervised anomaly detection performance on five real-world benchmark datasets. Further experiments validate the global dictionary has great transferability among various datasets.
Authors: Amitay Sicherman, Kira Radinsky
Abstract: State-of-the-art models represent proteins and molecules in separate embedding manifolds, limiting the modeling of systemic biological processes. We introduce ReactEmbed, a lightweight, plug-and-play module that bridges this gap. ReactEmbed leverages biochemical reaction networks as a source of functional context, based on the principle that co-participation in reactions defines a shared functional scope. The module aligns frozen embeddings from models like ESM-3 and MolFormer into a unified space using a weighted reaction graph and a specialized sampling strategy. This process enriches unimodal embeddings and enables strong performance on cross-domain benchmarks. ReactEmbed offers a practical method to unify biological representations without costly retraining. The code and database are available for open use\footnote{https://github.com/amitaysicherman/ReactEmbeded}.
Authors: Wenzhi Fang, Dong-Jun Han, Liangqi Yuan, Seyyedali Hosseinalipour, Christopher G. Brinton
Abstract: Fine-tuning large language models (LLMs) on resource-constrained clients remains a challenging problem. Recent works have fused low-rank adaptation (LoRA) techniques with federated fine-tuning to mitigate challenges associated with client model sizes and data scarcity. Still, the heterogeneity of resources remains a critical bottleneck: while higher-rank modules generally enhance performance, varying client capabilities constrain LoRA's feasible rank range. Existing approaches attempting to resolve this issue either lack analytical justification or impose additional computational overhead, leaving a wide gap for efficient and theoretically-grounded solutions. To address these challenges, we propose federated sketching LoRA (FSLoRA), which leverages a sketching mechanism to enable clients to selectively update submatrices of global LoRA modules maintained by the server. By adjusting the sketching ratios, which determine the ranks of the submatrices on the clients, FSLoRA flexibly adapts to client-specific communication and computational constraints. We provide a rigorous convergence analysis of FSLoRA that characterizes how the sketching ratios affect the convergence rate. Through extensive experiments, we demonstrate that FSLoRA outperforms baselines and significantly improves training efficiency while preserving stable convergence.
Authors: Ankur Samanta, Rohan Gupta, Aditi Misra, Christian McIntosh Clarke, Jayakumar Rajadas
Abstract: Molecular representation learning methods typically tokenize molecules as individual atoms or use rigid, rule-based fragment decompositions, limiting their ability to capture meaningful chemical substructure context. We introduce FragmentNet, a graph-to-sequence model built around a novel adaptive, learned tokenizer that decomposes molecular graphs into chemically valid fragments of adjustable granularity, complemented by chemically aware spatial positional encodings that preserve molecular topology in the resulting sequence. Extending masked pre-training strategies from natural language processing to the molecular domain, we mask and reconstruct molecules at the level of chemically meaningful fragments rather than individual atoms. Evaluating across multiple property prediction benchmarks, we find that pre-training at fragment granularity leads to improved downstream performance on the majority of tasks, demonstrating that tokenization granularity is an important design choice for molecular representation learning.
Authors: Vladislav Trifonov, Ekaterina Muravleva, Ivan Oseledets
Abstract: Graph Neural Networks (GNNs) have been proposed as a tool for learning sparse matrix preconditioners, which are key components in accelerating linear solvers. We present theoretical and empirical evidence that message-passing GNNs are fundamentally incapable of approximating sparse triangular factorizations for classes of matrices for which high-quality preconditioners exist but require non-local dependencies. To illustrate this, we construct a set of baselines using both synthetic matrices and real-world examples from the SuiteSparse collection. Across a range of GNN architectures, including Graph Attention Networks and Graph Transformers, we observe low cosine similarity ($\leq0.7$ in key cases) between predicted and reference factors. Our theoretical and empirical results suggest that architectural innovations beyond message-passing are necessary for applying GNNs to scientific computing tasks such as matrix factorization. Moreover, experiments demonstrate that overcoming non-locality alone is insufficient. Tailored architectures are necessary to capture the required dependencies since even a completely non-local Global Graph Transformer fails to match the proposed baselines.
Authors: Jusheng Zhang, Yijia Fan, Kaitong Cai, Keze Wang, Wenhao Wang
Abstract: Although Kolmogorov-Arnold-based interpretable networks (KANs) possess strong theoretical expressiveness, they suffer from severe parameter explosion and limited ability to capture high-frequency features in high-dimensional tasks. To address these issues, we propose the Kolmogorov-Arnold Fourier Network (KAF), which fundamentally redefines the KAN paradigm through spectral reparameterization. Our key contributions include: (1) proposing a fundamental basis transformation from the local, grid-based B-spline representation to a global, adaptive spectral representation. This shift changes the network's inductive bias, reducing parameter complexity from $O(G)$ to $O(1)$ while preserving expressiveness; (2) introducing trainable Random Fourier Features (RFF) initialized via a spectral alignment strategy, which allows the model to break the smoothness limitation of fixed kernels and accurately capture high-frequency components; and (3) implementing an adaptive hybrid GELU-Fourier activation mechanism that progressively enhances frequency representation during training. Comprehensive experiments demonstrate the superiority of KAF across computer vision (CV), natural language processing (NLP), audio, and partial differential equation (PDE) solving tasks, achieving state-of-the-art performance with improved efficiency. The code is available at https://github.com/kolmogorovArnoldFourierNetwork/KAF.
URLs: https://github.com/kolmogorovArnoldFourierNetwork/KAF.
Authors: Lauri Sepp\"al\"ainen, Mudong Guo, Kai Puolam\"aki
Abstract: Most commonly used non-linear machine learning methods are closed-box models, uninterpretable to humans. The field of explainable artificial intelligence (XAI) aims to develop tools to examine the inner workings of these closed boxes. An often-used model-agnostic approach to XAI involves using simple models as local approximations to produce so-called local explanations; examples of this approach include LIME, SHAP, and SLISEMAP. This paper shows how a large set of local explanations can be reduced to a small "proxy set" of simple models, which can act as a generative global explanation. This reduction procedure, ExplainReduce, can be formulated as an optimisation problem and approximated efficiently using greedy heuristics. We show that, for many problems, as few as five explanations can faithfully emulate the closed-box model and that our reduction procedure is competitive with other model aggregation methods.
Authors: Bohan Lyu, Siqiao Huang, Zichen Liang
Abstract: Neural surrogate models are powerful and efficient tools in data mining. Meanwhile, large language models (LLMs) have demonstrated remarkable capabilities in code-related tasks, such as generation and understanding. However, an equally important yet underexplored question is whether LLMs can serve as surrogate models for code execution prediction. To systematically investigate it, we introduce SURGE, a comprehensive benchmark with $1160$ problems covering $8$ key aspects: multi-language programming tasks, competition-level programming problems, repository-level code analysis, high-cost scientific computing, time-complexity-intensive algorithms, buggy code analysis, programs dependent on specific compilers or execution environments, and formal mathematical proof verification. Through extensive analysis of $21$ open-source and proprietary LLMs, we examine scaling laws, data efficiency, and predictive accuracy. Our findings reveal important insights about the feasibility of LLMs as efficient surrogates for computational processes. The benchmark and evaluation framework are available at https://github.com/Imbernoulli/SURGE.
Authors: Zhenlong Liu, Wenyu Jiang, Feng Zhou, Hongxin Wei
Abstract: Membership Inference Attacks (MIAs) aim to estimate whether a specific data point was used in the training of a given model. Existing state-of-the-art attacks typically rely on training multiple reference models to approximate the conditional score distribution for individual data points, which leads to significant computational overhead and limits their practical applicability. In this work, we propose a novel approach -- Bayesian Membership Inference Attack (BMIA), which performs conditional attack through Bayesian sampling. Specifically, we apply Laplace approximation to a single reference model to obtain a posterior over model parameters, enabling direct estimation of the conditional score distribution. Theoretically, we demonstrate that Bayesian sampling reduces intra-model variance, thereby improving attack power. This insight naturally motivates the multi-reference variant that further enhances performance when additional reference models are available. Extensive experiments across image, text, and tabular datasets indicate that our method achieves state-of-the-art performance in both effectiveness and efficiency.
Authors: Sho Sonoda, Kazumi Kasaura, Yuma Mizuno, Kei Tsukamoto, Naoto Onda
Abstract: Understanding and certifying the generalization performance of machine learning algorithms -- i.e. obtaining theoretical estimates of the test error from the training error -- is a central theme of statistical learning theory. Among the many complexity measures used to derive such guarantees, Rademacher complexity yields sharp, data-dependent bounds that apply well beyond classical VC-dimension theory. In this study, we formalize the generalization error bound by Rademacher complexity in Lean 4, building on measure-theoretic probability theory available in the Mathlib library. Our development provides a mechanically-checked pipeline from the definitions of empirical and expected Rademacher complexity, through a formal symmetrization argument and a bounded-differences analysis, to high-probability uniform deviation bounds via a formally proved McDiarmid inequality. A key technical contribution is a reusable mechanism for lifting results from countable hypothesis classes (where measurability of suprema is straightforward in Mathlib) to separable topological index sets via a reduction to a countable dense subset. As worked applications of the abstract theorem, we mechanize standard empirical Rademacher bounds for linear predictors under $\ell_2$ and $\ell_1$ regularizations, and we also formalize a Dudley-type entropy integral bound based on covering numbers and a chaining construction.
Authors: Emanuele Zappala, Alice Giola, Andreas Kramer, Saugat Acharya, Enrico Greco
Abstract: Learning maps between function spaces with a strong inductive bias is a central challenge in soft computing, especially when training data are scarce and standard deep architectures overfit. We introduce a \emph{neural integral operator} (NIO) framework based on integral equations of the first kind, in which the Urysohn kernel of the operator is parameterized by a feed-forward network~$G_{\theta_G}$ and the latent function is produced by a convolutional encoder~$E_{\phi_E}$, both trained jointly end-to-end via cross-entropy loss. The integral defining the learned operator is approximated by Monte Carlo sampling, which we argue acts as an implicit stochastic regularizer operating at the level of the integrand and complementing parameter-level regularizers such as weight decay and dropout. We benchmark the framework on three real-world spectroscopic classification tasks (FT-IR fruit purees, NIR meat, NIR textiles) of varying size and complexity, against traditional machine learning (decision tree, support vector machine, with and without UMAP) and modern deep learning baselines (FFNN, CNN+FFNN, shallow CNN, transformer). The proposed NIO is consistently among the top two performing models across all datasets and metrics, achieves the best results on the most challenging small-and-complex dataset (Textile), and yields lower performance variance than competing deep models in the small-data regime. The results suggest that operator-learning architectures with stochastic numerical integration are a viable soft-computing strategy for inverse problems in spectroscopy when conventional deep learning approaches are limited by data scarcity.
Authors: Yanggan Gu, Yuanyi Wang, Zhaoyi Yan, Yiming Zhang, Qi Zhou, Fei Wu, Hongxia Yang
Abstract: Model fusion combines multiple Large Language Models (LLMs) with different strengths into a more powerful, integrated model through lightweight training methods. Existing works on model fusion focus primarily on supervised fine-tuning (SFT), leaving preference alignment (PA) --a critical phase for enhancing LLM performance--largely unexplored. The current few fusion methods on PA phase, like WRPO, simplify the process by utilizing only response outputs from source models while discarding their probability information. To address this limitation, we propose InfiFPO, a preference optimization method for implicit model fusion. InfiFPO replaces the reference model in Direct Preference Optimization (DPO) with a fused source model that synthesizes multi-source probabilities at the sequence level, circumventing complex vocabulary alignment challenges in previous works and meanwhile maintaining the probability information. By introducing probability clipping and max-margin fusion strategies, InfiFPO enables the pivot model to align with human preferences while effectively distilling knowledge from source models. Comprehensive experiments on 11 widely-used benchmarks demonstrate that InfiFPO consistently outperforms existing model fusion and preference optimization methods. When using Phi-4 as the pivot model, InfiFPO improve its average performance from 79.95 to 83.33 on 11 benchmarks, significantly improving its capabilities in mathematics, coding, and reasoning tasks.
Authors: Zixuan Chen, Hao Lin, Ke Xu, Xinghao Jiang, Tanfeng Sun
Abstract: Text-to-image (T2I) models can generate not-safe-for-work (NSFW) content, motivating multi-stage safety pipelines with both text and image filters. Newer LLM-based filters detect latent intent beyond keywords, making token-level perturbation attacks unreliable. Our evaluation further shows that existing jailbreak methods exhibit a sharp trade-off between filter evasion and semantic fidelity, while also requiring excessive queries to succeed. We introduce \textbf{OptJail}, an automated jailbreak framework that combines dynamic prompt optimization with multimodal feedback. It consists of two key components: (i) \textit{Dynamic Optimization}, an iterative process that leverages text-filter feedback and semantic consistency to rewrite prompts into adversarial variants; and (ii) \textit{Adaptive Safety Indicator Injection}, which formulates the injection of benign visual cues as a reinforcement learning problem to bypass image-level filters. OptJail achieves state-of-the-art performance, increasing the ShieldLM-7B bypass rate from 8.9\% (Sneakyprompt) to 99.0\%, improving CLIP score from 0.2637 to 0.2762. Moreover, it generalizes to unseen filters and successfully jailbreaks DALL E 3 in our evaluation. Mechanistic analysis reveals why these defenses fail: optimized prompts are projected into the ``safe'' region of the filter's representation space yet remain nearly stationary in the generative model's semantic space, and injected safety indicators redirect image detectors' attention away from NSFW content toward benign visual cues. This study reveals systemic vulnerabilities in current multimodal defenses and motivates stronger adaptive defenses.
Authors: Ruishuo Chen, Xun Wang, Rui Hu, Zhuoran Li, Longbo Huang
Abstract: Generative Flow Networks (GFlowNets) excel at sampling diverse, high-reward objects. In many practical applications where active reward queries are infeasible, these models must be trained using static offline datasets. Prevailing training methods typically rely on a proxy model to provide reward feedback for online sampled trajectories. However, constructing a reliable proxy is often challenging due to data scarcity or high evaluation costs. While existing proxy-free approaches attempt to address this, they often impose coarse constraints that limit the model's ability to explore effectively. To overcome these limitations, we propose Trajectory-Distilled GFlowNet (TD-GFN), a novel proxy-free training framework. TD-GFN utilizes inverse reinforcement learning (IRL) to extract dense, transition-level edge rewards from offline trajectories, providing rich structural guidance for efficient exploration. Crucially, to ensure robustness, these rewards guide the policy indirectly through DAG pruning and prioritized backward sampling. This design ensures that gradient updates rely exclusively on ground-truth terminal rewards from the dataset, thereby preventing error propagation. Empirical results demonstrate that TD-GFN significantly outperforms a broad range of existing baselines in both convergence speed and sample quality, establishing a more robust and efficient paradigm for offline GFlowNet training.
Authors: Zhengyu Fang, Zhimeng Jiang, Huiyuan Chen, Xiaoge Zhang, Kaiyu Tang, Xiao Li, Jing Li
Abstract: Diffusion models have shown strong performance in generating high-quality tabular data, but they carry privacy risks by reproducing exact training samples. While prior work focuses on dataset-level augmentation to reduce memorization, little is known about which individual samples contribute most. We present the first data-centric study of memorization dynamics in tabular diffusion models. We quantify memorization for each real sample based on how many generated samples are flagged as replicas, using a relative distance ratio. Our empirical analysis reveals a heavy-tailed distribution of memorization counts: a small subset of samples contributes disproportionately to leakage, confirmed via sample-removal experiments. To understand this, we divide real samples into top- and non-top-memorized groups and analyze their training-time behaviors. We track when each sample is first memorized and monitor per-epoch memorization intensity (AUC). Memorized samples are memorized slightly earlier and show stronger signals in early training. Based on these insights, we propose DynamicCut, a two-stage, model-agnostic mitigation method: (a) rank samples by epoch-wise intensity, (b) prune a tunable top fraction, and (c) retrain on the filtered dataset. Across multiple tabular datasets and models, DynamicCut reduces memorization with minimal impact on data diversity and downstream performance. It also complements augmentation-based defenses. Furthermore, DynamicCut enables cross-model transferability: high-ranked samples identified from one model (e.g., a diffusion model) are also effective for reducing memorization when removed from others, such as GANs and VAEs.
Authors: Enea Monzio Compagnoni, Rustem Islamov, Frank Norbert Proske, Aurelien Lucchi, Antonio Orvieto, Eduard Gorbunov
Abstract: Distributed stochastic optimization intertwines (i) stochastic gradient noise, (ii) communication compression, and (iii) adaptive/normalized updates. While each factor has been studied in isolation, their joint effect under realistic assumptions remains poorly understood. In this work, we develop a unified theoretical framework for Distributed Compressed SGD (DCSGD) and its sign variant Distributed SignSGD (DSignSGD) under the recently introduced $(L_0, L_1)$-smoothness condition. From a conceptual perspective, we show that the first- and second-order modified equations from the literature do not accurately model the discrete-time step-size/stability restrictions, especially under $(L_0,L_1)$-smoothness. From a technical perspective, we propose new first-order SDEs by carefully incorporating curvature-dependent terms into their drift: This helps capture the fine-grained relationship between learning rate restrictions, gradient noise, compression, and the geometry of the loss landscape. Importantly, we do so under general gradient noise assumptions, including heavy-tailed and affine-variance regimes, which extend beyond the classical bounded-variance setting. Our results suggest that normalizing the updates of DCSGD emerges as a natural condition for stability, with the degree of normalization precisely determined by the gradient noise structure, the landscape's regularity, and the compression rate. In contrast, DSignSGD converges even under heavy-tailed noise with standard learning rate schedules. Together, these findings offer both new theoretical insights and perspectives, and practical guidance.
Authors: Zhiwei Bai, Zhangchen Zhou, Jiajie Zhao, Xiaolong Li, Zhiyu Li, Feiyu Xiong, Hongkang Yang, Yaoyu Zhang, Zhi-Qin John Xu
Abstract: Loss spikes commonly emerge during neural network training with the Adam optimizer across diverse architectures and scales, yet their underlying mechanism remains elusive. While previous explanations attribute these phenomena to sharper loss landscapes at lower loss, we show that landscape geometry alone is insufficient to explain the phenomenon. In this work, we pinpoint the root cause in the internal dynamics of Adam's second moment estimator. We identify a critical ``decoupling'' mechanism where the adaptive preconditioner $v_t$ fails to track the instantaneous squared gradients $g_t^2$, causing the adaptive mechanism to effectively fail. This decoupling allows the preconditioner to decay autonomously despite rising gradients, which pushes the maximum eigenvalue of the preconditioned Hessian beyond the stability threshold $2/\eta$ for sustained periods, manifesting as dramatic loss spikes. Through a quadratic approximation analysis, we theoretically and experimentally characterize five distinct stages of spike evolution and propose a predictor for anticipating spikes based on gradient-directional curvature. We empirically find that the proposed loss spike mechanism, although derived from simplified models, generalizes well to practical scenarios ranging from small neural networks to large-scale Transformers.
Authors: Xinyuan Wang, Liang Wu, Dongjie Wang, Yanjie Fu
Abstract: Whole-page optimization (WPO) decides how search and recommendation results are surfaced to users, and large language models (LLMs) open a new route to it by treating page generation as sequence generation. Adapting LLMs to web-scale WPO, however, remains bottlenecked by the need for costly human annotations and by the mismatched granularity between page-level coherence and item-level placement. In this work we show that these two challenges are coupled: implicit user feedback alone suffices for alignment, provided the reward signal is decoupled into two complementary granularities. We propose PageLLM, a reward-based fine-tuning framework that (i) turns implicit feedback into four contrastive preference-pair families covering relevance, ranking, diversity, and redundancy, (ii) learns a coarse page-level reward and a fine item-level reward that captures engagement-sensitive position swaps, and (iii) combines both rewards in PPO-based RLHF over a pre-trained LLM. Extensive experiments on seven Amazon categories against eleven baselines show that neither reward alone is sufficient -- dropping the page-level or item-level signal reduces NDCG@100 by 17.8% and 15.2% respectively, whereas the joint reward improves NDCG@100 by up to 46.8%. Deployed in a 10M-user online A/B test, PageLLM raises GMV by 0.44% and click-through rate by 0.14%, confirming that multi-grained rewards from implicit feedback scale to production WPO. Code and data are available at an anonymized repository.
Authors: Hariharan Ramesh, Jyotikrishna Dass
Abstract: Integrating Low-Rank Adaptation (LoRA) into federated learning offers a promising solution for parameter-efficient fine-tuning of Large Language Models (LLMs) without sharing local data. However, several methods designed for federated LoRA present significant challenges in balancing communication efficiency, model accuracy, and computational cost, particularly among heterogeneous clients. These methods either rely on simplistic averaging of local adapters, which introduces aggregation noise, require transmitting large stacked local adapters, leading to poor communication efficiency, or necessitate reconstructing memory-dense global weight-update matrix and performing computationally expensive decomposition to design client-specific low-rank adapters. In this work, we propose FLoRIST, a federated fine-tuning framework that achieves mathematically accurate aggregation without incurring high communication or computational overhead. Instead of constructing the full global weight-update matrix at the server, FLoRIST employs an efficient decomposition pipeline by performing singular value decomposition on stacked local adapters separately. This approach operates within a compact intermediate space to represent the accumulated information from local LoRAs. We introduce tunable singular value thresholding for server-side optimal rank selection to construct a pair of global low-rank adapters shared by all clients. Extensive empirical evaluations across multiple datasets and LLMs demonstrate that FLoRIST consistently strikes the best balance between superior communication efficiency and competitive performance in both homogeneous and heterogeneous setups.
Authors: Shangpin Peng, Weinong Wang, Zhuotao Tian, Senqiao Yang, Xing Wu, Haotian Xu, Chengquan Zhang, Takashi Isobe, Baotian Hu, Min Zhang
Abstract: Direct Preference Optimization (DPO) has emerged as a cornerstone of reinforcement learning from human feedback (RLHF) due to its simplicity and efficiency. However, existing DPO-based methods typically treat all preference pairs equally, overlooking substantial variations in data quality and learning difficulty, which leads to inefficient data utilization and suboptimal performance. To address this limitation, we propose Uni-DPO, a unified dynamic preference optimization framework that jointly considers (a) the inherent quality of preference pairs and (b) the model's evolving performance during training. By adaptively reweighting samples based on both factors, Uni-DPO enables more effective use of preference data and achieves superior performance. Extensive experiments across models and benchmarks demonstrate the effectiveness and generalization of Uni-DPO. On textual tasks, Gemma-2-9B-IT fine-tuned with Uni-DPO surpasses the leading LLM, Claude 3 Opus, by 6.7 points on Arena-Hard. On mathematical and multimodal tasks, Uni-DPO consistently outperforms baseline methods across all benchmarks, providing strong empirical evidence of its effectiveness and robustness.
Authors: Federico Pennino, Bianca Raimondi, Massimo Rondelli, Andrea Gurioli, Maurizio Gabbrielli
Abstract: Generating accurate and executable code using Large Language Models (LLMs) remains a significant challenge for underrepresented programming languages, such as Prolog and Lisp, due to the scarcity of public training data compared to high-resource languages like Python. This paper introduces a generalizable Reinforcement Learning (RL) approach that combines small-scale versions of the Qwen2.5-Coder model with Group Relative Policy Optimization (GRPO) to enable effective code generation through reasoning. To address the limitations of sparse datasets, we integrate execution-driven feedback directly into the RL loop, utilizing a reward system that exploits both logical correctness and structural formatting. Experimental results on GSM8K dataset demonstrate significant improvements in reasoning quality and code accuracy across underrepresented languages. These findings underscore the potential of our approach to benefit a wide range of programming languages lacking extensive training resources by leveraging symbolic reasoning and interpreter-based feedback.
Authors: Agnideep Aich, Md Monzur Murshed, Bruce Wade, Sameera Hewage
Abstract: Class imbalance remains a practical obstacle in the development of clinical prediction models for conditions such as diabetes mellitus, where the number of confirmed cases is often much smaller than the number of controls. The Synthetic Minority Over-sampling Technique (SMOTE) and its variants are widely used to address this imbalance, but they generate synthetic observations through local interpolation in feature space and do not explicitly model the joint dependence structure of the minority class. To address this challenge, our study introduces a copula-based data augmentation approach that estimates the minority-class dependence structure when generating synthetic samples and integrates with standard machine learning techniques. Specifically, we employ truncated vine copulas to represent multivariate dependence through a sequence of bivariate building blocks. We evaluate the proposed approach on three public diabetes datasets, namely the Pima Indians Diabetes dataset, the Iraqi Diabetes dataset, and the CDC BRFSS 2015 Diabetes Health Indicators dataset, which together cover a range of sample sizes, dimensionalities, and imbalance regimes. For each dataset, five resampling strategies are compared across five classifiers using a 5 by 2 cross validation protocol with Dietterich's paired t test. Our findings suggest that CopulaSMOTE can improve minority-class recovery in larger tabular diabetes datasets, particularly the CDC BRFSS dataset, but its advantages depend on the classifier and evaluation metric.
Authors: Weikang Meng, Yadan Luo, Liangyu Huo, Yingjian Li, Yaowei Wang, Xin Li, Zheng Zhang
Abstract: Linear attention mitigates the quadratic complexity of softmax attention but suffers from a critical loss of expressiveness. We identify two primary causes: (1) The normalization operation cancels the query norm, which breaks the correlation between a query's norm and the spikiness (entropy) of the attention distribution as in softmax attention. (2) Standard techniques for enforcing non-negativity cause destructive information loss by nullifying valid inner-product interactions. To address these challenges, we introduce NaLaFormer, a novel linear attention mechanism built upon a norm$\times$direction (ND) decomposition of the query and key vectors. We leverage each component to solve a distinct problem: The query norm is injected into our kernel to create a query-norm-aware map that restores the attention distribution's spikiness. The direction vectors are processed by a geometric, cosine-based similarity metric that guarantees non-negativity while preserving the rich, fine-grained information of the inner product. We validate NaLaFormer through a comprehensive multi-modal evaluation, where it sets new state-of-the-art benchmarks for linear attention. Our model achieves up to a 7.5% accuracy gain on ImageNet-1K and a 4.7% mIoU improvement on ADE20K over comparable baselines. It demonstrates profound efficiency, reducing peak memory by a transformative 92.3% in token-intensive super-resolution tasks (70K+ tokens). NaLaFormer's versatility is further confirmed as it surpasses strong baselines like Mamba on common-sense reasoning and sets a new state-of-the-art on the Long Range Arena (LRA) benchmark. Code is available at https://github.com/ZacharyMeng/NaLaFormer .
Authors: Irena Girshovitz, Atai Ambus, Moni Shahar, Ran Gilad-Bachrach
Abstract: The reliability of clinical artificial intelligence (AI) depends on high-quality data, yet Electronic Health Records are often inconsistent with existing scientific knowledge. Current quality assessments are limited: they either focus on syntax or rely on labor-intensive manual rules to capture semantic nuances. To overcome these scalability barriers, we propose Medical Data Pecking, a methodology that adopts software unit testing principles for medical data validation. It introduces Semantic Data Coverage, employing Large Language Models to generate context-aware tests that "peck" for inconsistencies between observed data and epidemiological evidence. To demonstrate this methodology, we implemented a reference tool using a Retrieval-Augmented Generation architecture that synthesizes medical literature into executable code. When applied to three datasets, this implementation generated dozens of tests per cohort, identifying discrepancies between observed distributions and epidemiological priors. These discrepancies encompass both genuine data inconsistencies and expected cohort-selection effects. This work provides an initial framework for scalable semantic auditing, shifting assurance from manual rules to the generative and context-sensitive verification required for trustworthy AI.
Authors: Oscar Dowson, Robert B Parker, Russel Bent
Abstract: We present \texttt{MathOptAI.jl}, an open-source Julia library for embedding trained machine learning predictors into a JuMP model. \texttt{MathOptAI.jl} can embed a wide variety of neural networks, decision trees, and Gaussian Processes into a larger mathematical optimization model. In addition to interfacing a range of Julia-based machine learning libraries such as \texttt{Lux.jl} and \texttt{Flux.jl}, \texttt{MathOptAI.jl} uses Julia's Python interface to provide support for PyTorch models. When the PyTorch support is combined with \texttt{MathOptAI.jl}'s gray-box formulation, the function, Jacobian, and Hessian evaluations associated with the PyTorch model are offloaded to the GPU in Python, while the rest of the nonlinear oracles are evaluated on the CPU in Julia. \MathOptAI is available at https://github.com/lanl-ansi/MathOptAI.jl under a BSD-3 license.
Authors: Mengting Pan, Fan Li, Chen Chen, Xiaoyang Wang, Wenjie Zhang
Abstract: Contrastive learning (CL) has become a dominant paradigm for self-supervised hypergraph learning, enabling effective training without costly labels. However, node entities in real-world hypergraphs are often associated with rich textual information, which has been largely ignored in prior works. Directly applying existing CL-based methods to such text-attributed hypergraphs (TAHGs) leads to three key limitations: (1) The common use of graph-agnostic text encoders fails to capture the correlations between textual semantics and hypergraph topology, resulting in less expressive representations. (2) Their reliance on random data augmentations introduces noise and weakens the contrastive signals. (3) The primary focus on node- and hyperedge-level contrastive signals limits the ability to capture long-range dependencies, which is essential for effective representation learning. To address these challenges, we introduce HiTeC, a two-stage hierarchical contrastive learning framework for effective self-supervised learning on TAHGs. In the first stage, we pre-train the text encoder with a structure-aware contrastive objective to overcome the graph-agnostic nature of conventional methods. In the second stage, we begin by introducing semantic-aware augmentations, including structure-contextualized text augmentation and semantic-aware hyperedge dropping, to facilitate informative view generation. Subsequently, we propose a multi-scale contrastive loss with an $s$-walk-based subgraph-level objective to capture long-range dependencies. Extensive experiments on six real-world datasets validate the effectiveness of our proposed method.
Authors: Agustinus Kristiadi
Abstract: Decision theories offer principled methods for making choices under various types of uncertainty. Algorithms that implement these theories have been successfully applied to a wide range of real-world problems, including materials and drug discovery. Indeed, they are desirable since they can adaptively gather information to make better decisions in the future, resulting in data-efficient workflows. In scientific discovery, where experiments are costly, these algorithms can thus significantly reduce the cost of experimentation. Theoretical analyses of these algorithms are crucial for understanding their behavior and providing valuable insights for developing next-generation algorithms. However, theoretical analyses in the literature are often inaccessible to non-experts. This monograph aims to provide an accessible, self-contained introduction to the theoretical analysis of commonly used probabilistic decision-making algorithms, including bandit algorithms, Bayesian optimization, and tree search algorithms. Only basic knowledge of probability theory and statistics, along with some elementary knowledge about Gaussian processes, is assumed.
Authors: Han Chen, Hanchen Wang, Hongmei Chen, Ying Zhang, Lu Qin, Wenjie Zhang
Abstract: The advancement of graph-based malware analysis is critically limited by the absence of large-scale datasets that capture the inherent hierarchical structure of software. Existing methods often oversimplify programs into single level graphs, failing to model the crucial semantic relationship between high-level functional interactions and low-level instruction logic. To bridge this gap, we introduce \dataset, the largest public hierarchical graph dataset for malware analysis, comprising over \textbf{200M} Control Flow Graphs (CFGs) nested within \textbf{595K} Function Call Graphs (FCGs). This two-level representation preserves structural semantics essential for building robust detectors resilient to code obfuscation and malware evolution. We demonstrate HiGraph's utility through a large-scale analysis that reveals distinct structural properties of benign and malicious software, establishing it as a foundational benchmark for the community. The dataset and tools are publicly available at https://higraph.org.
URLs: https://higraph.org.
Authors: Cyrus Cousins, Vijay Keswani, Vincent Conitzer, Hoda Heidari, Jana Schaich Borg, Walter Sinnott-Armstrong
Abstract: Recent AI trends seek to align AI models to learned human-centric objectives, such as personal preferences, utility, or societal values. Using standard preference elicitation methods, researchers and practitioners build models of human decisions and judgments, to which AI models are aligned. However, standard elicitation methods often fail to capture the cognitive processes behind human decision making, such as heuristics or simplifying structured thought patterns. To address this failure, we take an axiomatic approach to learning cognitively faithful decision processes from pairwise comparisons. Building on the literature analyzing cognitive processes that shape human decision-making, we derive a model class in which features are first processed with learned rules, then aggregated via a fixed rule, such as the Bradley-Terry rule, to produce a decision. This structured processing of information ensures that such models are realistic and feasible candidates to represent underlying human decision-making processes. We demonstrate the efficacy of this modeling approach by learning interpretable models of human decision making in a kidney allocation task, and show that our proposed models match or surpass the accuracy of prior models of human pairwise decision-making.
Authors: Hunjae Lee, Corey Clark
Abstract: Standard attention mechanisms in transformers employ static token representations that remain unchanged across all pair-wise computations in each layer. This limits their representational alignment with the potentially diverse relational dynamics of each token-pair interaction. While they excel in domains with relatively homogeneous relationships, standard attention's static relational learning struggles to capture the diverse, heterogeneous inter-channel dependencies of multivariate time series (MTS) data--where different channel-pair interactions within a single system may be governed by entirely different physical laws or temporal dynamics. To better align the attention mechanism for such domain phenomena, we propose attention with dynamic relational priming (prime attention). Unlike standard attention where each token presents an identical representation across all of its pair-wise interactions, prime attention tailors each token dynamically (or per interaction) through learnable modulations to best capture the unique relational dynamics of each token pair, optimizing each pair-wise interaction for that specific relationship. This representational plasticity of prime attention enables effective extraction of relationship-specific information in MTS while maintaining the same asymptotic computational complexity as standard attention. Our results demonstrate that prime attention consistently outperforms standard attention across benchmarks, achieving up to 6.5\% improvement in forecasting accuracy. In addition, we find that prime attention achieves comparable or superior performance using up to 40\% less sequence length compared to standard attention, further demonstrating its superior relational modeling capabilities.
Authors: Niruthiha Selvanayagam, Ted Kurti
Abstract: As Large Multimodal Models (LMMs) become integral to daily digital life, understanding their safety architectures is a critical problem for AI Alignment. This paper presents a systematic analysis of OpenAI's GPT-4o mini, a globally deployed model, on the difficult task of multimodal hate speech detection. Using the Hateful Memes Challenge dataset, we conduct a multi-phase investigation on 500 samples to probe the model's reasoning and failure modes. Our central finding is the experimental identification of a "Unimodal Bottleneck," an architectural flaw where the model's advanced multimodal reasoning is systematically preempted by context-blind safety filters. A quantitative validation of 144 content policy refusals reveals that these overrides are triggered in equal measure by unimodal visual 50% and textual 50% content. We further demonstrate that this safety system is brittle, blocking not only high-risk imagery but also benign, common meme formats, leading to predictable false positives. These findings expose a fundamental tension between capability and safety in state-of-the-art LMMs, highlighting the need for more integrated, context-aware alignment strategies to ensure AI systems can be deployed both safely and effectively.
Authors: Xinwen Zhang, Yihan Zhang, Heng Liang, Hongchang Gao
Abstract: Existing decentralized stochastic optimization methods assume the lower-level loss function is strongly convex and the stochastic gradient noise has finite variance. These strong assumptions typically are not satisfied in real-world machine learning models. For example, learning on language data typically leads to heavy-tailed gradient. To address these limitations, we develop a novel decentralized stochastic bilevel optimization algorithm for the nonconvex bilevel optimization problem under heavy-tailed noise. Specifically, we develop a normalized stochastic variance-reduced bilevel gradient descent algorithm, which does not rely on any clipping operation. Moreover, we establish its convergence rate by innovatively bounding interdependent gradient sequences under heavy-tailed noise for nonconvex decentralized bilevel optimization problems. As far as we know, this is the first decentralized bilevel optimization algorithm with rigorous theoretical guarantees under heavy-tailed noise. The extensive experimental results confirm the effectiveness of our algorithm in handling heavy-tailed noise.
Authors: M. Giselle Fern\'andez-Godino, Meir H. Shachar, Kevin Korner, Jonathan L. Belof, Mukul Kumar, Jonathan Lind, William J. Schill
Abstract: Predicting the extreme hydrodynamic response of porous and architected lattice materials is a fundamental challenge in high energy density physics, where shock-induced pore collapse, baroclinic vorticity, and anomalous kinetic and thermodynamic states must be resolved across multiple scales. Traditional high-fidelity hydrocodes are computationally prohibitive for large-scale design exploration in applications like planetary defense and inertial confinement fusion. We present a multi-field spatio-temporal model (MSTM) designed to overcome the limitations of standard machine learning surrogates, which often fail to capture the sharp gradients and non-linear field couplings characteristic of shock propagation. By training on high-fidelity, multiscale multiphysics data, MSTM simultaneously evolves seven coupled thermodynamic and kinetic fields - including pressure, temperature, density, and velocity - across complex material architectures. Our framework demonstrates the ability to accurately predict anomalous responses, such as counterintuitive post-shock density reductions and localized hotspot formation, with mean root mean squared errors as low as 1.4%. Crucially, the model's multi-field formulation maintains physical consistency and interface stability over long autoregressive rollouts, outperforming single-field models by 94% in structural fidelity. This framework enables a 1000x reduction in time to solution, providing a practical pathway for the real-time analysis and optimization of energy dissipation and momentum transfer in meso-structured media.
Authors: Ke Li, Zheng Yang, Zhongbin Zhou, Feng Xue, Zhonglin Jiang, Wenxiao Wang
Abstract: Mixture-of-Experts (MoE) architectures in large language models (LLMs) deliver exceptional performance and reduced inference costs compared to dense LLMs. However, their large parameter counts result in prohibitive memory requirements, limiting practical deployment. While existing pruning methods primarily focus on expert-level pruning, this coarse granularity often leads to substantial accuracy degradation. In this work, we introduce HEAPr, a novel pruning algorithm that decomposes experts into smaller, indivisible atomic experts, enabling more precise and flexible atomic expert pruning. To measure the importance of each atomic expert, we leverage second-order information based on principles similar to the Optimal Brain Surgeon theory. To address the computational and storage challenges posed by second-order information, HEAPr exploits the inherent properties of atomic experts to transform the second-order information from expert parameters into that of atomic expert parameters, and further simplifies it to the second-order information of atomic expert outputs. This approach reduces the space complexity from $O(d^4)$, where $d$ is the model's dimensionality, to $O(d^2)$. HEAPr requires only two forward passes and one backward pass on a small calibration set to compute the importance of atomic experts. Extensive experiments on MoE models, including DeepSeek MoE and Qwen MoE family, demonstrate that HEAPr outperforms existing expert-level pruning methods across a wide range of pruning ratios and benchmarks. Specifically, HEAPr achieves nearly lossless compression at pruning ratios of 20% ~ 25% in most models, while also reducing FLOPs nearly by 20%. The code can be found at [https://github.com/LLIKKE/HEAPr](https://github.com/LLIKKE/HEAPr).
URLs: https://github.com/LLIKKE/HEAPr](https://github.com/LLIKKE/HEAPr).
Authors: Changliang Zhou, Canhong Yu, Shunyu Yao, Xi Lin, Zhenkun Wang, Yu Zhou, Qingfu Zhang
Abstract: Multi-task neural routing solvers have emerged as a promising paradigm for their ability to solve multiple vehicle routing problems (VRPs) using a single model. However, existing neural solvers typically rely on predefined problem constraints or require per-problem fine-tuning, which substantially limits their zero-shot generalization ability to unseen VRP variants. To address this critical bottleneck, we propose URS, a unified neural routing solver that achieves zero-shot generalization across a wide range of unseen VRPs with a single model. We propose a unified data representation (UDR) that replaces problem enumeration with data unification, thereby broadening the problem coverage and reducing reliance on domain expertise. In addition, we introduce a Mixed Bias Module (MBM) during encoding to improve node embeddings, which efficiently captures multiple priors inherent to various problems. On top of the UDR, we develop a problem-conditioned parameter generator to further improve zero-shot generalization. Extensive experiments show that URS consistently produces high-quality solutions for 110 VRP variants (including 99 unseen variants) while demonstrating impressive scalability to large-scale instances with up to 7000 nodes. To the best of our knowledge, URS is the first neural solver to handle over 100 VRP variants with a single model. Our code is available at https://github.com/CIAM-Group/URS.
Authors: Wenzhi Fang, Dong-Jun Han, Liangqi Yuan, Evan Chen, Christopher Brinton
Abstract: Device-cloud collaboration holds promise for deploying large language models (LLMs), leveraging lightweight on-device models for efficiency while relying on powerful cloud models for superior reasoning. A central challenge in this setting is determining, for each incoming query, whether it should be processed locally or offloaded to the cloud. Existing approaches typically rely on external routers, which often struggle to determine difficulty from the prompt itself, especially for tasks involving complex reasoning. Motivated by this limitation, we propose enabling on-device LLMs to decide internally whether to invoke cloud assistance at inference time, with this capability instilled through reinforcement learning based post-training. Casting on-device LLM post-training as a reward maximization problem, we design hierarchical rewards to encourage local problem solving and judicious cloud offloading. To solve the resulting problem, we develop an algorithm featuring a group-level policy gradient that stabilizes optimization, together with adaptive prompt filtering that provides complementary learning signals to mitigate policy collapse (i.e., exclusive local execution or exclusive cloud offloading). Extensive experiments on on-device-scale LLaMA and Qwen models across multiple reasoning benchmarks show that our method consistently outperforms baselines and significantly narrows the gap to full cloud LLMs.
Authors: Robert Kasumba, Zeyu Lu, Dom CP Marticorena, Mingyang Zhong, Paul Beggs, Anja Pahor, Geetha Ramani, Imani Goffney, Susanne M Jaeggi, Aaron R Seitz, Jacob R Gardner, Dennis L Barbour
Abstract: This study uses controlled simulations with known ground-truth parameters to evaluate how Distributional Latent Variable Models (DLVM) and Bayesian Distributional Active LEarning (DALE) perform in comparison to conventional Independent Maximum Likelihood Estimation (IMLE). DLVM integrates observations across multiple executive function tasks and individuals, allowing parameter estimation even under sparse or incomplete data conditions. To establish known-ground truth, we uniformly sample individual sessions from a neural network learned latent space and map them to distributional cognitive performance across different tasks. The individual test-items are then sampled from these distributions using either DALE, random procedure or a standard fixed battery approach. When given the same set of observations, DLVM consistently outperformed IMLE, especially under smaller amounts of data, and converges faster to highly accurate estimates of the true distributions. In a second set of analyses, DALE adaptively guided sampling to maximize information gain, outperforming random sampling and fixed test batteries, particularly within the first 80 trials. These findings establish the advantages of combining DLVM's cross-task inference with DALE's optimal adaptive sampling, providing a principled basis for more efficient cognitive assessments.
Authors: Yanbo Xu, Yu Wu, Sungjae Park, Zhizhuo Zhou, Shubham Tulsiani
Abstract: We present a mechanism to steer the sampling diversity of denoising diffusion and flow matching models, allowing users to sample from a sharper or broader distribution than the training distribution. We build on the observation that these models leverage (learned) score functions of noisy data distributions for sampling and show that rescaling these allows one to effectively control a 'local' sampling temperature. Notably, this approach does not require any finetuning or alterations to training strategy, and can be applied to any off-the-shelf model and is compatible with both deterministic and stochastic samplers. We first validate our framework on toy 2D data, and then demonstrate its application for diffusion models trained across five disparate tasks -- image generation, pose estimation, depth prediction, robot manipulation, and protein design. We find that across these tasks, our approach allows sampling from sharper (or flatter) distributions, yielding performance gains e.g., depth prediction models benefit from sampling more likely depth estimates, whereas image generation models perform better when sampling a slightly flatter distribution.
Authors: Jaeyeon Kim, Seunggeun Kim, Taekyun Lee, David Z. Pan, Hyeji Kim, Sham Kakade, Sitan Chen
Abstract: A natural desideratum for generative models is self-correction--detecting and revising low-quality tokens at inference. While Masked Diffusion Models (MDMs) have emerged as a promising approach for generative modeling in discrete spaces, their capacity for self-correction remains poorly understood. Prior attempts to incorporate self-correction into MDMs either require overhauling MDM architectures/training or rely on imprecise proxies for token quality, limiting their applicability. Motivated by this, we introduce PRISM--Plug-in Remasking for Inference-time Self-correction of Masked Diffusions--a lightweight, model-agnostic approach that applies to any pretrained MDM. Theoretically, PRISM defines a self-correction loss that provably learns per-token quality scores, without RL or a verifier. These quality scores are computed in the same forward pass with MDM and used to detect low-quality tokens. Empirically, PRISM advances MDM inference across domains and scales: Sudoku; unconditional text (170M); and code with LLaDA (8B).
Authors: Nishanth Shetty, Madhava Prasath, Chandra Sekhar Seelamantula
Abstract: Exponentiated gradient descent (EGD), a biologically motivated optimisation algorithm that respects Dale's law, produces log-normally distributed synaptic weights at convergence, in alignment with experimental observations in neuroscience. Since the marginal distribution of geometric Brownian motion (GBM) at any fixed time is log-normal, this convergence property reveals a natural connection between EGD and GBM-based stochastic processes. We propose a multiplicative score-based generative model with GBM as a forward noising process and derive its corresponding reverse-time SDE in both the ambient space and in the $\log$-transformed space. We derive two multiplicative samplers by discretising the corresponding reverse-time SDEs: a sign-agnostic sampler obtained directly from the ambient-space reverse-time SDE, and a sign-preserving sampler, which we refer to as the Dale-Langevin sampler, obtained via the Lamperti transform. We connect the framework to Mirrored Langevin Dynamics, showing that the convex function driving EGD in optimisation precisely governs the Dale-Langevin sampler. While the standard Stein score, defined as $\nabla \log p_{\boldsymbol{X}}(\boldsymbol{x})$ for a random vector $\boldsymbol{X}$ evaluated at $\boldsymbol{x}$, comes up naturally in the additive noise based diffusion models, in the multiplicative setting, we encounter a modified version of the Stein score for sampling, which we refer to as the {\it Hyv\"arinen score}: $\boldsymbol{x} \circ \nabla \log p_{\boldsymbol{X}}(\boldsymbol{x})$. To estimate the score, we propose a new multiplicative denoising score-matching objective (M-DSM), prove its equivalence to the multiplicative explicit score-matching loss and show that it subsumes the non-negative score matching loss. Experimental results on MNIST, Fashion-MNIST, Kuzushiji-MNIST, and CIFAR-10 to validate the generative capability of the proposed framework.
Authors: Aditya Desai, Kumar Krishna Agrawal, Shuo Yang, Alejandro Cuadron, Luis Gaspar Schroeder, Matei Zaharia, Joseph E. Gonzalez, Ion Stoica
Abstract: State-of-the-art sparse attention methods for reducing decoding latency fall into two main categories: approximate top-$k$ (and its extension, top-$p$) and recently introduced sampling-based estimation. However, these approaches are fundamentally limited in their ability to approximate full attention: they fail to provide consistent approximations across heads and query vectors and, most critically, lack guarantees on approximation quality, limiting their practical deployment. We observe that top-$k$ and random sampling are complementary: top-$k$ performs well when attention scores are dominated by a few tokens, whereas random sampling provides better estimates when attention scores are relatively uniform. Building on this insight and leveraging the statistical guarantees of sampling, we introduce vAttention, the first practical sparse attention mechanism with user-specified $(\epsilon, \delta)$ guarantees on approximation accuracy (thus, "verified"). These guarantees make vAttention a compelling step toward practical, reliable deployment of sparse attention at scale. By unifying top-$k$ and sampling, vAttention outperforms both individually, delivering a superior quality-efficiency trade-off. Our experiments show that vAttention significantly improves the quality of sparse attention (e.g., $\sim$4.5 percentage points for Llama 3.1 8B Instruct and DeepSeek-R1-Distill-Llama-8B on RULER-HARD), and effectively bridges the gap between full and sparse attention (e.g., across datasets, it matches full model quality with up to 20x sparsity). We also demonstrate that it can be deployed in reasoning scenarios to achieve fast decoding without compromising model quality (e.g., vAttention achieves full model quality on AIME2024 at 10x sparsity with up to 32K token generations). Code: https://github.com/skylight-org/sparse-attention-hub. Webpage: https://sky-light.eecs.berkeley.edu.
URLs: https://github.com/skylight-org/sparse-attention-hub., https://sky-light.eecs.berkeley.edu.
Authors: Udbhav Bamba, Minghao Fang, Yifan Yu, Haizhong Zheng, Fan Lai
Abstract: Reinforcement learning algorithms such as GRPO have driven recent advances in large language model (LLM) reasoning. While scaling the number of rollouts stabilizes training, existing approaches suffer from limited exploration on challenging prompts and leave informative feedback signals underexploited, due to context-independent rollout allocation across prompts (e.g., generating 16 rollouts per prompt) and relying heavily on sparse rewards. This paper presents XRPO(eXplore - eXploit GRPO), a unified framework that recasts policy optimization through the principled lens of rollout exploration-exploitation. To enhance exploration, XRPO introduces a mathematically grounded rollout allocator that adaptively prioritizes prompts with higher potential for uncertainty reduction. It further addresses stagnation on zero-reward prompts through an in-context seeding strategy that injects curated exemplars, steering the model into more difficult reasoning trajectories. To strengthen exploitation, XRPO develops a group-relative, novelty-aware advantage sharpening mechanism that leverages sequence likelihoods to amplify low-probability yet correct responses, thereby extending the policy's reach beyond sparse rewards. Experiments across diverse math and coding benchmarks on both reasoning and non-reasoning models demonstrate that XRPO outperforms existing advances (e.g., GRPO and GSPO) up to 4% pass@1 and 6% cons@32, while accelerating training convergence by up to 2.7X.
Authors: Evgenii Opryshko, Junwei Quan, Claas Voelcker, Yilun Du, Igor Gilitschenski
Abstract: Offline goal-conditioned reinforcement learning (GCRL) often struggles with long-horizon tasks, where errors in value estimation accumulate and produce unreliable policies. It is typically assumed that effective long-term planning is infeasible without specialized training. In contrast, our work demonstrates that existing GCRL policies can complete long-horizon tasks when combined with a lightweight, training-free planning wrapper. We find that standard goal-conditioned value functions encode locally consistent geometric structure sufficient for planning. Our approach, Test-Time Graph Search (TTGS), constructs a graph over the offline dataset and employs an adaptive subgoal selection strategy. To address unreliable value estimates during shortest-path search, we propose a novel mechanism that softly penalizes long-distance transitions. Our method incurs negligible computational overhead and requires no additional supervision or parameter updates. On the OGBench benchmark, TTGS significantly boosts success rates across multiple base learners and tasks, with primary gains on challenging long-horizon locomotion tasks where some success rates are improved from near-zero to over 90\%, often matching or outperforming methods that require complex auxiliary training. Code and videos can be found at https://ktolnos.github.io/ttgs.
Authors: Daniel Jason Tan, Jiayang Chen, Dilruk Perera, Kay Choong See, Mengling Feng
Abstract: Objective: Enteral nutrition (EN) delivery in the ICU remains suboptimal due to limited personalization and uncertainty regarding appropriate calorie, protein, and fluid targets under dynamic metabolic demands. We introduce DeepEN, a reinforcement learning (RL) framework for personalized EN optimization using electronic health record data. Methods: DeepEN was trained on over 11,000 ICU patients from MIMIC-IV to generate 4-hourly, patient-specific caloric, protein, and fluid targets. The state representation incorporated demographics, comorbidities, vital signs, laboratory values, and recent interventions. A physiologically aligned reward framework balanced biomarker stability with long-term survival. Policy learning employed a dueling double deep Q-network with Conservative Q-Learning regularization to enable safe offline training. Results: DeepEN achieved the highest estimated policy value ($V^\pi = 9.48$) and the lowest calibrated mortality (18.8 +/- 1.0%), representing a 4.0 percentage-point absolute reduction compared with clinician practice (22.8%). The policy also demonstrated superior metabolic stability, achieving the highest proportion of glucose, phosphate, and sodium values within target range. Furthermore, deviation from the DeepEN policy was independently associated with increased mortality and biomarker instability, whereas deviation from a random policy showed no such association. Interpretability analyses further indicated that recommendations were conditioned on physiologically relevant markers of organ function and metabolic status rather than static dosing heuristics. Conclusion: DeepEN demonstrates the feasibility of conservative offline RL for safe, individualized EN optimization, highlighting the potential of data-driven personalization to complement guideline-based approaches in critical care.
Authors: Zhilin Li, Zhou Yao, Xianglong Li, Zeng Liu, Zhaokuan Lu, Shanlin Xu, Seungnam Kim, Guangyao Wang
Abstract: Ensemble-based data assimilation (DA) methods have become increasingly popular due to their inherent ability to address nonlinear dynamic problems. However, these methods often face a trade-off between analysis accuracy and computational efficiency, as larger ensemble sizes required for higher accuracy also lead to greater computational cost. In this study, we propose a novel machine learning-based data assimilation approach that combines the traditional ensemble Kalman filter (EnKF) with a fully connected neural network (FCNN). Specifically, our method uses a relatively small ensemble size to generate preliminary yet suboptimal analysis states via EnKF. A FCNN is then employed to learn and predict correction terms for these states, thereby mitigating the performance degradation induced by the limited ensemble size. We evaluate the performance of our proposed EnKF-FCNN method through numerical experiments involving Lorenz systems and nonlinear ocean wave field simulations. The results consistently demonstrate that the new method achieves higher accuracy than traditional EnKF with the same ensemble size, while incurring negligible additional computational cost. Moreover, the EnKF-FCNN method is adaptable to diverse applications through coupling with different models and the use of alternative ensemble-based DA methods.
Authors: Tomer Lavi, Bracha Shapira, Nadav Rappoport
Abstract: Ensuring that predicted probabilities align with observed frequencies is critical in high-stakes domains such as clinical decision support, autonomous driving and financial risk assessment. Existing calibration methods typically apply a single global transformation or rely on post-hoc binning over predicted confidences, limiting their ability to exploit heterogeneous reliability across sub-populations. We propose Clustered Calibration, a representation-aware framework that identifies sub-populations via clustering in learned feature spaces (e.g., coverage vectors, SHAP values, CNN activations, Transformer embeddings) and fits a soft mixture of cluster-specific parametric calibrators under hierarchical shrinkage toward a global mapping. This design yields context-specific calibration while maintaining global stability. Across six tabular datasets and additional image and text benchmarks, clustered calibration consistently improves or matches strong global calibrators in terms of negative log-likelihood and Brier score, while preserving AUC and accuracy. We further show, both analytically and empirically, that fixed-bin Expected Calibration Error (ECE) can mis-rank soft, region-aware calibrators even when proper scoring rules improve, and we advocate for log-loss and Brier as more reliable bases for model selection in such settings.
Authors: Rui Zhu, Song-Lin Lv, Zi-Kang Wang, Lan-Zhe Guo
Abstract: Exploiting unlabeled data through semi-supervised learning (SSL) or leveraging pre-trained models via fine-tuning are two prevailing paradigms for addressing label-scarce scenarios. Recently, growing attention has been given to combining fine-tuning of pre-trained vision-language models (VLMs) with SSL, forming the emerging paradigm of semi-supervised fine-tuning. However, existing methods often suffer from model bias and hyperparameter sensitivity, due to reliance on prediction consistency or pre-defined confidence thresholds. To address these limitations, we propose a simple yet effective plug-and-play methodology named $\underline{\textbf{Bi-Co}}$nsistency-$\underline{\textbf{G}}$uided Self-Training (Bi-CoG), which assigns high-quality and low-bias pseudo-labels, by simultaneously exploiting inter-model and intra-model consistency, along with an error-aware dynamic pseudo-label assignment strategy. Both theoretical analysis and extensive experiments over 14 datasets demonstrate the effectiveness of Bi-CoG, which consistently and significantly improves the performance of existing methods.
Authors: Jeff Pflueger, Michael Everett
Abstract: Safe decision-making algorithms for control of mobile robots often require the existence of feedback to verify the safety of proposed actions. This feedback is assumed to be directly available during the development or deployment of the control system. It can take the form of either an explicit constraint formulation or a set of hand-labeled safety data, both of which can be inaccurate or time consuming to produce. Many recently developed simulators can handle complex interactions and varied environments. These environments have implicit safety constraints that may be hard to model. By leveraging one of these simulators, we can construct a proxy for a safety function that bypasses the need for hand designed feedback in capturing these constraints. We present an algorithm that approximates safety by using reversibility and a positive-invariance assumption on the unsafe state space. This method employs the Model-Predictive Path Integral algorithm (MPPI) to establish this reversibility and verify a proposed action. First the action is projected via the simulator to a future state. Then if MPPI can find a path back to a previous state in the trajectory, that state is guaranteed to be outside the unsafe (positive invariant) set. Experimental results demonstrate that the proposed algorithm can approximate the performance of a safety oracle while avoiding classification of unsafe states as safe.
Authors: Javad Parsa, Amir Hossein Daghestani, Andr\'e M. H. Teixeira, Mikael Johansson
Abstract: Federated Learning (FL) enables clients to collaboratively train a global model without sharing their private data. However, the presence of malicious (Byzantine) clients poses significant challenges to the robustness of FL, particularly when data distributions across clients are heterogeneous. In this paper, we propose a novel Byzantine-robust FL optimization problem that incorporates adaptive weighting into the aggregation process. Unlike conventional approaches, our formulation treats aggregation weights as learnable parameters, jointly optimizing them alongside the global model parameters. To solve this optimization problem, we develop an alternating minimization algorithm with strong convergence guarantees under adversarial attack. We analyze the Byzantine resilience of the proposed objective. We evaluate the performance of our algorithm against state-of-the-art Byzantine-robust FL approaches across various datasets and attack scenarios. Experimental results demonstrate that our method consistently outperforms existing approaches, particularly in settings with highly heterogeneous data and a large proportion of malicious clients.
Authors: Matan Schliserman, Shira Vansover-Hager, Tomer Koren
Abstract: Understanding the generalization behavior of learning algorithms is a central goal of learning theory. A recently emerging explanation is that learning algorithms are successful in practice because they converge to flat minima, which have been consistently associated with improved generalization performance. In this work, we study the link between flat minima and generalization in the canonical setting of stochastic convex optimization with a non-negative, $\beta$-smooth objective. Our first finding is that, even in this fundamental and well-studied setting, flat empirical minima may incur trivial $\Omega(1)$ population risk while sharp minima generalizes optimally. Then, we show that this poor generalization behavior extends to two natural ''sharpness-aware'' algorithms originally proposed by Foret et al. (2021), designed to bias optimization toward flat solutions: Sharpness-Aware Gradient Descent (SA-GD) and Sharpness-Aware Minimization (SAM). For SA-GD, which performs gradient steps on the maximal loss in a predefined neighborhood, we prove that while it successfully converges to a flat minimum at a fast rate, the population risk of the solution can still be as large as $\Omega(1)$, indicating that even flat minima found algorithmically using a sharpness-aware gradient method might generalize poorly. For SAM, a computationally efficient approximation of SA-GD based on normalized ascent steps, we show that although it minimizes the empirical loss, it may converge to a sharp minimum and also incur population risk $\Omega(1)$. Finally, we establish population risk upper bounds for both SA-GD and SAM using algorithmic stability techniques.
Authors: Jayden Teoh, Manan Tomar, Kwangjun Ahn, Edward S. Hu, Tim Pearce, Pratyusha Sharma, Akshay Krishnamurthy, Riashat Islam, Alex Lamb, John Langford
Abstract: Transformers replace recurrence with a memory that grows with sequence length and self-attention that enables ad-hoc lookups over past tokens. Consequently, they lack an inherent incentive to compress history into compact latent states with consistent transition rules. This often leads to learning solutions that generalize poorly. We introduce Next-Latent Prediction (NextLat), which extends standard next-token training with self-supervised predictions in the latent space. Specifically, NextLat trains a transformer to learn latent representations that are predictive of its next latent state given the next token. Theoretically, we show that these latents provably converge towards belief states, compressed information about the history necessary to predict the future. This simple auxiliary objective injects a recurrent inductive bias into transformers while leaving their architecture, parallel training efficiency, and inference unchanged. NextLat effectively encourages transformers to form compact internal world models with coherent belief states and transition dynamics -- crucial properties not guaranteed by standard next-token prediction alone. Empirically, across benchmarks in world modeling, reasoning, planning, and language modeling, NextLat demonstrates significant gains over standard next-token prediction and other baselines in downstream accuracy, representation compression, and lookahead planning. Furthermore, NextLat enables variable-length self-speculative decoding, accelerating inference by up to 3.3x in language modeling. NextLat offers a simple yet effective paradigm for learning compact, predictive representations in transformers that generalize better. Our code is available at https://github.com/microsoft/NextLat.
Authors: Anthony Baez, Wang Zhang, Ziwen Ma, Lam Nguyen, Subhro Das, Luca Daniel
Abstract: We propose a novel projection method that guarantees the conservation of integral quantities in Physics-Informed Neural Networks (PINNs). While the soft constraint that PINNs use to enforce the structure of partial differential equations (PDEs) enables necessary flexibility during training, it also permits the discovered solution to violate physical laws. To address this, we introduce a projection method that guarantees the conservation of the linear and quadratic integrals, both separately and jointly. We derived the projection formulae by solving constrained non-linear optimization problems and found that our PINN modified with the projection, which we call PINN-Proj, reduced the error in the conservation of these quantities by three to four orders of magnitude compared to the soft constraint and marginally reduced the PDE solution error. We also found evidence that the projection improved convergence through improving the conditioning of the loss landscape. Our method holds promise as a general framework to guarantee the conservation of any integral quantity in a PINN if a tractable solution exists.
Authors: Sithumi Wickramasinghe, Bikramjit Das, Dorien Herremans
Abstract: Bitcoin mining hardware acquisition requires strategic timing due to volatile markets, rapid technological obsolescence, and protocol-driven revenue cycles. Despite mining's evolution into a capital-intensive industry, there is little guidance on when to purchase new Application-Specific Integrated Circuit (ASIC) hardware, and no prior computational frameworks address this decision problem. We address this gap by formulating hardware acquisition as a time series classification task, predicting whether purchasing ASIC machines yields profitable (Return on Investment (ROI) >= 1), marginal (0 < ROI < 1), or unprofitable (ROI <= 0) returns within one year. We propose MineROI-Net, an open-source Transformer-based architecture designed to capture multi-scale temporal patterns in mining profitability. Evaluated on data from 20 ASIC miners released between 2015 and 2024 across diverse market regimes, MineROI-Net outperforms recurrent, convolutional, and attention-based baselines, achieving 83.2% accuracy and 83.5% macro F1-score. The model demonstrates strong economic relevance, achieving 97.8% precision in detecting unprofitable periods and 81.5% precision in detecting profitable ones, while avoiding misclassifying profitable scenarios as unprofitable and vice versa. These results indicate that MineROI-Net offers a practical, data-driven tool for timing mining hardware acquisitions, potentially reducing financial risk in capital-intensive mining operations.
Authors: Florent Draye, Anson Lei, Hsiao-Ru Pan, Ingmar Posner, Bernhard Sch\"olkopf
Abstract: We introduce a simple post-training method that makes transformer attention sparse without sacrificing performance. Applying a flexible sparsity regularisation under a constrained-loss objective, we show on models up to 7B parameters that it is possible to retain the original pretraining loss while reducing attention connectivity to $\approx 0.4 \%$ of its edges. Unlike sparse-attention methods designed for computational efficiency, our approach leverages sparsity as a structural prior: it preserves capability while exposing a more organized and interpretable connectivity pattern. We find that this local sparsity cascades into global circuit simplification: task-specific circuits involve far fewer components (attention heads and MLPs) with up to 100x fewer edges connecting them. Additionally, using cross-layer transcoders, we show that sparse attention substantially simplifies attention attribution, enabling a unified view of feature-based and circuit-based perspectives. These results demonstrate that transformer attention can be made orders of magnitude sparser, suggesting that much of its computation is redundant and that sparsity may serve as a guiding principle for more structured and interpretable models.
Authors: Mathieu Blondel, Michael E. Sander, Germain Vivier-Ardisson, Tianlin Liu, Vincent Roulet
Abstract: Autoregressive models (ARMs) currently constitute the dominant paradigm for large language models (LLMs). Energy-based models (EBMs) represent another class of models, which have historically been less prevalent in LLM development, yet naturally characterize the optimal policy in post-training alignment. In this paper, we provide a unified view of these two model classes. Taking the chain rule of probability as a starting point, we establish an explicit bijection between ARMs and EBMs in function space, which we show to correspond to a special case of the soft Bellman equation in maximum entropy reinforcement learning. Building upon this bijection, we derive the equivalence between supervised learning of ARMs and EBMs. Furthermore, we analyze the distillation of EBMs into ARMs by providing theoretical error bounds. Our results provide insights into the ability of ARMs to plan ahead, despite being based on the next-token prediction paradigm.
Authors: Danny Dongyeop Han, Yonghyeon Gwon, Ahhyun Lucy Lee, Taeyang Lee, Seong Jin Lee, Jubin Choi, Sebin Lee, Jihyun Bang, Seungju Lee, David Keetae Park, Shinjae Yoo, Chun Kee Chung, Jiook Cha
Abstract: Intracranial EEG (iEEG) provides direct, millisecond-scale recordings of human neural activity, but reusable representation learning is difficult because electrode layouts, anatomical coverage, referencing schemes, and recording conditions vary across patients and centers. We introduce DIVER-1, a self-supervised iEEG foundation model for variable-input recordings that combines any-variate electrode-time attention, spatio-temporal resampling, input-conditioned positional embeddings, and multi-domain masked reconstruction without assuming a fixed electrode montage. We pretrain two variants, DIVER-1-0.1s and DIVER-1-1s, on 5,310 hours of ECoG and SEEG spanning 352k channel-hours, roughly 54x the BrainTreeBank-based pretraining volume. We evaluate DIVER-1 on two held-out benchmarks: Neuroprobe for naturalistic cognitive decoding and MAYO for seizure detection. On leakage-aware Neuroprobe, DIVER-1-0.1s outperforms prior evaluated iEEG foundation models despite using no BrainTreeBank recordings, the corpus underlying Neuroprobe, during pretraining; it also exceeds the linear spectrogram decoder in mean AUROC and remains competitive with stronger nonlinear baselines, a level prior evaluated iEEG foundation models did not reach. DIVER-1-1s also achieves the top AUROC on MAYO seizure detection. Finally, we conduct, to our knowledge, the first controlled compute-aware scaling study for self-supervised iEEG pretraining, sweeping data scale, subject count, training duration, and model size up to 1.8B parameters. Our results indicate a data-constrained regime: expanding unique recordings and training sufficiently long are more reliable scaling axes than increasing parameter count alone. Code is available at link.
Authors: Mingue Park, Jisung Hwang, Seungwoo Yoo, Kyeongmin Yeo, Minhyuk Sung
Abstract: We introduce $\texttt{PairFlow}$, a lightweight preprocessing step for training Discrete Flow Models (DFMs) to achieve few-step sampling without requiring a pretrained teacher. DFMs have recently emerged as a new class of generative models for discrete data, offering strong performance. However, they suffer from slow sampling due to their iterative nature. Existing acceleration methods largely depend on finetuning, which introduces substantial additional training overhead. $\texttt{PairFlow}$ addresses this issue with a lightweight preprocessing step. Inspired by ReFlow and its extension to DFMs, we train DFMs from coupled samples of source and target distributions, without requiring any pretrained teacher. At the core of our approach is a closed-form inversion for DFMs, which allows efficient construction of paired source-target samples. Despite its extremely low cost, taking only up to 1.7% of the compute needed for full model training, $\texttt{PairFlow}$ matches or even surpasses the performance of two-stage training involving finetuning. Furthermore, models trained with our framework provide stronger base models for subsequent distillation, yielding further acceleration after finetuning. Experiments on molecular data as well as binary and RGB images demonstrate the broad applicability and effectiveness of our approach.
Authors: Ronald Katende
Abstract: We develop a finite-dimensional sensitivity framework for studying stability in learning systems whose states include representations, parameters, and update variables. The central object is the \emph{Learning Stability Profile}, a collection of directional sensitivity operators that records how perturbations in inputs, parameter initialization, and update mechanisms propagate along a specified learning trajectory. The main result is a Lyapunov criterion for controlling this profile. Under explicit regularity, coercivity, and dissipation assumptions, an incremental Lyapunov energy yields uniform or exponentially decaying bounds on the associated linearized transition operators. The result is stated as a sufficient stability criterion, not as an unconditional converse theorem. The framework also distinguishes terminal decay, profile-wise boundedness, and subexponential growth, avoiding the identification of nonpositive growth exponents with uniform boundedness. The profile is then specialized to several standard learning mechanisms. Spectral bounds give forward sensitivity estimates for feedforward networks. Dissipativity and step-size restrictions give stability bounds for residual architectures. Mean-square contraction assumptions yield parameter and update sensitivity bounds for stochastic gradient methods. Locally Lipschitz systems, including piecewise-linear networks, proximal maps, projected updates, and recurrent or state-space recursions, are handled through Clarke generalized Jacobians and variational Lyapunov inequalities. The resulting framework provides a common stability language for architecture, optimization, stochasticity, and nonsmoothness. Its role is structural: it organizes known stability mechanisms within one perturbation calculus while keeping the hypotheses needed for each guarantee explicit.
Authors: Deyang Zheng, Tianyi Zhang, Wenming Zheng, Shujian Yu
Abstract: Emotional states manifest as coordinated yet heterogeneous physiological responses across central and autonomic systems, posing a fundamental challenge for multimodal representation learning in affective computing. Learning such joint dynamics is further complicated by the scarcity and subjectivity of affective annotations, which motivates the use of self-supervised learning (SSL). However, most existing SSL approaches rely on pairwise alignment objectives, which are insufficient to characterize dependencies among more than two modalities and fail to capture higher-order interactions arising from coordinated brain and autonomic responses. To address this limitation, we propose Multimodal Functional Maximum Correlation (MFMC), a principled SSL framework that maximizes higher-order multimodal dependence through a Dual Total Correlation (DTC) objective. By deriving a tight sandwich bound and optimizing it using a functional maximum correlation analysis (FMCA) based trace surrogate, MFMC captures joint multimodal interactions directly, without relying on pairwise contrastive losses. Experiments on three public affective computing benchmarks demonstrate that MFMC consistently achieves state-of-the-art or competitive performance under both subject-dependent and subject-independent evaluation protocols, highlighting its robustness to inter-subject variability. In particular, MFMC improves subject-dependent accuracy on CEAP-360VR from 78.9% to 86.8%, and subject-independent accuracy from 27.5% to 33.1% using the EDA signal alone. Moreover, MFMC remains within 0.8 percentage points of the best-performing method on the most challenging EEG subject-independent split of MAHNOB-HCI. Our code is available at https://github.com/DY9910/MFMC.
Authors: Jiazhao Shi, Qiyang Xie, Ziyu Wang, Dongxu Zhang, Yichen Lin, Di Zhu, Chen Xie, Ziwei Wang, Haoyun Zhang, Enliang Li, Zetong Guan
Abstract: Early lane-change intention prediction is essential for autonomous driving and ADAS, but it remains challenging because lane-changing behavior depends on evolving traffic risk, surrounding-vehicle interactions, and target-lane feasibility rather than only instantaneous vehicle states. This study proposes an evolutionary physics-informed temporal fusion framework for three-class lane-change intention prediction, including left lane change, right lane change, and no lane change. Instead of using static physics-informed variables alone, the proposed method derives temporal descriptors from conventional traffic signals, including risk evolution, gap persistence, counterfactual lane utility, interaction pressure gradient, maneuver feasibility, and intent consistency. These descriptors are fused with temporal embeddings learned from raw trajectory sequences through a sequence encoder, and the fused representation is used for final classification. Experiments are conducted on the highD and exiD datasets under 1\,s, 2\,s, and 3\,s prediction horizons. The proposed model achieves Macro F1-scores of 0.9514, 0.9256, and 0.8872 on highD, and 0.9386, 0.9070, and 0.8531 on exiD, respectively. The improvement is especially pronounced in exiD ramp-adjacent scenarios, indicating that temporal physical evolution is particularly useful in interaction-rich environments. These results demonstrate that combining evolutionary physics-informed descriptors with learned temporal representations provides a more dynamic and interpretable solution for early lane-change intention prediction.
Authors: Nicolas Caron, Christophe Guyeux, Hassan Noura, Benjamin Aynes
Abstract: Wildfires are highly imbalanced natural hazards in both space and severity, making the prediction of extreme events particularly challenging. In this work, we introduce the first ordinal classification framework for forecasting wildfire severity levels directly aligned with operational decision-making in France. Our study investigates the influence of loss-function design on the ability of neural models to predict rare yet critical high-severity fire occurrences. We compare standard cross-entropy with several ordinal-aware objectives, including the proposed probabilistic TDeGPD loss derived from a truncated discrete exponentiated Generalized Pareto Distribution. Through extensive benchmarking over multiple architectures and real operational data, we show that ordinal supervision substantially improves model performance over conventional approaches. In particular, the Weighted Kappa Loss (WKLoss) achieves the best overall results, with more than +0.1 IoU (Intersection Over Union) gain on the most extreme severity classes while maintaining competitive calibration quality. However, performance remains limited for the rarest events due to their extremely low representation in the dataset. These findings highlight the importance of integrating both severity ordering, data imbalance considerations, and seasonality risk into wildfire forecasting systems. Future work will focus on incorporating seasonal dynamics and uncertainty information into training to further improve the reliability of extreme-event prediction.
Authors: Yiming Zhou, Jiahao Wang, Mingyue Cheng, Hao Wang, Defu Lian, Enhong Chen
Abstract: While collaborative forecasting on distributed time series is highly desirable, directly pooling localized datasets is often impractical due to data sharing constraints. Federated learning offers a promising alternative, yet conventional federated learning algorithms require homogeneous model architectures, which are incompatible with the structural discrepancies, such as unaligned temporal resolutions and mismatched variable channels, commonly observed across decentralized nodes. To bridge this gap, we introduce PiXTime, a novel Transformer-based framework designed to natively accommodate and leverage structurally heterogeneous temporal data. At its core, PiXTime adopts a parameter-decoupling architecture, strategically partitioning the model into localized personalized modules and a globally aggregated shared backbone. Specifically, node-specific local modules act as dimensional adapters, projecting raw sequences of diverse lengths into a unified representation space. Concurrently, a globally synchronized VE Table injects consistent categorical identities into the feature space, allowing the shared backbone to collaboratively learn and generalize representations across inconsistent variable distributions. Comprehensive evaluations on multiple benchmarks demonstrate that PiXTime achieves state-of-the-art performance in heterogeneous federated environments, while maintaining robust superiority in standard homogeneous and centralized forecasting settings.
Authors: Jiazhang Liang, Jianheng Dai, Miaosen Luo, Menghua Jiang, Sijie Mai
Abstract: Multimodal large language models have demonstrated strong ability in capturing semantic representations for multimodal sentiment analysis. Their capacity to learn stable and generalizable multimodal features is limited, however, by the scarcity of high-quality training data. To address this, we propose QASA (Quality-Aware Semantic Augmentation), which uses diffusion models to generate augmented visual and auditory samples, thereby enlarging the training dataset and supporting multimodal learning. The generated samples can vary in quality and may exhibit cross-modal inconsistencies. To manage this, we introduce a decoupled quality-aware scoring module that assigns training weights based on the reliability of each augmented sample. This approach reduces the influence of low-quality data and contributes to more stable and robust model training. The framework combines the generative capabilities of diffusion models with the semantic reasoning of multimodal large models, providing an automated data augmentation strategy that does not require human annotation while improving generalization and robustness under limited high-quality data. Experiments on the CH-SIMS dataset show that QASA yields a relative increase of 18.0\% and 5.9\% in five-class accuracy (Acc5) and binary accuracy (Acc2), respectively, and it also outperforms existing methods on the CMU-MOSI and MUStARD benchmarks.
Authors: Yanhang Shi, Xiaoyu Wang, Houwei Cao, Jian Li, Yong Liu
Abstract: Multimodal decentralized federated learning (DFL) must support collaboration among agents that hold different modality subsets and often different model components, while operating over peer-to-peer (P2P) overlays without a coordinating server or a global network view. A key obstacle is that conventional multimodal training often relies on a single shared representation, which implicitly assumes that heterogeneous peers can exchange and aggregate the same model components over the same communication links. In multimodal DFL, this assumption breaks down: uni- and multimodal agents may push incompatible updates through shared overlays, weakening both inter-agent transfer and cross-modal interaction. We present PARSE, a server-free framework that brings partial information decomposition (PID) into multimodal DFL. Each agent splits its latent features into redundant, unique, and synergistic slices ("feature fission"), and performs slice-aware communication over modality-conditioned P2P overlays. During training, agents exchange only the slices that are semantically alignable with their neighbors, according to the modalities and model components they share ("partial alignment"). This design avoids centralized orchestration and gradient-surgery style conflict handling, while remaining compatible with standard DFL constraints and a range of P2P overlay topologies. Across multiple benchmarks and heterogeneous peer mixes, PARSE consistently outperforms task-, modality-, and hybrid-sharing multimodal DFL baselines while keeping per-link payloads bounded. Ablations on fusion choices and split ratios, together with qualitative feature analyses and overlay-topology studies, demonstrate the robustness and communication efficiency of the proposed slice-aware design.
Authors: Jiarui Yao, Ruida Wang, Hao Bai, Tong Zhang
Abstract: Group Relative Policy Optimization (GRPO) is widely used for critic-free Large Language Model (LLM) post-training, but its KL regularization is usually implemented as a local loss-side token penalty. We show that this misses the policy-gradient signal induced by autoregressive KL regularization. Unlike standard KL-regularized Reinforcement Learning (RL) objectives, GRPO's group normalization induces a non-linear prompt-level utility; for binary verifier rewards, this utility is $2\arcsin\sqrt p$. As a result, reward and KL cannot be fused before normalization without changing the implicit objective. We derive the on-policy gradient of GRPO-style objectives with token-wise $f$-divergence regularization. The reward term recovers the standardized GRPO advantage, while the regularizer term includes a causal future-regularization return-to-go omitted by local KL losses. For reverse KL, this yields a simple future KL correction: add a reverse cumulative sum of per-token log ratios after advantage construction. The resulting method, Future-KL Regularized Policy Optimization (FRPO), requires no critic or extra model passes. On mathematical reasoning tasks, FRPO improves pass@16 in our main large-model setting while maintaining higher entropy and lower policy drift than conventional loss-side KL baselines.
Authors: Yuyu Liu, Jiannan Yang, Ziyang Yu, Weishen Pan, Fei Wang, Tengfei Ma
Abstract: Missing data in single-cell sequencing datasets poses significant challenges for extracting meaningful biological insights. However, existing imputation approaches, which often assume uniformity and data completeness, struggle to address cases with large patches of missing data. In this paper, we present CROT (Cluster-Regularized Optimal Transport), an optimal transport-based imputation algorithm designed to handle patch-based missing data in tabular formats. Our approach effectively captures the underlying data structure in the presence of significant missingness. Notably, it achieves superior imputation accuracy while significantly reducing runtime, demonstrating its scalability and efficiency for large-scale datasets. This work introduces a robust solution for imputation in heterogeneous, high-dimensional datasets with structured data absence, addressing critical challenges in both biological and clinical data analysis. Our code is available on GitHub, https://github.com/yuyuliu11037/CROT.
Authors: W. A. Z\'u\~niga-Galindo
Abstract: We rigorously study the thermodynamic limit of deep neural networks (DNNS) and recurrent neural networks (RNNs), assuming that the activation functions are sigmoids. A thermodynamic limit is a continuous neural network, where the neurons form a continuous space with infinitely many points. We show that such a network admits a unique state in a certain region of the parameter space, which depends continuously on the parameters. This state breaks into an infinite number of states outside the mentioned region of parameter space. Then, the critical organization is a bifurcation in the parameter space, where a network transitions from a unique state to infinitely many states. We use p-adic integers to codify hierarchical structures. Indeed, we present an algorithm that recasts the hierarchical topologies used in DNNs and RNNs as p-adic tree-like structures. In this framework, the hierarchical and the critical organizations are connected. We study rigorously the critical organization of a toy model, a hierarchical edge detector for grayscale images based on p-adic cellular neural networks. The critical organization of such a network can be described as a strange attractor. In the second part, we study random versions of DNNs and RNNs. In this case, the network parameters are generalized Gaussian random variables in a space of quadratic integrable functions. We compute the probability distribution of the output given the input, in the infinite-width case. We show that it admits a power-type expansion, where the constant term is a Gaussian distribution.
Authors: Yichao Cai, Zhen Zhang, Yuhang Liu, Javen Qinfeng Shi
Abstract: While InfoNCE underlies modern contrastive learning, its geometric mechanisms remain under-characterized beyond the canonical alignment--uniformity decomposition. We develop a measure-theoretic framework in which representation measures evolve on a fixed embedding manifold. In the large-batch limit, we prove value and gradient consistency, linking the stochastic objective to explicit deterministic energy landscapes and revealing a geometric bifurcation between unimodal and symmetric multimodal regimes. In the unimodal case, the intrinsic energy is strictly convex and admits a unique Gibbs equilibrium, showing that entropy acts as a tie-breaker within the aligned basin. In the multimodal case, the intrinsic geometry becomes cross-coupled and contains a persistent negative symmetric divergence term: each modality's marginal reshapes the effective landscape of the other, allowing strong pairwise alignment to coexist with a persistent modality gap. Controlled synthetic experiments and analyses of pretrained CLIP representations support these predictions. Overall, our results shift the analytical lens from pointwise discrimination to population geometry, showing that pairwise alignment alone is insufficient to control cross-modal marginal structure.
Authors: Minjae Kwon, Josephine Lamp, Lu Feng
Abstract: Safe Reinforcement Learning (RL) algorithms are typically evaluated under fixed training conditions. We investigate whether training-time safety guarantees transfer to deployment under distribution shift, using diabetes management as a safety-critical testbed. We benchmark safe RL algorithms on a unified clinical simulator and reveal a safety generalization gap: policies satisfying constraints during training frequently violate safety requirements on unseen patients. We demonstrate that test-time shielding, which filters unsafe actions using learned dynamics models, effectively restores safety across algorithms and patient populations. Across eight safe RL algorithms, three diabetes types, and three age groups, shielding achieves Time-in-Range gains of 13--14\% for strong baselines such as PPO-Lag and CPO while reducing clinical risk index and glucose variability. Our simulator and benchmark provide a platform for studying safety under distribution shift in safety-critical control domains. Code is available at https://github.com/safe-autonomy-lab/GlucoSim and https://github.com/safe-autonomy-lab/GlucoAlg.
URLs: https://github.com/safe-autonomy-lab/GlucoSim, https://github.com/safe-autonomy-lab/GlucoAlg.
Authors: Hoyeon Chang, B\'alint Mucs\'anyi, Seong Joon Oh
Abstract: Neural networks adapt through first-order parameter updates, yet it remains unclear whether such updates preserve logical coherence. We investigate the geometric limits of the Linear Propagation Assumption (LPA), the premise that local updates coherently propagate to logical consequences. To formalize this, we adopt relation algebra and study three core operations on relations: negation flips truth values, converse swaps argument order, and composition chains relations. For negation and converse, we prove that guaranteeing direction-agnostic first-order propagation necessitates a tensor factorization separating entity-pair context from relation content. However, for composition, we identify a fundamental obstruction. We show that composition reduces to conjunction, and prove that any conjunction well-defined on linear features must be bilinear. Since bilinearity is incompatible with negation, this forces the feature map to collapse. These results suggest that failures in knowledge editing, the reversal curse, and multi-hop reasoning may stem from common structural limitations inherent to the LPA.
Authors: Elynn Chen, Enpei Zhang, Jinhang Chai, Yujun Yan
Abstract: We study online transfer reinforcement learning (RL) in episodic Markov decision processes, where experience from related source tasks is available during learning on a target task. A fundamental difficulty is that task similarity is typically defined in terms of rewards or transitions, whereas online RL algorithms operate on Bellman regression targets. As a result, naively reusing source Bellman updates introduces systematic bias and invalidates regret guarantees. We identify one-step Bellman alignment as the correct abstraction for transfer in online RL and propose re-weighted targeting (RWT), an operator-level correction that retargets continuation values and compensates for transition mismatch via a change of measure. RWT reduces task mismatch to a fixed one-step correction and enables statistically sound reuse of source data. This alignment yields a two-stage RWT $Q$-learning framework that separates variance reduction from bias correction. Under RKHS function approximation, we establish regret bounds that scale with the complexity of the task shift rather than the target MDP. We further show the required density ratios admit a constructive RKHS estimator with finite-sample guarantees, and empirically validate robustness to estimated and mis-specified ratios. Empirical results in both tabular and neural network settings demonstrate consistent improvements over single-task learning and na\"{i}ve pooling, highlighting Bellman alignment as a model-agnostic transfer principle for online RL.
Authors: Yaowei Jin, Junjie Wang, Cheng Cao, Penglei Wang, Duo An, Qian Shi
Abstract: Structure-Based Drug Design (SBDD) aims to discover bioactive ligands. Conventional approaches construct probability paths separately in Euclidean and probabilistic spaces for continuous atomic coordinates and discrete chemical categories, leading to a mismatch with the underlying statistical manifolds. We address this issue by representing molecules using composite exponential-family distributions, where coordinates and categories are represented within a unified natural parameter space to evolve synchronously along exponential geodesics under the Fisher-Rao metric. To avoid the instantaneous trajectory collapse induced by geodesics directly targeting Dirac distributions, we propose Evolving Exponential Geodesic Flow for SBDD (EvoEGF-Mol), which replaces static Dirac targets with dynamically concentrating distributions and is trained with a progressive-parameter-refinement architecture. Our model approaches a reference-level PoseBusters passing rate (93.4%) on CrossDock, demonstrating remarkable geometric precision and interaction fidelity, while achieving superior performance over baseline methods on real-world MolGenBench tasks for bioactive scaffold recovery. Code is available at https://github.com/BLEACH366/EvoEGF-Mol.
Authors: Daniel Ezer, Alon Peled-Cohen, Yishay Mansour
Abstract: We study the stochastic linear bandits with parameter noise model, in which the reward of action $a$ is $a^\top \theta$ where $\theta$ is sampled i.i.d. We show a regret upper bound of $\widetilde{O} (\sqrt{d T \log (K/\delta) \sigma^2_{\max})}$ for a horizon $T$, general action set of size $K$ of dimension $d$, and where $\sigma^2_{\max}$ is the maximal variance of the reward for any action. We further provide a lower bound of $\widetilde{\Omega} (d \sqrt{T \sigma^2_{\max}})$ which is tight (up to logarithmic factors) whenever $\log (K) \approx d$. For more specific action sets, $\ell_p$ unit balls with $p \leq 2$ and dual norm $q$, we show that the minimax regret is $\widetilde{\Theta} (\sqrt{dT \sigma^2_q)}$, where $\sigma^2_q$ is a variance-dependent quantity that is always at most $4$. This is in contrast to the minimax regret attainable for such sets in the classic additive noise model, where the regret is of order $d \sqrt{T}$. Surprisingly, we show that this optimal (up to logarithmic factors) regret bound is attainable using a very simple explore-exploit algorithm.
Authors: Akram Aldroubi
Abstract: Despite their empirical success, neural network classifiers remain difficult to interpret. In softmax-based models, class regions are defined implicitly as solutions to systems of inequalities among logits, making them difficult to extract and visualize. We introduce Partition of Unity Neural Networks (PUNN), an architecture in which class probabilities arise directly from a learned partition of unity, without requiring a softmax layer. PUNN constructs $k$ nonnegative functions $h_1, \ldots, h_k$ satisfying $\sum_i h_i(x) = 1$, where each $h_i(x)$ directly represents $P(\text{class } i \mid x)$. Unlike softmax, where class regions are defined implicitly through coupled inequalities among logits, each PUNN partition function $h_i$ directly defines the probability of class $i$ as a standalone function of $x$. We prove that PUNN is dense in the space of continuous probability maps on compact domains. The gate functions $g_i$ that define the partition can use various activation functions (sigmoid, Gaussian, bump) and parameterizations ranging from flexible MLPs to parameter-efficient shape-informed designs (spherical shells, ellipsoids, spherical harmonics). Experiments on synthetic data, UCI benchmarks, and MNIST show that PUNN with MLP-based gates achieves accuracy within 0.3--0.6\% of standard multilayer perceptrons. When geometric priors match the data structure, shape-informed gates achieve comparable accuracy with up to 300$\times$ fewer parameters. These results demonstrate that interpretable-by-design architectures can be competitive with black-box models while providing transparent class probability assignments.
Authors: Shenyang Deng, Boyao Liao, Zhuoli Ouyang, Tianyu Pang, Yaoqing Yang
Abstract: The eigenvalue distribution of the Hessian matrix plays a crucial role in understanding the optimization landscape of deep neural networks. Prior work has attributed the well-documented ``bulk-and-spike'' spectral structure, where a few dominant eigenvalues are separated from a bulk of smaller ones, to the imbalance in the data covariance matrix. In this work, we challenge this view by demonstrating that such spectral Bifurcation can arise purely from the network architecture, independent of data imbalance. Specifically, we analyze a deep linear network setup and prove that, even when the data covariance is perfectly balanced, the Hessian still exhibits a Bifurcation eigenvalue structure: a dominant cluster and a bulk cluster. Crucially, we establish that the ratio between dominant and bulk eigenvalues scales linearly with the network depth. This reveals that the spectral gap is strongly affected by the network architecture rather than solely by data distribution. Our results suggest that both model architecture and data characteristics should be considered when designing optimization algorithms for deep networks.
Authors: Panagiotis Koromilas, Andreas D. Demou, James Oldfield, Yannis Panagakis, Mihalis Nicolaou
Abstract: Sparse autoencoders (SAEs) interpret neural network representations by decomposing activations into sparse combinations of dictionary atoms. However, SAEs assume features combine additively through linear reconstruction, an assumption that cannot capture compositional structure: linear models cannot distinguish whether ''Starbucks'' arises from the composition of ''star'' and ''coffee'' features or merely their co-occurrence. This forces SAEs to allocate monolithic features for compound concepts rather than decomposing them into interpretable constituents. We introduce PolySAE, which extends the SAE decoder with higher-order terms to model feature interactions while preserving the linear encoder essential for interpretability. Through low-rank tensor factorization on a shared projection subspace, PolySAE captures pairwise and triple feature interactions with small parameter overhead (3% on GPT2). Across four language models and three SAE variants, PolySAE achieves an average improvement of $\sim$8% in probing F1 while maintaining comparable reconstruction error, and produces 2--10$\times$ larger Wasserstein distances between class-conditional feature distributions. Critically, learned interaction weights exhibit negligible correlation with co-occurrence frequency ($r = 0.06$ vs $r = 0.82$ for SAE feature covariance), suggesting that polynomial terms capture compositional structure largely independent of surface statistics. Finally, the learned interaction directions causally steer model outputs toward the corresponding compositional semantics.
Authors: Woosung Koh, Sungjun Han, Segyu Lee, Se-Young Yun, Jamin Shin
Abstract: Mobile Graphical User Interface (GUI) World Models (WMs) offer a promising path for improving mobile GUI agent performance at train- and inference-time. However, current approaches face a critical trade-off: text-based WMs sacrifice visual fidelity, while the inability of visual WMs in precise text rendering led to their reliance on slow, complex pipelines dependent on numerous external models. We propose a novel paradigm: visual world modeling via renderable code generation, where a single Vision-Language Model (VLM) predicts the next GUI state as executable web code that renders to pixels, rather than generating pixels directly. This combines the strengths of both approaches: VLMs retain their linguistic priors for precise text rendering while their pre-training on structured web code enables high-fidelity visual generation. We introduce gWorld (8B, 32B), the first open-weight visual mobile GUI WMs built on this paradigm, along with a data generation framework (gWorld) that automatically synthesizes code-based training data. In extensive evaluation across 4 in- and 2 out-of-distribution benchmarks, gWorld sets a new pareto frontier in accuracy versus model size, outperforming 8 frontier open-weight models over 50.25x larger. Further analyses show that (1) scaling training data via gWorld yields meaningful gains, (2) each component of our pipeline improves data quality, and (3) stronger world modeling improves downstream mobile GUI policy performance.
Authors: Wenbo Pan, Zhichao Liu, Xianlong Wang, Haining Yu, Xiaohua Jia
Abstract: Token attribution methods provide intuitive explanations for language model outputs by identifying causally important input tokens. However, as modern LLMs increasingly rely on extended reasoning chains, existing schemes face two critical challenges: (1) efficiency bottleneck, where attributing a target span of M tokens within a context of length N requires O(M*N) operations, making long-context attribution prohibitively slow; and (2) faithfulness drop, where intermediate reasoning tokens absorb attribution mass, preventing importance from propagating back to the original input. To address these, we introduce FlashTrace, an efficient multi-token attribution method that employs span-wise aggregation to compute attribution over multi-token targets in a single pass, while maintaining faithfulness. Moreover, we design a recursive attribution mechanism that traces importance through intermediate reasoning chains back to source inputs. Extensive experiments on long-context retrieval (RULER) and multi-step reasoning (MATH, MorehopQA) tasks demonstrate that FlashTrace achieves over 130x speedup over existing baselines while maintaining superior faithfulness. We further analyze the dynamics of recursive attribution, showing that even a single recursive hop improves faithfulness by tracing importance through the reasoning chain.
Authors: Ali Baheri
Abstract: Neuro-symbolic systems aim to combine the expressive structure of symbolic logic with the flexibility of neural learning; yet, generative models typically lack mechanisms to enforce declarative constraints at generation time. We propose Logic-Guided Vector Fields (LGVF), a neuro-symbolic framework that injects symbolic knowledge, specified as differentiable relaxations of logical constraints, into flow matching generative models. LGVF couples two complementary mechanisms: (1) a training-time logic loss that penalizes constraint violations along continuous flow trajectories, with weights that emphasize correctness near the target distribution; and (2) an inference-time adjustment that steers sampling using constraint gradients, acting as a lightweight, logic-informed correction to the learned dynamics. We evaluate LGVF on three constrained generation case studies spanning linear, nonlinear, and multi-region feasibility constraints. Across all settings, LGVF reduces constraint violations by 59-82% compared to standard flow matching and achieves the lowest violation rates in each case. In the linear and ring settings, LGVF also improves distributional fidelity as measured by MMD, while in the multi-obstacle setting, we observe a satisfaction-fidelity trade-off, with improved feasibility but increased MMD. Beyond quantitative gains, LGVF yields constraint-aware vector fields exhibiting emergent obstacle-avoidance behavior, routing samples around forbidden regions without explicit path planning.
Authors: Wenhao Sun, Rong-Cheng Tu, Yifu Ding, Zhao Jin, Jingyi Liao, Yongcheng Jing, Dacheng Tao
Abstract: While Diffusion Language Models (DLMs) offer a flexible, arbitrary-order alternative to the autoregressive paradigm, their non-causal nature precludes standard KV caching, forcing costly hidden state recomputation at every decoding step. Existing DLM caching approaches reduce this cost by selective hidden state updates; however, they are still limited by (i) costly token-wise update identification heuristics and (ii) rigid, uniform budget allocation that fails to account for heterogeneous hidden state dynamics. To address these challenges, we present SPA-Cache that jointly optimizes update identification and budget allocation in DLM cache. First, we derive a low-dimensional singular proxy that enables the identification of update-critical tokens in a low-dimensional subspace, substantially reducing the overhead of update identification. Second, we introduce an adaptive strategy that allocates fewer updates to stable layers without degrading generation quality. Together, these contributions significantly improve the efficiency of DLMs, yielding up to an $8\times$ throughput improvement over vanilla decoding and a $2$--$4\times$ speedup over existing caching baselines.
Authors: Samaresh Kumar Singh, Joyjit Roy
Abstract: Though Explainable AI (XAI) has made significant advancements, its inclusion in edge and IoT systems is typically ad-hoc and inefficient. Most current methods are "coupled" in such a way that they generate explanations simultaneously with model inferences. As a result, these approaches incur redundant computation, high latency and poor scalability when deployed across heterogeneous sets of edge devices. In this work we propose Explainability-as-a-Service (XaaS), a distributed architecture for treating explainability as a first-class system service (as opposed to a model-specific feature). The key innovation in our proposed XaaS architecture is that it decouples inference from explanation generation allowing edge devices to request, cache and verify explanations subject to resource and latency constraints. To achieve this, we introduce three main innovations: (1) A distributed explanation cache with a semantic similarity based explanation retrieval method which significantly reduces redundant computation; (2) A lightweight verification protocol that ensures the fidelity of both cached and newly generated explanations; and (3) An adaptive explanation engine that chooses explanation methods based upon device capability and user requirement. We evaluated the performance of XaaS on three real-world edgeAI use cases: (i) manufacturing quality control; (ii) autonomous vehicle perception; and (iii) healthcare diagnostics. Experimental results show that XaaS reduces latency by 38% while maintaining high explanation quality across three real-world deployments. Overall, this work enables the deployment of transparent and accountable AI across large scale, heterogeneous IoT systems, and bridges the gap between XAI research and edge-practicality.
Authors: Sungwon Park, Anthony Zhou, Hongjoong Kim, Amir Barati Farimani
Abstract: Neural operators provide a powerful framework for learning discretization invariant mappings between function spaces, but standard deterministic models do not capture predictive uncertainty. We introduce diffusion last layer (DLL), a modular probabilistic output head for neural operator backbones. DLL represents target fields through an input dependent low rank expansion inspired by the Karhunen-Lo\'eve expansion and learns a conditional diffusion model over the corresponding coefficient space. This design enables efficient distributional modeling while preserving the structural advantages of operator learning. On stochastic PDE benchmarks with random forcing, DLL achieves strong distributional fidelity and performs competitively with pixel space and conventional latent diffusion baselines. In deterministic long horizon rollout tasks, DLL improves rollout stability over the underlying backbone and provides useful estimates of predictive uncertainty under compounding autoregressive errors. These results suggest that diffusion modeling in learned coefficient spaces offers a practical route to uncertainty aware neural operators.
Authors: Fabiano Veglianti, Lorenzo Antonelli, Gabriele Tolomei
Abstract: Hypergraph neural networks (HGNNs) effectively model higher-order interactions in many real-world systems but remain difficult to interpret, limiting their deployment in high-stakes settings. We introduce CF-HyperGNNExplainer, a counterfactual explanation method for HGNNs that identifies the minimal structural changes required to alter a model's prediction. The method generates counterfactual hypergraphs using actionable edits limited to removing node-hyperedge incidences or deleting hyperedges, producing concise and structurally meaningful explanations. Extensive experiments on hypergraph benchmark datasets show that CF-HyperGNNExplainer generates valid and concise counterfactuals, highlighting the higher-order relations most critical to HGNN decisions.
Authors: Shizheng Wen, Mingyuan Chi, Tianwei Yu, Ben Moseley, Mike Yan Michelis, Pu Ren, Hao Sun, Siddhartha Mishra
Abstract: We present a unified algorithmic framework for the numerical solution, constrained optimization, and physics-informed learning of PDEs with a variational structure. Our framework is based on a Galerkin discretization of the underlying variational forms, and its high efficiency stems from a novel highly-optimized and GPU-compliant TensorGalerkin framework for linear system assembly (stiffness matrices and load vectors). TensorGalerkin operates by tensorizing element-wise operations within a Python-level Map stage and then performs global reduction with a sparse matrix multiplication that performs message passing on the mesh-induced sparsity graph. The Map and Reduce stages are co-designed inside PyTorch's autograd so that the assembly graph contains $O(1)$ nodes regardless of how the number of elements and local DoFs scale. We validate this $O(1)$-graph property by deploying TensorGalerkin downstream as i) a highly-efficient numerical PDEs solver, ii) an end-to-end differentiable framework for PDE-constrained optimization, and iii) a physics-informed operator learning algorithm for PDEs. With multiple benchmarks, including 2D and 3D elliptic, parabolic, and hyperbolic PDEs on unstructured meshes, we demonstrate that the proposed framework provides significant computational efficiency and accuracy gains over a variety of baselines in all the targeted downstream applications.
Authors: Sheshansh Agrawal, Thien Hang Nguyen, Douwe Kiela
Abstract: Selecting the top $m$ from $n$ items via expensive $k$-wise comparisons is central to settings ranging from LLM-based document reranking to crowdsourced evaluation and tournament design. Existing methods either rely on heuristics that discard comparison information, or exploit it at prohibitive cost. We introduce a tournament graph framework that provides a principled foundation for $k$-wise ranking. Our key observation is that each $k$-item comparison reveals an induced tournament of $\binom{k}{2}$ pairwise preferences; aggregating these into a global preference graph and computing its transitive closure yields many additional orderings without further oracle calls. We formalize when the current top-$m$ output is certifiably determined and design a greedy query schedule that maximizes information gain towards identifying the top-$m$ items. The framework also gracefully handles non-transitive preferences -- cycles induced by real-world oracles -- by collapsing them into equivalence classes that yield principled tiered rankings. Applied to LLM reranking across 14 benchmarks and 5 models, BlitzRank achieves Pareto dominance over existing approaches: matching or exceeding accuracy while requiring 25--40% fewer tokens than comparable methods; against pairwise reranking, it achieves near-identical quality with 7$\times$ fewer tokens. Code available at https://github.com/ContextualAI/BlitzRank.
Authors: Binghui Li, Kaifei Wang, Han Zhong, Pinyan Lu, Liwei Wang
Abstract: Muon updates matrix parameters via the matrix sign of the gradient and has shown strong empirical gains, yet its dynamics and scaling behavior remain unclear in theory. We study Muon in a linear associative memory model with softmax retrieval and a hierarchical frequency spectrum over query-answer pairs, with and without label noise. In this setting, we show that Gradient Descent (GD) learns frequency components at highly imbalanced rates, leading to slow convergence bottlenecked by low-frequency components. In contrast, the Muon optimizer mitigates this imbalance, leading to faster and more uniform progress. Specifically, in the noiseless case, Muon achieves an exponential speedup over GD; in the noisy case with a power-law frequency spectrum, we derive Muon's scaling law and demonstrate its superior scaling efficiency over GD. Furthermore, we show that Muon can be interpreted as an implicit matrix preconditioner arising from adaptive task alignment and block-symmetric gradient structure. In contrast, the preconditioner with coordinate-wise sign operator could match Muon under oracle access to unknown task representations, which is infeasible for SignGD in practice. Experiments on synthetic long-tail classification and LLaMA-style pre-training corroborate the theory.
Authors: Arran Carter, Sanghyeok Choi, Kirill Tamogashev, V\'ictor Elvira, Nikolay Malkin
Abstract: Sampling from a distribution $p(x) \propto e^{-\mathcal{E}(x)}$ known up to a normalising constant is an important and challenging problem in statistics. Recent years have seen the rise of a new family of amortised sampling algorithms, commonly referred to as diffusion samplers, that enable fast and efficient sampling from an unnormalised density. Such algorithms have been widely studied for continuous-space sampling tasks; however, their application to problems in discrete space remains largely unexplored. Although some progress has been made in this area, discrete diffusion samplers do not take full advantage of ideas commonly used for continuous-space sampling. In this paper, we propose to bridge this gap by introducing off-policy training techniques for discrete diffusion samplers. We show that these techniques improve the performance of discrete samplers on both established and new synthetic benchmarks. Next, we generalise discrete diffusion samplers to the task of bridging between two arbitrary distributions, introducing data-to-energy Schr\"odinger bridge training for the discrete domain for the first time. Lastly, we showcase the application of the proposed diffusion samplers to data-free posterior sampling in the discrete latent spaces of image generative models.
Authors: Jackie Baek, Yunhan Chen, Ziyu Chi, Will Ma
Abstract: LLMs can generate a wealth of data, ranging from simulated personas imitating human valuations and preferences, to demand forecasts based on world knowledge. But how well do such LLM-generated distributions support downstream decision-making? For example, when pricing a new product, a firm could prompt an LLM to simulate how much consumers are willing to pay based on a product description, but how useful is the resulting distribution for optimizing the price? We refer to this approach as LLM-SAA, in which an LLM is used to construct an estimated distribution and the decision is then optimized under that distribution. In this paper, we study metrics to evaluate the quality of these LLM-generated distributions, based on the decisions they induce. Taking three canonical decision-making problems (assortment optimization, pricing, and newsvendor) as examples, we find that LLM-generated distributions are practically useful, especially in low-data regimes. We also show that decision-agnostic metrics such as Wasserstein distance can be misleading when evaluating these distributions for decision-making.
Authors: Daniil Plyusov, Alexey Gorbatovski, Boris Shaposhnikov, Viacheslav Sinii, Alexey Malakhov, Daria Korotyshova, Daniil Gavrilov
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) is commonly based on group sampling to estimate advantages and stabilize policy updates. In practice, computational limits often rule out very large groups, so training proceeds with finite rollout sets that can reinforce only the correct behavior they expose. At practical group sizes, updates can miss rare-correct trajectories while still containing mixed rewards, concentrating probability on more common sampled solutions. We derive the probability of such prompt-local tail-miss events as a function of group size, showing non-monotonic behavior, and in the categorical abstraction characterize how unsampled-correct mass can shrink even as total correct mass grows. Motivated by this analysis, we propose a difficulty-aware scaling coefficient, inspired by Focal loss, that down-weights updates on high-success sampled groups. Empirically, categorical simulation illustrates the same effect in the categorical setting, Maze provides a single-solution test, and LLM experiments include a representative GRPO group-size sweep together with fixed-$N$ transfer across GRPO, DAPO, and CISPO. On Qwen2.5-7B at $N{=}8$, our method improves average math pass@256 from 64.1 $\rightarrow$ 70.3 (GRPO), 69.3 $\rightarrow$ 72.5 (DAPO), and 73.2 $\rightarrow$ 76.8 (CISPO); OOD pass@256 also improves in all three cases, without increasing group size or computational cost.
Authors: Yuntian Tang, Bohan Jia, Wenxuan Huang, Lianyue Zhang, Jiao Xie, Wenxi Li, Wei Li, Jie Hu, Xinghao Chen Rongrong Ji, Shaohui Lin
Abstract: Chain-of-Thought (CoT) reasoning successfully enhances the reasoning capabilities of Large Language Models (LLMs), yet it incurs substantial computational overhead for inference. Existing CoT compression methods often suffer from a critical loss of logical fidelity at high compression ratios, resulting in significant performance degradation. To achieve high-fidelity, fast reasoning, we propose a novel EXTreme-RAtio Chain-of-Thought Compression framework, termed Extra-CoT, which aggressively reduces the token budget while preserving answer accuracy. To generate reliable, high-fidelity supervision, we first train a dedicated semantically-preserved compressor on mathematical CoT data with fine-grained annotations. An LLM is then fine-tuned on these compressed pairs via a mixed-ratio supervised fine-tuning (SFT), teaching it to follow a spectrum of compression budgets and providing a stable initialization for reinforcement learning (RL). We further propose Constrained and Hierarchical Ratio Policy Optimization (CHRPO) to explicitly incentivize question-solving ability under lower budgets by a hierarchical reward. Experiments on three mathematical reasoning benchmarks show the superiority of Extra-CoT. For example, on MATH-500 using Qwen3-1.7B, Extra-CoT achieves over 73\% token reduction with an accuracy improvement of 0.6\%, significantly outperforming state-of-the-art (SOTA) methods. Our source codes have been released at https://github.com/Mwie1024/Extra-CoT.
Authors: Xiaodong Lu, Xiaohan Wang, Jiajun Chai, Guojun Yin, Wei Lin, Zhijun Chen, Yu Luo, Fuzhen Zhuang, Yikun Ban, Deqing Wang
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) is an effective paradigm for improving the reasoning capabilities of large language models. However, existing RLVR methods utilize rollouts in an indiscriminate and short-horizon manner: responses of heterogeneous quality within each prompt are treated uniformly, and historical rollouts are discarded after a single use. This leads to noisy supervision, poor sample efficiency, and suboptimal policy updates. We address these issues by formulating rollout scheduling in RLVR as a contextual bandit problem and proposing a unified neural scheduling framework that adaptively selects high-value rollouts throughout training. Each rollout is treated as an arm whose reward is defined by the induced performance gain between consecutive optimization steps. The resulting scheduler supports both noise-aware intra-group selection and adaptive global reuse of historical rollouts within a single principled framework. We provide theoretical justification by deriving sublinear regret bounds and showing that enlarging the rollout buffer improves the achievable performance upper bound. Experiments on six mathematical reasoning benchmarks demonstrate consistent gains in performance and training efficiency across multiple RLVR optimization methods.
Authors: Jonathan von Rad, Yong Cao, Andreas Geiger
Abstract: Model compression is increasingly essential for deploying large language models (LLMs), yet existing comparative studies largely focus on pruning and quantization evaluated primarily on knowledge-centric benchmarks. Thus, we introduce UniComp, a unified evaluation framework for comparing pruning, quantization, and knowledge distillation. UniComp evaluates compressed models along three dimensions: performance, reliability, and efficiency, using a diverse set of capability- and safety-oriented benchmarks together with a hardware-aware efficiency analysis. Through evaluation of six compression techniques across 40 datasets, we observe (i) a consistent knowledge bias, where factual recall is largely preserved while multi-step reasoning, multilingual, and instruction-following capabilities degrade; (ii) a decoupling between performance and reliability, indicating that retained performance does not consistently imply preserved reliability; and (iii) that task-specific calibration can yield up to 50% relative improvement of reasoning performance in pruned models.
Authors: Ziyuan Huang, Lina Alkarmi, Mingyan Liu
Abstract: Strategic classification studies the problem where self-interested individuals or agents manipulate their response to obtain favorable decision outcomes made by classifiers, typically turning to dishonest actions when they are less costly than genuine efforts. While existing studies on sequential strategic classification primarily focus on optimizing dynamic classifier weights, we depart from these weight-centric approaches by analyzing the design of classifier thresholds and difficulty progression within a multi-level promotion-relegation framework. Our model captures the critical inter-temporal incentives driven by an agent's farsightedness, skill retention, and a leg-up effect where qualification and attainment can be self-reinforcing. We characterize the agent's optimal long-term strategy and demonstrate that a principal can design a sequence of thresholds to effectively incentivize honest effort. Crucially, we prove that under mild conditions, this mechanism enables agents to reach arbitrarily high levels solely through genuine improvement efforts.
Authors: Jingkun Liu, Yisong Yue, Max Welling, Yue Song
Abstract: Self-attention in Transformers relies on globally normalized softmax weights, causing all tokens to compete for influence at every layer. When composed across depth, this interaction pattern induces strong synchronization dynamics that favor convergence toward a dominant mode, a behavior associated with representation collapse and attention sink phenomena. We introduce Krause Attention, a principled attention mechanism inspired by bounded-confidence consensus dynamics. Krause Attention replaces similarity-based global aggregation with distance-based, localized, and selectively sparse interactions, promoting structured local synchronization instead of global mixing. We relate this behavior to recent theory modeling Transformer dynamics as interacting particle systems, and show how bounded-confidence interactions naturally moderate attention concentration and alleviate attention sinks. Restricting interactions to local neighborhoods also reduces runtime complexity from quadratic to linear in sequence length. Empirically, we validate Krause Attention across diverse settings, including vision (ViT on CIFAR/ImageNet), autoregressive image generation (MNIST/CIFAR-10), large language models (Llama/Qwen), and language models trained from scratch at multiple scales (100M/200M). Across these domains, Krause Attention achieves consistent performance gains while improving computational efficiency, highlighting bounded-confidence dynamics as a scalable and effective inductive bias for attention.
Authors: Zizhao Wang, Chang Shi, Jiaheng Hu, Kevin Rohling, Roberto Mart\'in-Mart\'in, Amy Zhang, Peter Stone
Abstract: Learning latent actions from action-free video has emerged as a powerful paradigm for scaling up controllable world model learning. Latent actions provide a natural interface for users to iteratively generate and manipulate videos. However, most existing approaches rely on monolithic inverse and forward dynamics models that learn a single latent action to control the entire scene, and therefore struggle in complex environments where multiple entities act simultaneously. This paper introduces Factored Latent Action Model (FLAM), a factored dynamics framework that decomposes the scene into independent factors, each inferring its own latent action and predicting its own next-step factor value. This factorized structure enables more accurate modeling of complex multi-entity dynamics and improves video generation quality in action-free video settings compared to monolithic models. Based on experiments on both simulation and real-world multi-entity datasets, we find that FLAM outperforms prior work in prediction accuracy and representation quality, and facilitates downstream policy learning, demonstrating the benefits of factorized latent action models.
Authors: Eitan Gronich, Gal Vardi
Abstract: We study the implicit bias of momentum-based optimizers on smooth homogeneous models. We show that \textit{momentum steepest descent} algorithms like Muon (spectral norm), MomentumGD ($\ell_2$ norm), and Signum ($\ell_\infty$ norm) are \textit{approximate} steepest descent trajectories under a decaying learning rate schedule, proving that these algorithms have a bias towards KKT points of the corresponding margin maximization problem. We extend the analysis to Adam (without the stability constant), which maximizes the $\ell_\infty$ margin, and to Muon-Signum and Muon-Adam, which maximize a hybrid norm. Our experiments corroborate the theory and show that the identity of the margin maximized depends on the choice of optimizer. Overall, our results extend earlier lines of work on steepest descent in homogeneous models and momentum-based optimizers in linear models.
Authors: Payel Bhattacharjee, Osvaldo Simeone, Ravi Tandon
Abstract: Reward modeling is central to alignment pipelines such as RLHF, RLAIF, and PPO-based policy optimization, yet its reliability is constrained by limited and heterogeneous human preference data that are expensive to collect at scale. While synthetic augmentation can expand preference supervision, existing methods often augment uniformly or at the representation level, without targeting examples where the reward model is uncertain or prone to mis-ranking. In this paper, we introduce MARS (Margin and Semantic-Aware Data Augmentation for Reward Modeling), an adaptive augmentation framework that prioritizes low-margin preference pairs and uses semantic distance as a second layer for refinement to enhance the contrast between the chosen and rejected responses. Across multiple preference datasets, reward-model backbones, downstream alignment settings, and benchmarks including RewardBench and AlpacaEval, MARS improves both reward-model quality and alignment performance over existing baselines. Our results show that reward-model augmentation is most effective when guided by both model margins and semantic structure.
Authors: Dongwei Wang, Jinhee Kim, Seokho Han, Denis Gudovskiy, Yohei Nakata, Tomoyuki Okuno, KhayTze Peong, Kang Eun Jeon, Jong Hwan Ko, Yiran Chen, Huanrui Yang
Abstract: Dynamic runtime latency and memory constraints necessitate flexible large language model (LLM) deployment, where an LLM can be inferred with various quantization precisions based on available computational resources. Recent work on such any-precision quantization either relies on hardware-inefficient vector quantization or induces additional scaling factors when switching between bit-widths. Meanwhile, existing post-training quantization (PTQ) methods calibrated for a fixed low precision show poor generalizability under runtime precision change. In this work, we attribute the source of poor generalization across bit-widths to a precision-dependent \textit{outlier migration} phenomenon where the distribution of PTQ-sensitive tokens changes across precisions. Motivated by this observation, we propose \texttt{MoBiQuant}, a novel any-precision Mixture-of-Bits quantization framework that adjusts weight precision for flexible LLM inference based on token sensitivity. Specifically, we propose a many-in-one recursive residual quantization that can iteratively reconstruct higher-precision weights at runtime and mitigates \textit{outlier migration} with a token-aware router to dynamically select the optimal inference precision of each token.Extensive experiments show that \texttt{MoBiQuant} matches or surpasses frontier single-precision PTQ while exhibiting strong elasticity, achieving significant memory savings and throughput gains of up to $1.34\times$ over state-of-the-art any-precision methods.
Authors: Kiyoung Seong, Sungsoo Ahn, Sehui Han, Changyoung Park
Abstract: Crystal modeling spans a family of conditional and unconditional generation tasks, including crystal structure prediction (CSP) and de novo generation (DNG). While recent deep generative models have shown promising performance, they remain largely task-specific, lacking a unified framework that shares crystal representations across tasks. To address this limitation, we propose Multimodal Crystal Flow (MCFlow), a unified multimodal flow model that realizes multiple crystal generation tasks as distinct inference trajectories via independent time variables for atom types and crystal structures. To enable multimodal flow in a standard transformer model, we introduce a composition- and symmetry-aware atom ordering with hierarchical permutation augmentation, injecting compositional and crystallographic priors without explicit structural templates. Experiments on the MP-20 and MPTS-52 benchmarks show that a single MCFlow model is competitive with task-specific baselines across CSP, DNG, and structure-conditioned atom type generation.
Authors: Yining Hong, Huang Huang, Manling Li, Li Fei-Fei, Leonidas Guibas, Jiajun Wu, Yejin Choi
Abstract: Embodied LLMs endow robots with high-level task reasoning, but they cannot reflect on what went wrong or why, turning deployment into a sequence of independent trials where mistakes repeat rather than accumulate into experience. Drawing upon human reflective practitioners, we introduce Reflective Test-Time Planning, which integrates two modes of reflection: \textit{reflection-in-action}, where the agent uses test-time scaling to generate and score multiple candidate actions using internal reflections before execution; and \textit{reflection-on-action}, which uses test-time training to update both its internal reflection model and its action policy based on external reflections after execution. We also include retrospective reflection, allowing the agent to re-evaluate earlier decisions and perform model updates with hindsight for proper long-horizon credit assignment. Experiments on our newly-designed Long-Horizon Household benchmark and MuJoCo Cupboard Fitting benchmark show significant gains over baseline models, with zero-shot generalization to photorealistic HM3D environments and real-robot experiments on a Franka Panda arm. Ablations confirm that reflection-in-action and reflection-on-action are mutually dependent, and that retrospective reflection achieves better credit assignment than step-wise external feedback at lower computational overhead. Qualitative analyses further highlight behavioral correction through reflection.
Authors: Gal Pomerants, Yaniv Nikankin, Anja Reusch, Tomer Tsaban, Ora Schueler-Furman, Yonatan Belinkov
Abstract: Protein sequences are abundant in repeating segments, both as exact copies and as approximate segments with mutations. These repeats are important for protein structure and function, motivating decades of algorithmic work on repeat identification. Recent work has shown that protein language models (PLMs) identify repeats, by examining their behavior in masked-token prediction. To elucidate their internal mechanisms, we investigate how PLMs detect both exact and approximate repeats. We find that the mechanism for approximate repeats functionally subsumes that of exact repeats. We then characterize this mechanism, revealing two main stages: PLMs first build feature representations using both general positional attention heads and biologically specialized components, such as neurons that encode amino-acid similarity. Then, induction heads attend to aligned tokens across repeated segments, promoting the correct answer. Our results reveal how PLMs solve this biological task by combining language-based pattern matching with specialized biological knowledge, thereby establishing a basis for studying more complex evolutionary processes in PLMs.
Authors: Lingfeng He, De Cheng, Huaijie Wang, Xi Yang, Nannan Wang, Xinbo Gao
Abstract: Continual Learning (CL) requires models to sequentially adapt to new tasks without forgetting old knowledge. Recently, Low-Rank Adaptation (LoRA), a representative Parameter-Efficient Fine-Tuning (PEFT) method, has gained increasing attention in CL. Several LoRA-based CL methods reduce interference across tasks by separating their update spaces, typically building the new space from the estimated null space of past tasks. However, they (i) overlook task-shared directions, which suppresses knowledge transfer, and (ii) fail to capture truly effective task-specific directions since these ``null bases" of old tasks can remain nearly inactive for new task under correlated tasks. To address this, we study LoRA learning capability from a projection energy perspective, and propose Low-rank Decomposition and Adaptation (LoDA). It performs a task-driven decomposition to build general and truly task-specific LoRA subspaces by solving two energy-based objectives, decoupling directions for knowledge sharing and isolation. LoDA fixes LoRA down-projections on two subspaces and learns robust up-projections via a Gradient-Aligned Optimization (GAO) approach. After each task, before integrating the LoRA updates into the backbone, LoDA derives a closed-form recalibration for the general update, approximating a feature-level joint optimum along this task-shared direction. Experiments indicate that LoDA outperforms existing CL methods. Our code is available at https://github.com/HHHLF/LoDA_ICML2026.
Authors: Idelfonso B. R. Nogueira, Carine M. Rebello, Mumin Enis Leblebici, Erick Giovani Sperandio Nascimento
Abstract: MultiPUFFIN is a domain-informed multimodal foundation model for predicting thermophysical properties of small molecules, addressing a critical gap in chemical engineering, drug discovery, and materials science. Existing molecular foundation models pretrain on millions of molecules to learn general-purpose representations, but their standard MLP output layers impose no physical constraints, vapor pressure predictions may violate monotonic temperature dependence, and viscosity curves may lack the functional form required by process simulators. Domain-informed approaches that guarantee thermodynamic consistency have remained limited to single properties and small datasets, whereas multimodal foundation models have focused on biological activity rather than thermophysical properties. MultiPUFFIN fills this gap by fusing SMILES sequences, 2D molecular graphs, and 3D conformer geometries through bidirectional cross-modal attention and gated fusion, supplemented by auxiliary encoders for experimental conditions and molecular descriptors. The backbone is pretrained on 500,000 unlabelled PubChem molecules using three complementary self-supervised objectives. A condition-aware refinement stack of five conditioners (temperature, pH, pressure, polymorph, and measurement method) routes each property to a four-head tournament that selects the best-performing thermodynamically informed head for that property. MultiPUFFIN achieves a mean test R2 of 0.784 and outperforms fine-tuned ChemBERTa-2 on all nine properties despite training on roughly 2,000x fewer labeled molecules.
Authors: Diyuan Wu, Lehan Chen, Theodor Misiakiewicz, Marco Mondelli
Abstract: It is increasingly common in machine learning to use learned models to label data and then employ such data to train more capable models. The phenomenon of weak-to-strong generalization exemplifies the advantage of this two-stage procedure: a strong student is trained on imperfect labels obtained from a weak teacher, and yet the strong student outperforms the weak teacher. In this paper, we show that the potential improvement is substantial, in the sense that it affects the scaling law followed by the test error. Specifically, we consider students and teachers trained via random feature ridge regression (RFRR). Our main technical contribution is to derive a deterministic equivalent for the excess test error of the student trained on labels obtained via the teacher. Via this deterministic equivalent, we then identify regimes in which the scaling law of the student improves upon that of the teacher, unveiling that the improvement can be achieved both in bias-dominated and variance-dominated settings. Strikingly, the student may attain the minimax optimal rate regardless of the scaling law of the teacher -- in fact, when the test error of the teacher does not even decay with the sample size.
Authors: Yuqi Xu, Rizhen Hu, Zihan Liu, Mou Sun, Kun Yuan
Abstract: Traditional Mixture-of-Experts (MoE) training typically proceeds without any structural priors, effectively requiring the model to simultaneously train expert weights while searching for an optimal routing policy within a vast combinatorial space. This entanglement often leads to sluggish convergence and training instabilities. This paper introduces Grouter, a preemptive routing method that by distilling high-quality structures from fully-trained MoE models and serving as a fixed router for target models. By decoupling structural optimization from weight updates, Grouter significantly accelerates both the speed and quality of model convergence. To ensure the framework's versatility, we also introduce expert folding to adapt Grouter across varying model configurations and expert tuning to rebalance workloads across different data distributions. Furthermore, by leveraging the structural priors provided by preemptive routing, we can implement targeted optimizations to further enhance training throughput. Experiments demonstrate that Grouter achieves superior performance and efficiency which boosts pre-training data utilization by 4.28x and achieves up to 33.5% throughput acceleration, establishing preemptive routing as a fundamental paradigm for scalable MoE training. We publicly release our code and pretrained Grouter checkpoints at https://github.com/JimmyAwoe/Grouter.
Authors: Irene Wang, Vishnu Varma Venkata, Arvind Krishnamurthy, Divya Mahajan
Abstract: The growing scale of deep learning demands distributed training frameworks that jointly reason about parallelism, memory, and network topology. Prior works often rely on heuristic or topology-agnostic search, handling communication and memory separately. Without per-device memory awareness, these methods typically ensure feasibility post hoc by sharding parameters and activations across many devices, increasing synchronization, inflating communication, and underutilizing compute-limiting scalability and efficiency on real datacenter networks. We present NEST, a network-, compute-, and memory-aware device placement framework that unifies model parallelism, topology modeling, and memory feasibility via structured dynamic programming. NEST's DP operates on operator graphs with tensor and expert parallel configurations, explicit allreduce latencies across hierarchical or arbitrary networks, and memory/compute profiles. By factoring parallelism across tensor, pipeline, data, and expert dimensions, NEST defines a principled search space for hybrid strategies while jointly optimizing co-location, network latency, and memory feasibility. Evaluations across diverse hardware and networks show NEST achieves up to 2.43 times higher throughput, better memory efficiency, and improved scalability over state-of-the-art baselines, providing a foundation for co-designing parallelization strategies and datacenter interconnects for next-generation AI infrastructure. The source code of NEST is available at: https://github.com/scai-tech/Nest
Authors: Jianlu Shen, Fu Feng, Yucheng Xie, Jiaqi Lv, Xin Geng
Abstract: Transferring knowledge by fine-tuning large-scale pre-trained networks has become a standard paradigm for downstream tasks, yet the knowledge of a pre-trained model is tightly coupled with monolithic architecture, which restricts flexible reuse across models of varying scales. In response to this challenge, recent approaches typically resort to either parameter selection, which fails to capture the interdependent structure of this knowledge, or parameter prediction using generative models that depend on impractical access to large network collections. In this paper, we empirically demonstrate that a model's foundational, task-agnostic knowledge, its "learngene", is encoded within the low-frequency components of its weights, and can be efficiently inherited by downstream models. Based on this insight, we propose FRONT (FRequency dOmain kNowledge Transfer), a novel framework that uses the Discrete Cosine Transform (DCT) to isolate the low-frequency "learngene". This learngene can be seamlessly adapted to initialize models of arbitrary size via simple truncation or padding, a process that is entirely training-free. For enhanced performance, we propose an optional low-cost refinement process that introduces a spectral regularizer to further improve the learngene's transferability. Extensive experiments demonstrate that FRONT achieves the state-of-the-art performance, accelerates convergence by up to 15 times in vision tasks, and reduces training FLOPs by an average of 40.5% in language tasks.
Authors: Irene Iele, Floriano Caprio, Paolo Soda, Matteo Tortora
Abstract: Forecasting physiological signals can support proactive monitoring and timely clinical intervention by anticipating critical changes in patient status. In this work, we address multivariate multi-horizon forecasting of physiological time series by jointly predicting heart rate, oxygen saturation, pulse rate, and respiratory rate at forecasting horizons of 15, 30, and 60 seconds. We propose a hybrid quantum-classical architecture that integrates a Variational Quantum Circuit (VQC) within a recurrent neural backbone. A GRU encoder summarizes the historical observation window into a latent representation, which is then projected into quantum angles used to parameterize the VQC. The quantum layer acts as a learnable non-linear feature mixer, modeling cross-variable interactions before the final prediction stage. We evaluate the proposed approach on the BIDMC PPG and Respiration dataset under a Leave-One-Patient-Out protocol. The results show competitive accuracy compared with classical and deep learning baselines, together with greater robustness to noise and missing inputs. These findings suggest that hybrid quantum layers can provide useful inductive biases for physiological time series forecasting in small-cohort clinical settings. The code is available at https://github.com/arco-group/quantum-ml.
Authors: Zhiwei Bai, Jiajie Zhao, Zhangchen Zhou, Zhi-Qin John Xu, Yaoyu Zhang
Abstract: Adam is a widely used optimization algorithm in deep learning, yet the specific class of objective functions where it exhibits inherent advantages remains underexplored. Unlike prior studies requiring external schedulers and $\beta_2$ near 1 for convergence, this work investigates the ``natural'' auto-convergence properties of Adam. We identify a class of highly degenerate polynomials where Adam converges automatically without additional schedulers. Specifically, we derive theoretical conditions for local asymptotic stability on degenerate polynomials and demonstrate strong alignment between theoretical bounds and experimental results. We prove that Adam achieves local linear convergence on these degenerate functions, significantly outperforming the sub-linear convergence of Gradient Descent and Momentum. This acceleration stems from a decoupling mechanism between the second moment $v_t$ and squared gradient $g_t^2$, which exponentially amplifies the effective learning rate. Finally, we characterize Adam's hyperparameter phase diagram, identifying three distinct behavioral regimes: stable convergence, spikes, and SignGD-like oscillation.
Authors: Haitong Ma, Chenxiao Gao, Tianyi Chen, Na Li, Bo Dai
Abstract: A commonly used family of RL algorithms for diffusion policies conducts softmax reweighting over samples from the behavior policy, which often induces an overgreedy policy and fails to utilize feedback from negative samples. In this work, we introduce GeMPO, a simple and unified framework that generalizes reweighting scheme in diffusion RL from softmax to general monotonic functions. GeMPO revisits diffusion RL via a measure matching perspective: First, we construct a virtual target policy measure via solving a regularized policy optimization objective; Second, we minimize the divergence between the current policy and this target measure through reweighted flow matching. This formulation offers two key advantages: i) It extends weight design beyond traditional exponential reweighting, allowing it to be tailored to diverse reward landscapes; and ii) by relaxing the non-negativity constraint on the target measure, our framework provides a principled justification for negative reweighting. We provide interpretations of how negative reweighting actively repels the policy from suboptimal actions and thus facilitates exploration. Extensive empirical evaluations demonstrate that GeMPO achieves competitive or superior performance by leveraging these flexible weighting schemes, and we provide practical guidelines for selecting reweighting methods in practice.
Authors: Amon Lahr, Anna Scampicchio, Johannes K\"ohler, Melanie N. Zeilinger
Abstract: Non-conservative uncertainty bounds are essential for making reliable predictions about latent functions from noisy data, and thus, a key enabler for safe learning-based control. In this domain, kernel methods such as Gaussian process regression are established techniques, thanks to their inherent uncertainty quantification mechanism. Still, existing bounds either pose strong assumptions on the underlying noise distribution, are conservative, do not directly apply in the multi-output case, or are difficult to integrate into downstream tasks. This paper addresses these limitations by presenting a tight, deterministic bound for multi-output functions in Reproducing Kernel Hilbert Spaces (RKHSs) subject to bounded noise. It is obtained through an unconstrained, duality-based formulation, which shares the same structure as classic Gaussian process confidence bounds, and can thus be straightforwardly integrated into downstream optimization pipelines. We show that the proposed bound generalizes existing results and illustrate its application using an example inspired by quadrotor dynamics learning.
Authors: Abinav Rao, Sujan Rachuri
Abstract: Unified multimodal models share a language model backbone for both understanding and generating images. Can DPO align both capabilities simultaneously? We present the first systematic study of this question, applying DPO to Janus-Pro at 1B and 7B parameters under seven training strategies and two post-hoc methods. The central finding is negative: generation quality resists DPO alignment across all tested conditions on this architecture. No method improves generation CLIPScore at 7B (|Delta| < 0.2, p > 0.5 at n=200 per seed, 3 seeds); at 1B, all methods degrade generation, and the result holds across preference data types (real-vs-generated and model-vs-model) and the data volumes tested (150-288 pairs). Gradient analysis reveals why: understanding and generation gradients are near-orthogonal (cos ~ 0) with ~11-14x magnitude imbalance driven by VQ token count asymmetry (576 generation tokens vs. ~30-100 text tokens). This imbalance is the dominant interference mechanism in multi-task DPO; magnitude-balancing yields directionally positive understanding deltas (+0.01-0.04 VQA, though individually not significant), but the generation gap persists regardless. We identify discrete VQ tokenization as a likely structural bottleneck -- supported by the generation DPO loss converging to ln(2) -- and provide practical guidance for practitioners working with VQ-based unified models.
Authors: Elnaz Rahmati, Nona Ghazizadeh, Zhivar Sourati, Nina Rouhani, Morteza Dehghani
Abstract: A foundational principle in cognitive science holds that intelligent agents do not learn by storing experiences as isolated instances, but by forming abstract schemas that capture relational structure shared across situations. Even though this claim is well supported by behavioral and neuroimaging studies, its role as a computational training signal in language models remains underexplored. We target this gap in the setting of non-stationary language model training, asking does biasing learning toward structural abstraction reduce catastrophic interference and improve relational generalization as predicted by human results? To study this question, we introduce Abstraction-Augmented Training (AAT), a lightweight loss-level modification that jointly optimizes over concrete instances and their structural abstractions, and two benchmarks, the Relational Cycle Benchmark (RCB) and the Narrative Abstraction Benchmark (NAB). These resources operationalize core cognitive constructs: entity masking as a computational analog of relational alignment, and proverbs as vehicles for implicit abstract meaning that must be inferred across surface-dissimilar situations. Our empirical results demonstrate that AAT consistently reduces forgetting and improves generalization in a pattern that aligns with cognitive predictions for schema-based learning. Beyond the practical implications for continual learning, these results offer preliminary computational evidence that structural abstraction is a signal for stable learning in non-stationary environments.
Authors: Haechan Kim, Soohyun Ryu, Gyouk Chu, Doohyuk Jang, Eunho Yang
Abstract: Reinforcement learning with verifiable rewards (RLVR) has emerged as an effective post-training paradigm for improving the reasoning capabilities of large language models. However, existing group-based RLVR methods often suffer from severe sample inefficiency. This inefficiency stems from reliance on point estimation of rewards from a small number of rollouts, leading to high estimation variance, variance collapse, and ineffective utilization of generated responses. In this work, we reformulate RLVR from a statistical estimation perspective by modeling rewards as samples drawn from a policy-induced distribution and casting advantage computation as the problem of estimating the reward distribution from finite data. Building on this view, we propose Discounted Beta-Bernoulli (DBB) reward estimation, which leverages historical reward statistics for the non-stationary distribution. Although biased, the resulting estimator exhibits reduced and stable variance, theoretically avoids estimated variance collapse, and achieves lower mean squared error than standard point estimation. Extensive experiments across six in-distribution and three out-of-distribution reasoning benchmarks demonstrate that GRPO with DBB consistently outperforms naive GRPO, achieving average Acc@8 improvements of 3.22/2.42 points in-distribution and 12.49/6.92 points out-of-distribution on the 1.7B and 8B models, respectively, without additional computational cost or memory usage.
Authors: Yijun Wang, Qiyuan Zhuang, Xiu-Shen Wei
Abstract: Real-world time series exhibit temporally structured uncertainty: volatility clusters in turbulent regimes, dissipates in stable periods, and shifts abruptly around structural breaks. Yet many probabilistic forecasting methods estimate predictive uncertainty as an independent per-step quantity, leaving the evolution and persistence of volatility regimes under-modeled. We formalize this missing dimension as Temporal Uncertainty Dynamics and instantiate it in the Volatility Dynamics Variational Autoencoder (VolDy-VAE), a non-autoregressive generative forecaster with a location-scale decoder. VolDy-VAE combines a location path for mean prediction with a recurrent scale path that transfers and evolves a volatility hidden state from the look-back window to the forecasting horizon, enabling temporally coherent predictive variances. This design yields an adaptive attenuation mechanism: high-variance observations receive lower influence on the location estimate while their uncertainty is preserved through explicit scale predictions. We further provide a simplified regime-switching analysis showing that, when variances are known or consistently estimated, the volatility-aware objective reduces to inverse-variance weighting, whereas MSE-based estimators remain unbiased but statistically inefficient. Experiments on nine benchmarks show that VolDy-VAE improves forecasting accuracy and uncertainty calibration over strong probabilistic and point-forecasting baselines while maintaining low inference latency; plug-in studies further indicate that the VolDy principle can benefit GAN, Koopman VAE, and Transformer backbones. The source code is publicly available at https://github.com/wangyijunlyy/VolDy-VAE.
Authors: Tran Duong Minh Dai, Triet Huynh Minh Le, M. Ali Babar, Van-Hau Pham, Phan The Duy
Abstract: Although Graph Neural Networks (GNNs) have shown promise for smart contract vulnerability detection, they still face significant limitations. Homogeneous graph models fail to capture the interplay between control flow and data dependencies, while heterogeneous graph approaches often lack deep semantic understanding, leaving them susceptible to adversarial attacks. Moreover, most black-box models fail to provide explainable evidence, hindering trust in professional audits. To address these challenges, we propose ORACAL (Observable RAG-enhanced Analysis with CausAL reasoning), a heterogeneous multimodal graph learning framework that integrates Control Flow Graph (CFG), Data Flow Graph (DFG), and Call Graph (CG). ORACAL selectively enriches critical subgraphs with expert-level security context from Retrieval-Augmented Generation (RAG) and Large Language Models (LLMs), and employs a causal attention mechanism to disentangle true vulnerability indicators from spurious correlations. For transparency, the framework adopts PGExplainer to generate subgraph-level explanations identifying vulnerability triggering paths. Experiments on large-scale datasets demonstrate that ORACAL achieves state-of-the-art performance, outperforming MANDO-HGT, MTVHunter, GNN-SC, and SCVHunter by up to 39.6 percentage points, with a peak Macro F1 of 91.28% on the primary benchmark. ORACAL maintains strong generalization on out-of-distribution datasets with 91.8% on CGT Weakness and 77.1% on DAppScan. In explainability evaluation, PGExplainer achieves 32.51% Mean Intersection over Union (MIoU) against manually annotated vulnerability triggering paths. Under adversarial attacks, ORACAL limits performance degradation to approximately 2.35% F1 decrease with an Attack Success Rate (ASR) of only 3%, surpassing SCVHunter and MANDO-HGT which exhibit ASRs ranging from 10.91% to 18.73%.
Authors: Haoyu Zheng, Yongqiang Zhang, Fangcheng Fu, Xiaokai Zhou, Hao Luo, Hongchao Zhu, Yuanyuan Zhu, Hao Wang, Xiao Yan, Jiawei Jiang
Abstract: To schedule LLM inference, the \textit{shortest job first} (SJF) principle is favorable by prioritizing requests with short output lengths to avoid head-of-line (HOL) blocking. Existing methods usually predict a single output length for each request to facilitate scheduling. We argue that such a \textit{point estimate} does not match the \textit{stochastic} decoding process of LLM inference, where output length is \textit{uncertain} by nature and determined by when the end-of-sequence (EOS) token is sampled. Hence, the output length of each request should be fitted with a distribution rather than a single value. With an in-depth analysis of empirical data and the stochastic decoding process, we observe that output length follows a heavy-tailed distribution and can be fitted with the log-t distribution. On this basis, we propose a simple metric called Tail Inflated Expectation (TIE) to replace the output length in SJF scheduling, which adjusts the expectation of a log-t distribution with its tail probabilities to account for the risk that a request generates long outputs. To evaluate our TIE scheduler, we compare it with three strong baselines, and the results show that TIE reduces the per-token latency by $2.31\times$ for online inference and improves throughput by $1.42\times$ for offline data generation.
Authors: Rafael da Silva, Jeff Eicher, Gregory Longo
Abstract: Student dropout is a persistent concern in Learning Analytics, yet comparative studies frequently evaluate predictive models under heterogeneous protocols, prioritizing discrimination over temporal interpretability and calibration. This study introduces a survival-oriented benchmark for temporal dropout risk modelling using the Open University Learning Analytics Dataset (OULAD). Two harmonized arms are compared: a dynamic weekly arm, with models in person-period representation, and a comparable continuous-time arm, with an expanded roster of families -- tree-based survival, parametric, and neural models. The evaluation protocol integrates four analytical layers: predictive performance, ablation, explainability, and calibration. Results are reported within each arm separately, as a single cross-arm ranking is not methodologically warranted. Within the comparable arm, Random Survival Forest leads in discrimination and horizon-specific Brier scores; within the dynamic arm, Poisson Piecewise-Exponential leads narrowly on integrated Brier score within a tight five-family cluster. No-refit bootstrap sampling variability qualifies these positions as directional signals rather than absolute superiority. Ablation and explainability analyses converged, across all families, on a shared finding: the dominant predictive signal was not primarily demographic or structural, but temporal and behavioral. Calibration corroborated this pattern in the better-discriminating models, with the exception of XGBoost AFT, which exhibited systematic bias. These results support the value of a harmonized, multi-dimensional benchmark in Learning Analytics and situate dropout risk as a temporal-behavioral process rather than a function of static background attributes.
Authors: Fei Ding, Yongkang Zhang, youwei wang, Zijian Zeng
Abstract: Reinforcement learning for multi-step reasoning with large language models (LLMs) typically relies on sparse terminal rewards, which creates a poorly conditioned credit-assignment problem: the final feedback is propagated uniformly across all intermediate decisions. This leads to high gradient variance, unstable training, and many ineffective updates, ultimately limiting sustained model improvement. We propose a counterfactual-comparison framework for credit assignment. For each input, the framework samples multiple reasoning trajectories and treats their differences as implicit approximations to alternative decisions. This yields an implicit process-level advantage estimator that converts sparse terminal rewards into step-sensitive learning signals. Building on this framework, we introduce Implicit Behavior Policy Optimization (IBPO), which substantially improves training stability and the performance ceiling on mathematical and code-reasoning benchmarks. Our results point to a promising direction for unlocking the reasoning potential of LLMs.
Authors: Yaocheng Zhang, Yuanheng Zhu, Wenyue Chong, Songjun Tu, Qichao Zhang, Jiajun Chai, Xiaohan Wang, Wei Lin, Guojun Yin, Dongbin Zhao
Abstract: Deep search agents have emerged as a promising paradigm for addressing complex information-seeking tasks, but their training remains challenging due to sparse rewards, weak credit assignment, and limited labeled data. Self-play offers a scalable route to reduce data dependence, but conventional self-play optimizes students only through sparse outcome rewards, leading to low learning efficiency. In this work, we observe that self-play naturally produces a question construction path (QCP) during task generation, an intermediate artifact that captures the reverse solution process. This reveals a new source of privileged information: self-play can provide high-quality privileged information for the self-distillation at low cost and at scale, without relying on human feedback or curated privileged information. Leveraging this insight, we propose Privileged Information Self-Play ($\pi$-Play), a novel multi-agent self-evolution framework combining self-play and self-distillation. In $\pi$-Play, an examiner generates tasks together with QCPs, and a teacher employs QCP as privileged context to densely supervise a student via self-distillation. This design transforms sparse-reward self-play into a dense-feedback co-evolution. Extensive experiments show that data-free $\pi$-Play surpasses fully supervised search agents and improves evolutionary efficiency by 2-3$\times$ over conventional self-play. Code is available at https://github.com/zhyaoch/pi-play.
Authors: Dixi Yao, Tahseen Rabbani, Manzil Zaheer, Tian Li
Abstract: We propose a federated learning-like framework, Federation over Text (FoT), that enables multiple clients solving different tasks to collectively generate a shared library of metacognitive insights by iteratively federating their local reasoning processes without sharing actual problem instances or task instructions. Instead of federation over gradients (e.g., as in distributed training), FoT operates at the semantic level without any gradient optimization or supervision signal. Iteratively, each client runs an LLM agent that does local thinking and self-improvement on their specific tasks independently, and shares reasoning traces with a central server, which aggregates and distills them into a cross-task (and cross-domain) insight library that existing and future agents can leverage to improve performance on related tasks. Experiments show that FoT improves reasoning effectiveness and efficiency across a wide range of challenging applications, including mathematical problem solving, cross-domain collaboration, real-world daily tasks, and machine learning research insight discovery. Specifically, it improves average performance scores by 25% while reducing the reasoning tokens by 4% across the first three applications. In the research insight discovery application, FoT is able to generate insights that cover over 80% of the major contributions in the subsequent papers.
Authors: Fei Ding, Yongkang Zhang, Runhao Liu, Yuhao Liao, Zijian Zeng, Huiming Yang, Sibo wang, Linglin Liao
Abstract: This paper investigates the length problem in sequence-level relative reinforcement learning. We observe that, although existing methods partially alleviate length-related phenomena, a more fundamental issue remains insufficiently characterized: the comparison units used during training lack inherent comparability. Building on this observation, we propose a new perspective: the length problem should not be viewed merely as a loss-scaling or normalization bias, but rather as a \emph{comparison unit construction} problem. We further establish a sample-construction-based training framework that, instead of applying post-hoc corrections to unequal-length responses, proactively constructs equal-length, alignable, and comparable training segments during generation. Within this framework, we propose EqLen, a concrete method applicable to group-relative comparison algorithms such as GRPO, GSPO, and RLOO. Through dual-track synchronous generation, prefix inheritance, and segment masking, EqLen efficiently collects effective equal-length training segments and enables stable
Authors: Hen Davidov, Nachshon Cohen, Oren Kalinsky, Yaron Fairstein, Guy Kushilevitz, Ram Yazdi, Patrick Rebeschini
Abstract: LLMs utilizing chain-of-thought reasoning often waste substantial compute by producing long, incorrect responses. Abstention can mitigate this by withholding outputs unlikely to be correct. While most abstention methods decide to withhold outputs before or after generation, dynamic mid-generation abstention considers early termination of unpromising reasoning traces at each token position. Prior work has explored empirical variants of this idea, but principled guidance for the abstention rule remains lacking. We present a formal analysis of dynamic abstention for LLMs, modeling abstention as an explicit action within a regularized reinforcement learning framework. An abstention reward parameter controls the trade-off between compute and information. We show that abstaining when the value function falls below this reward strictly outperforms natural baselines under general conditions. We further derive a principled and efficient method to approximate the value function. Empirical results on mathematical reasoning and toxicity avoidance tasks support our theory and demonstrate improved selective accuracy over existing methods.
Authors: Hugo Lyons Keenan, Christopher Leckie, Sarah Erfani
Abstract: We can often verify the correctness of neural network outputs using ground truth labels, but we cannot reliably determine whether the output was produced by normal or anomalous internal mechanisms. Mechanistic anomaly detection (MAD) aims to flag these cases, but existing methods either depend on latent space analysis, which is vulnerable to obfuscation, or are specific to particular architectures and modalities. We reframe MAD as a functional attribution problem: asking to what extent samples from a trusted set can explain the model's output, where attribution failure signals anomalous behavior. We operationalize this using influence functions, measuring functional coupling between test samples and a small reference set via parameter-space sampling. We evaluate across multiple anomaly types and modalities. For backdoors in vision models, our method achieves state-of-the-art detection on BackdoorBench, with an average Defense Effectiveness Rating (DER) of 0.93 across seven attacks and four datasets (next best 0.83). For LLMs, we similarly achieve a significant improvement over baselines for several backdoor types, including on explicitly obfuscated models. Beyond backdoors, our method can detect adversarial and out-of-distribution samples, and distinguishes multiple anomalous mechanisms within a single model. Our results establish functional attribution as an effective, modality-agnostic tool for detecting anomalous behavior in deployed models.
Authors: Yusuf Kesmen, Fay Elhassan, Jiayi Ma, Julien Stalhandske, Yena Chang, David Sasu, Alexandra Kulinkina, Akhil Arora, Lars Klein, Mary-Anne Hartley
Abstract: Large language models (LLMs) are increasingly used for conversational clinical decision support, yet they conflate next token prediction with probabilistic decision making. We argue that this conflation reflects an architectural limitation: such systems lack explicit posterior tracking, controllable abstention thresholds, and auditable reasoning chains. We introduce MoBayes, a Modular Bayesian dialogue framework that separates reasoning from language. The LLM acts only as a language interface, parsing patient conversation into structured observations, while a Bayesian module performs probabilistic inference over these observations to update posteriors, select follow-up questions via expected-information-gain and determine when to stop or defer through calibrated decision thresholds. This design enables explicit posterior tracking, controllable selective decision-making, and replaceable population-specific statistical backends without retraining the language model. Across empirical and LLM-generated knowledge bases, MoBayes outperforms standalone frontier LLM doctors, including matched model-family comparisons where inexpensive sensor models paired with MoBayes exceed larger autonomous models at lower cost. The advantage persists under adversarial patient communication styles and across varying diagnostic scenarios. These results suggest that reliable conversational clinical decision support systems should separate probabilistic reasoning from language generation rather than scaling model size alone. Code is available at https://anonymous.4open.science/r/MoBayes/
Authors: Jie Hu, Lingyun Chen, Geeho Kim, Jinyoung Choi, Bohyung Han, Do Young Eun
Abstract: History-dependent sampling can reduce long-run Monte Carlo variance by discouraging redundant revisits, but existing schemes typically encode history through empirical measure on finite state spaces, which is infeasible in high-dimensional discrete configuration spaces or ill-posed in continuous domains. We propose Score-Repellent Monte Carlo (SRMC) framework that summarizes trajectory history by a running average of score evaluations in $\mathbb{R}^d$, where $d$ is the dimension of the score and state representation. This history is converted into a surrogate target through an exponential score tilt, indexed with $\alpha$ that represents the strength of repellence in controlling the magnitude of the history-based repulsion. The surrogate family is normalization-free in the standard MCMC sense, yielding a generic wrapper: at each iteration, any base kernel targeting $\pi$ can instead be run on the current surrogate $\pi_{\theta_n}$ while the history is updated online. We analyze the coupled evolution of the history recursion and Monte Carlo estimators using stochastic approximation with controlled Markovian noise, establishing almost sure convergence and a joint central limit theorem. We further identify regimes in which the asymptotic covariance decreases as $\alpha$ increases, with scaling $O(1/\alpha)$, extending the near-zero-variance effect of finite-state history-dependent samplers to general state spaces with constant memory. Experiments on continuous targets and discrete energy-based models demonstrate improved estimator variance and mode coverage, while retaining $O(d)$ memory usage and modest per-iteration overhead.
Authors: Natanael Alpay, Emeric Battaglia
Abstract: Stochastic Gradient Descent (SGD) is a known stochastic iterative method popular for large-scale convex optimization problems due to its simple implementation and scalability. Some objectives, such as those found in complex-valued neural networks, benefit from updates like in SGD and Gradient Descent (GD) with a newly defined ``gradient'' that allows for complex parameters. This complex variant of the SGD/GD methods has already been proposed, but convergence guarantees without analyticity constraints have not yet been provided. We propose a variant of SGD (complex SGD) that allows for complex parameters, and we provide convergence guarantees under assumptions that parallel those from the real setting. Notably, these results extend to GD as well, and with the same set of assumptions, we confirm that some directional bias results extend from the real to the complex setting for kernel regression problems. We provide empirical results demonstrating the efficacy of the complex SGD in kernel regression problems utilizing complex reproducing kernel Hilbert spaces. In particular, we demonstrate we may recover superoscillation functions and Blaschke products from the Fock Space and Hardy Space, respectively, as the optimal functions for a particular choice of a loss function.
Authors: Zhi Chen, Cheng Peng, Wei Tang
Abstract: Robust forecast aggregation combines the predictions of multiple information sources to perform well in the worst case across all possible information structures. Previous work largely focuses on settings with a known binary state space, where the state is either 0 or 1. We study prior-agnostic robust forecast aggregation in which the aggregator observes only experts' reports, yet is ignorant of both the underlying joint information structure and the full prior, including the underlying state space. Unlike the standard model that fixes the binary state space {0, 1}, we allow the (binary) unknown state values to be arbitrary numbers in [0, 1], so the same reported probability may correspond to very different realized outcome frequencies across environments. Our main contribution is a simple, explicit, closed-form log-odds aggregator that linearly pools forecasts in logit space, together with (nearly-)tight minimax-regret guarantees across three knowledge regimes. We first show that under conditionally independent (CI) signals, robust aggregation with an unknown state space is strictly harder than in the known-state setting by establishing a larger lower bound, and our aggregation rule can achieve a worst-case regret of 0.0255. Along the way, we also characterize tight regret bounds for Blackwell-ordered structures and for general information structures. In the classical setting with known state space {0,1}, our aggregator achieves regret strictly below 0.0226 for CI structures. To the best of our knowledge, this is the first explicit closed-form aggregator that achieves a regret upper bound strictly less than 0.0226. Finally, we extend the model where the aggregator additionally knows each expert's marginal forecast distribution; in this setting, with the CI structures, we show that a generalized log-odds rule achieves regret of 0.0228, complementing with a lower bound of 0.0225.
Authors: Yongquan Yang
Abstract: This article philosophically examines how shifts in assumptions regarding the existence and non-existence of the true target (TT) give rise to new perspectives and insights for machine learning (ML)-based predictive modeling and, correspondingly, proposes a knowledge system for evaluation and learning under Democratic Supervision. By systematically analysing the existence assumption of the TT in current mainstream ML paradigms, we explicitly adopt a negative ontology perspective, positing that the TT does not objectively exist in the real world, and, grounded in this non-existence assumption, define Democratic Supervision for ML. We further present Multiple Inaccurate True Targets (MIATTs) as an instance-level realization of Democratic Supervision. Building upon MIATTs, we derive principles, for the logic-driven generation and assessment of MIATTs, a logical assessment formulation for evaluation with MIATTs, and undefinable true target learning for learning with MIATTs. Based on these components, we establish the evaluation and learning with MIATTs (EL-MIATTs) framework for ML-based predictive modelling. A real-world application demonstrates the potential of the proposed EL-MIATTs framework in supporting education and professional development for individuals, aligning with prior discussions of Democratic Supervision in the fields of education and professional development.
Authors: Jiale Fu, Yuchu Jiang, Peijun Wu, Chonghan Liu, Joey Tianyi Zhou, Xu Yang
Abstract: Model ensembling is a well-established technique for improving the performance of machine learning models. Conventionally, this involves averaging the output distributions of multiple models and selecting the most probable label. This idea has been naturally extended to large language models (LLMs), yielding improved performance but incurring substantial computational cost. This inefficiency stems from directly applying conventional ensemble implementation to LLMs, which require a separate forward pass for each model to explicitly compute the ensemble distribution. In this paper, we propose the Mixture-model-like Ensemble (ME). By reinterpreting the ensemble as a mixture model, ME stochastically selects a single model at each step to generate the next token, thereby avoiding the need to explicitly compute the full ensemble distribution. ME is mathematically equivalent to sampling from the ensemble distribution, but requires invoking only one model, making it 1.78x-2.68x faster than conventional ensembling. Furthermore, this perspective connects LLM ensembling and token-level routing methods, suggesting that LLM ensembling is a special case of routing methods. Our findings open new avenues for efficient LLM ensembling and motivate further exploration of token-level routing strategies for LLMs. Our code is available at https://github.com/Kamichanw/Mixture-model-like-Ensemble.
URLs: https://github.com/Kamichanw/Mixture-model-like-Ensemble.
Authors: Tanvi Sharma, Reza Rawassizadeh
Abstract: Training neural networks is difficult to interpret, particularly for newcomers. We introduce NeuroViz, an interactive visualization tool that supports real-time exploration of fully connected neural network training. Users can configure network architecture, activation functions, learning rates, and datasets, then observe activations, weight updates, and loss progression. NeuroViz visualizes weight changes in direct correspondence with activation signals in both forward and backward passes, enabling users to distinguish pre- and post-update states within individual epochs and view dynamically updating per-neuron equations. We conduct a comparative user study with 31 participants against six established visualization tools and we achieved the highest usability score (SUS 80.97, in the 'excellent' range), with mean rankings of 2.47 for clarity and 2.23 for usefulness (lower is better). Over 70% of participants reported that the visualizations substantially increased their perception of neural network training transparency. The implemented instance is accessible at https://neuroviz.org.
URLs: https://neuroviz.org.
Authors: Reza Rastegar
Abstract: Softmax routing approaches hard top-1 routing as the temperature tends to zero, but the limiting passage is singular at router ties. This paper develops a boundary-layer calculus for this soft-to-hard limit in population squared-loss mixture-of-experts regression. For a router with logits $a_k(x;\phi)$, the relevant local quantity is the top-two margin $\Delta(x;\phi)$, and the relevant global quantity is the boundary mass $\mathbb{P}(\Delta(X;\phi)\le w)$. Under smoothness and transversality assumptions, coarea and tubular-neighborhood estimates show how this mass scales with the slab width; in the binary case the leading coefficient is an explicit surface integral over the routing interface. These geometric estimates give quantitative bounds between the soft objective $L_\tau$ and the hard objective $L_0$, including an $O(\tau^\alpha)$ uniform comparison under a margin-tail condition, and yield $\Gamma$-convergence of the soft objectives on compact parameter spaces. The main conclusion is that the zero-temperature approximation is controlled by the probability carried by an $O(\tau)$ neighborhood of the routing interfaces, not by temperature alone. After isolating this boundary-layer part of the problem, we record a conditional landscape-transfer theorem from hard to small-temperature soft routing and a reduced two-expert Gaussian calculation illustrating local symmetry breaking. Synthetic diagnostics are included only as controlled checks of the boundary-layer predictions.
Authors: Chenye Yang, Weiyu Xu, Lifeng Lai
Abstract: Offline Reinforcement Learning from Human Feedback (RLHF) pipelines such as Direct Preference Optimization (DPO) train on a pre-collected preference dataset, which makes them vulnerable to preference poisoning attack. We study label flip attacks against log-linear DPO. We first illustrate that flipping one preference label induces a parameter-independent shift in the DPO gradient. Using this key property, we can then convert the targeted poisoning problem into a structured binary sparse approximation problem. To solve this problem, we develop two attack methods: Binary-Aware Lattice Attack (BAL-A) and Binary Matching Pursuit Attack (BMP-A). BAL-A embeds the binary flip selection problem into a binary-aware lattice and applies Lenstra-Lenstra-Lov\'asz reduction and Babai's nearest plane algorithm; we provide sufficient conditions that enforce binary coefficients and recover the minimum-flip objective. BMP-A adapts binary matching pursuit to our non-normalized gradient dictionary and yields coherence-based recovery guarantees and robustness (impossibility) certificates for $K$-flip budgets. Experiments on synthetic dictionaries and the Stanford Human Preferences dataset validate the theory and highlight how dictionary geometry governs attack success.
Authors: Sushovan Majhi, Atish Mitra, \v{Z}iga Virk, Pramita Bagchi
Abstract: We introduce PLACE (Persistence-Landmark Analytic Classification Engine), a closed-form pipeline for classifying point clouds and graphs through their persistent-homology signatures. Three quantitative guarantees -- a margin-based excess-risk rate, a closed-form descriptor-selection rule, and a per-prediction certificate -- are derived from training labels alone, with no learned weights or held-out calibration. The embedding sums Mitra-Virk single-point coordinate functions over a sparse landmark grid; the closed-form weight rule $w_k^2 \propto (d_{k+1}^2 - d_k^2)/R_k^2$ maximizes the distortion slope in Mitra-Virk's affine certificate under $\nu$-coherence. (i) An $O(kR/(\Delta\sqrt{m_{\min}}))$ margin bound, driven by class-mean separation $\Delta$ and embedding radius $R$, matched in the sample-starved regime $m \lesssim R/\Delta$ by a Le Cam minimax lower bound. (ii) The Mahalanobis margin under Ledoit-Wolf-shrunk covariance is the strongest closed-form ranker on a 64-descriptor chemical-graph pool (mean Spearman $\rho = +0.56$ across 11 benchmarks, positive on 10 of 11); the isotropic surrogate $\Delta/\sqrt{\ell}$ admits a closed-form selection-consistency rate on the homogeneous protein/social pools. (iii) A training-time-decided certificate, with no per-prediction overhead, in three concrete radii (Pinelis, Gaussian plug-in, and variance-aware Pinelis-Bernstein). Empirically, PLACE is the strongest diagram-based method on Orbit5k and matches the strongest topology-based baseline within statistical noise on MUTAG and COX2; remaining gaps fall into two diagnosable regimes (descriptor blindness on NCI1/NCI109; pool-coverage limits elsewhere). The Pinelis-Bernstein radius fires on 8 of the 12 benchmarks; on MUTAG the empirical and population nearest-centroid rules agree on every one of 940 held-out test predictions, validating the certificate's mechanism.
Authors: Zhenghao Huang, Huilin Yao, Kaikai Wang
Abstract: Surface electromyography provides a practical way to infer human movement intention from wearable muscle recordings, but models trained under a single acquisition setting often lose reliability when the user, session, electrode layout, or gesture protocol changes. This paper proposes AEMG, a self-supervised learning approach designed to extract reusable neuromuscular representations from diverse EMG sources. Eight public gesture datasets are first transformed into a shared signal format to reduce discrepancies in channel configuration, sensor topology, and recording protocol. Instead of relying on fixed-length sliding windows, AEMG identifies contraction events from energy variations and represents them as compact neuromuscular tokens, while ordered token groups describe the coordinated activity of multiple muscles during motion. A spatially and temporally conditioned Transformer is then used to encode these token sequences, preserving information about electrode position, activation timing, and sequential structure. For pre-training, the model constructs a discrete library of contraction prototypes through vector-quantized reconstruction and further learns contextual dependencies by recovering masked neuromuscular tokens from surrounding observations. Experiments under leave-one-subject-out and low-label adaptation settings show that the learned representation improves robustness to unseen users and reduces the amount of calibration data required for gesture recognition. These findings suggest that event-level token modeling offers a scalable route toward adaptable and data-efficient EMG-based motor-intent understanding.
Authors: Hamed Karimi, Vaishali Meyappan, Reza Samavi
Abstract: LLMs' overconfidence, particularly when hallucinating, poses a significant challenge for the deployment of the models in safety-critical settings and makes a reliable estimation of uncertainty necessary. Existing approaches for uncertainty quantification typically prioritize lexical or probabilistic measures; however, these techniques often ignore the semantic variance of different responses with similar meaning. In this paper, we propose Adaptive Conformal Semantic Entropy (ACSE), a method for estimating prompt-level uncertainty by adaptively measuring semantic dispersion in LLMs outputs. Our uncertainty scoring function is based on clustering semantic entropy of multiple diverse responses to the same prompt. The function adaptively adjusts the uncertainty score based on semantic features of each cluster. To ensure statistical reliability of our score, we use conformal calibration to apply a decision rule to accept/abstain the prompts, providing a finite-sample, distribution-free guarantee such that the error rate among the accepted responses remains bounded by a user-specified tolerance. Our extensive experimental evaluations using different LLMs and datasets, demonstrate that our approach consistently outperforms state-of-the-art uncertainty quantification baselines using discriminative performance, conformal guarantees, and probabilistic calibration indicators. As a highlight, for TriviaQA dataset, AUROC of our approach is 0.88 compared to 0.65 produced by the token entropy approach.
Authors: Seunghan Lee
Abstract: TabPFN has recently gained attention as a foundation model for tabular datasets, achieving strong performance by leveraging in-context learning on synthetic data. However, we find that TabPFN is vulnerable to label shift, often overfitting to the majority class in the training dataset. To address this limitation, we propose DistPFN, the first test-time posterior adjustment method designed for tabular foundation models. DistPFN rescales predicted class probabilities by downweighting the influence of the training prior (i.e., the class distribution of the context) and emphasizing the contribution of the model's predicted posterior, without architectural modification or additional training. We further introduce DistPFN-T, which incorporates temperature scaling to adaptively control the adjustment strength based on the discrepancy between prior and posterior. We evaluate our methods on over 250 OpenML datasets, demonstrating substantial improvements for various TabPFN-based models in classification tasks under label shift, while maintaining strong performance in standard settings without label shift. Code is available at this repository: https://github.com/seunghan96/DistPFN.
Authors: Fei Ding, Yongkang Zhang, Runhao Liu, Yuhao Liao, Zijian Zeng, Sibo wang, Huiming Yang
Abstract: The central challenge of reinforcement learning for reasoning lies not only in the sparsity of outcome-level supervision, but more fundamentally in how to transform feedback provided only at the end of a sequence into fine-grained learning signals that can guide intermediate reasoning steps. Existing approaches either rely on outcome-level rewards for sequence-level optimization, which makes precise credit assignment difficult, or depend on externally constructed process supervision, which is costly and difficult to scale sustainably. To address this, we propose a new perspective: reinforcement learning for reasoning can be understood as the problem of internalizing outcome supervision into process supervision. From this perspective, we introduce a supervision-internalization method for reinforcement learning for reasoning, enabling the model to automatically extract process-level learning signals through identifying, correcting, and reusing failed reasoning trajectories, thereby achieving finer-grained policy optimization under outcome-only supervision. We further abstract this idea into a new training paradigm, in which the model continually generates and refines its own internal process supervision during reinforcement learning, opening a new path for fine-grained credit assignment in reinforcement learning for reasoning that differs from externally provided process supervision.
Authors: Xiaohan Wang, Deyu Bo, Longlong Li, Kelin Xia
Abstract: It is well established that spectral graph neural networks (GNNs) can universally approximate node signals; however, their expressive power remains bounded by the 1-dimensional Weisfeiler-Lehman test, which is mirrored in their lack of universality for higher-order signals. To go beyond this bound, we propose the Full-Spectrum GNNs (FSpecGNNs), a second-order generalization of classical spectral GNNs. FSpecGNN advances spectral filtering from two perspectives: (1) it lifts signals from the node domain to the node-pair domain; and (2) it extends the univariate spectral filter over eigenvalues to a bivariate filter over eigenvalue pairs. We show that classical spectral GNNs arise as a diagonal special case of FSpecGNNs, and prove that FSpecGNNs can be at most as expressive as Local 2-GNN while universally approximating node-pair signals, the latter being particularly beneficial for heterophilic graph learning. Moreover, FSpecGNN admits scalable implementations that avoid explicit node-pair-level computations; combined with a low-rank approximation that reduces full-spectrum convolution to a combination of polynomial spectral filters, it enables learning on large graphs. Empirically, FSpecGNN validates the predicted expressivity and delivers strong performance on heterophilic benchmarks.
Authors: Nicholas Potteiger, Ankita Samaddar, Taylor T. Johnson, Xenofon Koutsoukos
Abstract: Decomposing complex tasks into a sequence of simpler subtasks can improve learning efficiency for an autonomous agent. Reinforcement learning (RL) can be used to optimize agent policies to complete subtasks, but requires well-defined subtask rewards and benefits from action masking. Recent work uses large language models (LLMs) to automate reward shaping and action masking, however none of them fully address reactivity to subtask failure and modularity to varying objects for compositional tasks. To overcome these challenges, we develop masking reward behavior tree (MRBT), a symbolic structure used as a reactive and modular reward and action mask function. We design an MRBT template and derive logical specifications to construct and verify MRBTs for a sequence of object-interaction subtasks. Further, we develop an automated pipeline that uses an LLM to generate MRBTs robust to varying task objects, an SMT-solver to verify correctness of specifications, and a neurosymbolic RL loop to train agents on compositional tasks. Experiments demonstrate successful generation and refinement of five MRBTs, consistently improving training efficiency and task success rates over baselines and MRBTs without action masking. We further highlight three advantages of MRBTs: transferability, modularity, and verifiability.
Authors: Marten van Dijk, Murat Bilgehan Ertan
Abstract: We derive a tight analysis of the trade-off function for Differentially Private Stochastic Gradient Descent (DP-SGD) with subsampling based on random shuffling within the $f$-DP framework. Our analysis covers the regime $\sigma \geq \sqrt{3/\ln M}$, where $\sigma$ is the noise multiplier and $M$ is the number of rounds within a single epoch. Unlike $f$-DP analyses for Poisson subsampling, which yield non-closed implicit formulas that can be machine computed but are non-transparent, random shuffling admits a tight analysis yielding transparent and interpretable closed-form bounds. Our concrete bounds, derived via the Berry-Esseen theorem, are tight up to constant factors within the proof framework. We demonstrate worked parameter settings for a single epoch ($E=1$) with a corresponding trade-off function $\geq 1-a-\delta$, that is, only $\delta$ below the ideal random guessing diagonal $1-a$: For $\delta = 1/100$ and $\sigma = 1$, roughly $M \approx 1.14\times 10^6$ rounds and $N \approx 1.14\times 10^7$ training samples suffice to achieve meaningful differential privacy. This is in contrast to recent negative results for the regime $\sigma \leq 1/\sqrt{2 \ln M}$. Our concrete bounds can be composed over multiple epochs leading to $\delta$ having a linear in $E$ dependency, which restricts $E=O(\sqrt{M})$. To go beyond Berry--Esseen, we introduce a new proof technique based on a generalization of the law of large numbers that yields an asymptotic random guessing diagonal-limit result: if $E=c_M^2M$ with $c_M\to 0$, then the $E$-fold composed trade-off function satisfies $f^{\otimes E}(a)\to 1-a$ uniformly in $a\in[0,1]$ with $\delta$ having only an $O(\sqrt{E})$ dependency. We compare this asymptotic regime with the corresponding Poisson subsampling asymptotic, and highlight the characterization of explicit convergence rates as an open question.
Authors: Qingjun Zhang
Abstract: We introduce E = T*H/(O+B), a dimensionless control parameter that predicts whether Mixture-of-Experts (MoE) models will develop a healthy expert ecology or collapse into dead experts. E combines four hyperparameters -- routing temperature T, routing entropy weight H, oracle weight O, and balance weight B -- into a single quantity. Through 12 controlled experiments (8 vision, 4 language) totaling over 11,000 training epochs, we establish that E >= 0.5 alone is sufficient to guarantee zero dead experts, removing the necessity for handcrafted load-balancing auxiliary losses. We validate this cross-modally on CIFAR-10, CIFAR-100, TinyImageNet-200, WikiText-2, and WikiText-103. Six additional findings emerge: (1) dead experts can resuscitate -- triggered by balance loss driving router re-exploration; (2) ortho toxicity is dataset-dependent, not universal; (3) task complexity shifts the critical E threshold; (4) model overfitting is decoupled from expert ecological health; (5) three-tier MoE spontaneously collapses into a two-tier functional structure; (6) ecological structure is temperature-invariant across a 50x range. We propose that E serves as a unified diagnostic for MoE training, analogous to the Reynolds number in fluid dynamics.
Authors: Murat Bilgehan Ertan, Xiaochen Zhu, Phuong Ha Nguyen, Marten van Dijk, Srinivas Devadas
Abstract: We introduce PACZero, a family of PAC-private zeroth-order mechanisms for fine-tuning large language models that delivers usable utility at $I(S^*; Y_{1:T})=0$. This privacy regime bounds the membership-inference attack (MIA) posterior success rate at the prior, an MIA-resistance level the DP framework matches only at $\varepsilon=0$ and infinite noise. All DP-ZO comparisons below are matched at the MIA posterior level. The key insight is that PAC Privacy charges mutual information only when the release depends on which candidate subset is the secret. Sign-quantizing subset-aggregated zeroth-order gradients creates frequent unanimity, steps at which every candidate subset agrees on the update direction; at these steps the released sign costs zero conditional mutual information. We propose two variants that span the privacy-utility trade-off: PACZero-MI (budgeted MI via exact calibration on the binary release) and PACZero-ZPL ($I=0$ via a uniform coin flip on disagreement steps). We evaluate on SST-2 and SQuAD with OPT-1.3B and OPT-6.7B in both LoRA and full-parameter tracks. On SST-2 OPT-1.3B full fine-tuning at $I=0$, PACZero-ZPL reaches ${88.99\pm0.91}$, within $2.1$pp of the non-private MeZO baseline ($91.1$ FT). No prior method produces usable utility in the high-privacy regime $\varepsilon<1$, and PACZero-ZPL obtains competitive SST-2 accuracy and nontrivial SQuAD F1 across OPT-1.3B and OPT-6.7B at $I=0$.
Authors: Praneeth Vepakomma, Amirhossein Reisizadeh, Samuel Horv\'ath, Munther A. Dahleh
Abstract: This work focuses on the question of learning from a large number of devices with each device holding only a single sample of data. Several real-world applications exist to this one sample per client setup up including learning from fitness trackers, data/app usage aggregators, body-worn sensing devices, and daily event monitors to name a few. When a client has only one sample, the standard federated learning paradigm breaks down as a local update based on that single point is far from being useful, especially in the earlier rounds for estimation of the model coefficients. This utility is further weakened by the privacy-inducing noise applied at every round. This work caters to this problem to enable such clients to collaboratively contribute to effectively learn a global model without leaking the privacy of their data. The proposed approach injects a single, carefully calibrated noisy perturbation to transform the sample at each client, followed by a post-processed representation which is shared with the server. These representations aggregated at the server are processed to obtain an unbiased gradient update that in expectation matches the non-private centralized gradient while preserving data privacy. This approach is different than traditional private federated learning, where the communication payloads involve model coefficients as opposed to privately transformed data samples. This method enables devices with extremely limited data to collaborate and learn accurate, privacy-preserving models without requiring large local datasets or sacrificing individual privacy.
Authors: Srinivas Kumar Ramdas, Jose Mathew, Ankit Singh Chauhan, Dinesh Rajkumar, Aravind Manoj, Mohit Goel
Abstract: Accurate truck-to-shipment matching using GPS data is foundational for full truckload supply chain visibility, enabling real-time tracking and accurate estimated time of arrival (ETA) predictions. However, missing or corrupted vehicle identifiers prevent traditional matching approaches, leaving shipments without visibility. This paper presents Intelligent Truck Matching (ITM) 2.0, a machine learning system that addresses this critical gap by formulating matching as a probabilistic ranking problem. Our approach leverages Uber H3 hexagonal spatial indexing to discretize GPS pings into route similarity features, combined with temporal information, then applies LightGBM gradient boosting with threshold-based post-processing. Through rigorous evaluation including offline model selection (SVM, XGBoost, LightGBM), comprehensive ablation studies, and production shadow testing, we demonstrate substantial gains over rule-based baselines. ITM 2.0 achieves 26 percentage point precision improvement in North America and 14 points in Europe, while doubling coverage. Deployed in production at Project44 handling full truckload shipments, the system demonstrates robustness to geocoding errors up to 1 km, multiple candidate trucks, and sparse pings.
Authors: Karim Othman, Jonas Petersen, Matei Ignuta-Ciuncanu, Camilla Mazzoleni, Federico Martelli, Alessandro Lombardi, Riccardo Maggioni, Philipp Petersen
Abstract: We introduce the first universal pretraining corpus for industrial time-series data: FactoryNet. 51M datapoints across 23k end-to-end task executions (13.3k real, 9.8k synthetic) on six embodiments, unified by a shared schema that enables robust zero-shot cross-embodiment transfer and highly parameter-efficient anomaly detection. We introduce a novel schema: Setpoint, Effort, Feedback, Context (S-E-F-C) underlying the whole pipeline that maps any actuated system into a common representational frame. The corpus spans 27 annotated anomaly types alongside healthy baselines and counterfactual pairs across robotic manipulation and machining domains. Cross-embodiment transfer experiments yield positive results: under bias-aware metrics our model demonstrates fair cross-embodiment transfer capabilities on the evaluated source-target pair, while 24 schema-aligned signals achieves competitive anomaly detection performance compared to high-dimensional baselines. We release FactoryNet as a growing, multi-embodiment dataset to drive progress toward industrial foundation models.
Authors: Ruiying Peng, Mengyu Yang, Jing Lei, Xiaohui Li, Xueyu Wu, Xinlei Chen
Abstract: Supervised Fine-Tuning (SFT) is widely used for task-specific adaptation, yet recent work shows it systematically undermines reasoning generalization. We argue the root cause is not memorization itself, but its target: vanilla SFT drives models to exploit and memorize spurious surface correlations in problem-solution pairs, leaving them brittle to superficial input variations. To address this, we propose Theorem-SFT, which reorients supervision toward explicit theorem application by teaching models how rules are invoked rather than what answers look like. Theorem-SFT yields consistent gains across benchmarks and model families: +8.8% on MATH (LLaMA3.2-3B-Instruct) and +20.27% on GeoQA (Qwen2.5-VL-7B-Instruct) without modality-specific re-training. Fine-tuning MLP layers alone matches full-layers performance, implicating feed-forward components as the primary locus of reasoning rules. Our findings reframe the debate: Generalization failures stem not from memorization as a mechanism, but from memorizing the wrong inductive targets.
Authors: Pedro M. P. Curvo, Maksim Zhdanov, Floor Eijkelboom, Jan-Willem van de Meent
Abstract: Existing approaches to controllable generation typically rely on fine-tuning, auxiliary networks, or test-time search. We show that flow matching admits a different control interface: adaptation through examples. For deterministic interpolants, the velocity field is solely governed by a conditional endpoint mean; shifting this mean shifts the flow itself. This yields a simple principle for controllable generation: steer a pretrained model by changing the reference set it follows. We instantiate this idea in two forms. Reference-Mean Guidance is training-free: it computes a closed-form endpoint-mean correction from a reference bank and applies it to a frozen FLUX.2-klein (4B) model, enabling control of color, identity, style, and structure while keeping the prompt, seed, and weights fixed. Semi-Parametric Guidance amortizes the same idea through an explicit mean anchor and learned residual refiner, matching unconditional DiT-B/4 quality on AFHQv2 while allowing the reference set to be swapped at inference time. These results point to a broader direction: generative models that adapt through data, not parameter updates.
Authors: George Panagopoulos
Abstract: Estimating heterogeneous treatment effects with machine learning has attracted substantial attention in both academic research and industrial practice. However, the two communities often evaluate models under markedly different conditions. Methodological work typically relies on semi-simulated benchmarks and metrics that require counterfactual outcomes, whereas real-world applications rely on observable metrics based on ranking or test outcomes. Despite the well-known gap between methodological progress and practical deployment, the relationship between these evaluation regimes has not been examined systematically. We conduct a large-scale empirical study of treatment effect evaluation across standard semi-simulated benchmark families and real-world datasets. Our benchmark covers meta-learners paired with multiple base learners, as well as specialized causal machine learning models. We evaluate these methods using observable metrics common in application-oriented literature, alongside counterfactual metrics commonly used in methods papers. Our results reveal two complementary gaps. First, counterfactual metrics do not reliably recover the estimators preferred by observable metrics, even on the same semi-simulated benchmarks. Second, rankings obtained on semi-simulated benchmarks do not transfer to real datasets. We further find that simple meta-learners with strong base models are consistently competitive, in contrast to specialized causal models. Overall, our findings suggest that progress in treatment effect estimation research should not be assessed solely through counterfactual metrics and semi-simulated benchmarks, but it would benefit from incorporating observable metrics and real-data validation.
Authors: Haoyu Huang, Boyu Liu, Linlin Yang, Yanjing Li, Yuguang Yang, Xuhui Liu, Canyu Chen, Zhongqian Fu, Baochang Zhang
Abstract: The training of Binary Neural Networks (BNNs) is fundamentally based on gradient approximation for non-differentiable binarization operations (e.g., sign function). However, prevailing methods including the Straight-Through Estimator (STE) and its improved variants, rely on hand-crafted designs that suffer from gradient mismatch problem and information loss induced by fixed-range gradient clipping. To address this, we propose SURrogate GradiEnt Adaptation (SURGE), a novel learnable gradient compensation framework with theoretical grounding. SURGE mitigates gradient mismatch through auxiliary backpropagation. Specifically, we design a Dual-Path Gradient Compensator (DPGC) that constructs a parallel full-precision auxiliary branch for each binarized layer, decoupling gradient flow via output decomposition during backpropagation. DPGC enables bias-reduced gradient estimation by leveraging the full-precision branch to estimate components beyond STE's first-order approximation. To further enhance training stability, we introduce an Adaptive Gradient Scaler (AGS) based on an optimal scale factor to dynamically balance inter-branch gradient contributions via norm-based scaling. Experiments on image classification, object detection, and language understanding tasks demonstrate that SURGE performs best over state-of-the-art methods.
Authors: Jonas Petersen, Gian-Alessandro Lombardi, Riccardo Maggioni, Camilla Mazzoleni, Federico Martelli, Philipp Petersen
Abstract: Critical events in multivariate time series, from turbine failures to cardiac arrhythmias, demand accurate prediction, yet labeled data is scarce because such events are rare and costly to annotate. We introduce HEPA (Horizon-conditioned Event Predictive Architecture), built on two key principles. First, a causal Transformer encoder is pretrained via a Joint-Embedding Predictive Architecture (JEPA): a horizon-conditioned predictor learns to forecast future representations rather than future values, forcing the encoder to capture predictable temporal dynamics from unlabeled data alone. Second, we freeze the encoder and finetune only the predictor toward the target event, producing a monotonic survival cumulative distribution function (CDF) over horizons. With fixed architecture and optimiser hyperparameters across all benchmarks, HEPA handles water contamination, cyberattack detection, volatility regimes, and eight further event types across 11 domains, exceeding leading time-series architectures including PatchTST, iTransformer, MAE, and Chronos-2 on at least 10 of 14 benchmarks, with an order of magnitude fewer tuned parameters and, on lifecycle datasets, an order of magnitude less labeled data.
Authors: Siyuan Liu, Tinghong Chen, Xinghan Li, Yifei Wang, Jingzhao Zhang
Abstract: Data selection during supervised fine-tuning (SFT) can critically change the behavior of large language models (LLMs). Although existing work has studied the effect of selecting data based on heuristics such as perplexity, difficulty, or length, the reported findings are often inconsistent or context-dependent. In this work, we systematically study the role of data difficulty in fine-tuning from both empirical and theoretical perspectives, and find that there is no universally optimal difficulty level; rather, its effectiveness depends on the dataset size. We show that for a fixed data budget, there exists an optimal data difficulty for SFT, and that this optimal difficulty shifts toward harder data as the data budget increases. To explain this phenomenon, we conduct controlled synthetic experiments that reveal a simple underlying mechanism: the interplay between the (in-distribution) generalization gap and the extrapolation gap. We further support this mechanism through a theoretical analysis using PAC-Bayesian generalization bounds. Overall, our results clarify how data size and difficulty jointly affect the trade-off between generalization and extrapolation in SFT, providing guidance for difficulty-based data selection under certain model and data conditions.
Authors: Yifan Duan, Siyuan Zheng, Lihuan Li, Chao Xue, Flora Salim
Abstract: Open datasets and benchmarks for entity-level carbon-emission prediction remain fragmented across access, scale, granularity, and evaluation. We introduce GHGbench, an open dataset and benchmark for company- and building-level greenhouse-gas prediction. The company track contains 32,000+ company-year records from 12,000+ firms with Scope 1+2 and Scope 3 disclosures and financial/sectoral signals; the building track harmonises 491,591 building-year records from 13 open sources into a single schema across 26 metropolitan areas (10 U.S., 15 Australian, 1 Singaporean), with climate covariates and multimodal remote-sensing embeddings. GHGbench defines canonical splits with in-distribution and cross-region/city transfer as primary tasks and temporal hold-out plus short-horizon forecasting as supplementary appendix evidence; headline baselines span gradient-boosted trees, a tabular foundation model, MLP, FT-Transformer, and multimodal fusion, with an LLM panel as auxiliary, all evaluated under multi-seed paired-bootstrap tests. Three benchmark-level findings emerge: (i) building emissions are structurally harder than company emissions; (ii) the in-distribution to out-of-distribution gap dwarfs any within-model gap across both the company track and the building track, and a tabular foundation model is, to our knowledge, the first baseline to open a paired-bootstrap-significant gap over tuned trees on a multi-city building-emissions task; (iii) multimodal remote-sensing embeddings help precisely where tabular generalisation breaks. GHGbench also exposes catastrophic city transfer and the sector-factor lookup ceiling as systematic failure modes. Code and reconstruction recipes are available at GHGbench.
Authors: Sibo Jia, Zihang Zhao, Kunrong Li
Abstract: Industrial visual inspection systems increasingly rely on deep classifiers whose heatmap explanations may appear visually plausible while failing to identify the image regions that actually drive model decisions. This paper operationalizes an architecture-aware explanation audit protocol grounded in the native-readout hypothesis: the perturbation-based faithfulness of an explanation method is bounded by its structural distance from the model's native decision mechanism. On WM-811K wafer maps (9 classes, 172k images) under a three-seed zero-fill perturbation protocol, ViT-Tiny + Attention Rollout attains Deletion AUC 0.211 against 0.432-0.525 for Swin-Tiny / ResNet18+CBAM / DenseNet121 + Grad-CAM (abs(Cohen's d) > 1.1), despite lower classification accuracy. Swin-Tiny disentangles architecture family from readout structure: despite being a Transformer, its spatial feature-map hierarchy makes it Grad-CAM compatible, showing that the operative factor is readout structure rather than architecture family. A model-agnostic control (RISE) compresses all families to Deletion AUC about 0.1, indicating the gap arises from the explainer pathway; notably, RISE outperforms all native methods, so native readout is a compatibility principle rather than an optimality guarantee. A blur-fill sensitivity analysis shows that the family ordering reverses under a different perturbation baseline, reinforcing that faithfulness rankings are joint properties of (model, explainer, perturbation operator) triples. An exploratory boundary-condition study on MVTec AD (pretrained models) indicates that audit results are dataset/task dependent and identifies conditions requiring qualification. The protocol yields actionable guidance: explanation pathways should be co-designed with model architectures based on readout structure, and deployed heatmaps should be accompanied by quantitative faithfulness metrics.
Authors: Chen Liang, Xiatao Sun, Qian Wang, Daniel Rakita
Abstract: Zeroth-Order (ZO) optimization is pivotal for scenarios where backpropagation is unavailable, such as memory-constrained on-device learning and black-box optimization. However, existing methods face a stark trade-off: they are either sample-inefficient (e.g., standard finite differences) or suffer from high variance due to randomized estimation (e.g., random subspace methods). In this work, we propose Coherent Coordinate Descent (CoCD), a deterministic, sample-efficient, and budget-aware ZO optimizer. Theoretically, we formalize the notion of gradient coherence and demonstrate that CoCD is equivalent to Block Cyclic Coordinate Descent (BCCD) with ``warm starts,'' effectively converting historical (stale) gradients from a liability into a computational asset. This mechanism enables $O(1)$ query complexity per step while maintaining global descent directions. Furthermore, we derive error bounds revealing a counter-intuitive insight: larger finite-difference step sizes can induce an implicit smoothing effect on the optimization landscape by reducing the effective smoothness constant, thereby improving convergence stability. Experiments on MLP, CNN, and ResNet architectures (up to 270k parameters) demonstrate that CoCD significantly outperforms BCCD in terms of sample efficiency and convergence loss/accuracy, and exhibits superior stability over randomized ZO methods. Our results suggest that deterministic, structure-aware updates offer a superior alternative to randomization for lightweight ZO optimization.
Authors: Nian Liu, Nikita Kazeev, Stephen Gregory Dale, Artem Maevskiy, Yuwei Zeng, Ryoji Kubo, Pengru Huang, Thomas Laurent, Yann LeCun, Kostya S. Novoselov, Xavier Bresson
Abstract: De novo crystal generation seeks to discover materials that are not merely realistic, but also stable and novel. However, most existing generative models are trained to maximize the likelihood of observed crystals, which encourages samples to stay close to known materials yet not necessarily align with the criteria that matter in discovery. Our empirical analysis shows that current crystal generative models exhibit a clear conflict between stability and novelty: samples near the observed distribution tend to retain stability but offer limited novelty, whereas samples farther from it often lose stability rapidly. This suggests that the useful region for discovering crystals that are both stable and novel is extremely narrow. To move beyond this limitation, we introduce Crys-JEPA, a joint embedding predictive architecture for crystals that learns an energy-aware latent space preserving formation-energy differences. In this space, stability assessment can be reformulated as an embedding-based comparison against accessible training crystals, reducing the reliance on expensive energy evaluation and task-specific external references. Building on Crys-JEPA, we further develop a screening-and-refinement pipeline that identifies promising generated crystals and reintroduces them to refine the generative model. On MP-20 and Alex-MP-20 datasets, we achieve improvements over baselines up to 53.8% and 72.7% on V.S.U.N. metric, respectively.
Authors: Nian Liu, Yuwei Zeng, Ryoji Kubo, Nikita Kazeev, Stephen Gregory Dale, Artem Maevskiy, Pengru Huang, Thomas Laurent, Kostya S. Novoselov, Xavier Bresson
Abstract: De novo crystal generation, a central task in materials discovery, aims to generate crystals that are simultaneously valid, stable, unique, and novel. Existing methods mainly rely on black-box stochastic sampling, providing limited control over how generated structures move beyond the observed distribution. In this paper, we introduce a concept-based compositional framework for crystal generation. We train a vector-quantized variational autoencoder to automatically discover a shared set of reusable crystal concepts, which serve as building blocks for guided generation. These learned concepts naturally exhibit interpretability from both local atomic environments and global symmetry patterns, and generalize to crystals from different distributions. By recombining such concepts, our framework enables controllable exploration of novel crystals beyond the training distribution, rather than relying solely on unconstrained random sampling. To further improve composition efficiency, we introduce a composition generator and iteratively refine it using high-quality samples generated by the model itself. The resulting concept compositions are then used to condition downstream crystal generation. Numerical experiments on MP-20 and Alex-MP-20 show that compositing concepts separately increase base model up to 53.2% and 51.7% on V.S.U.N metric, with particular gains in novelty.
Authors: Tawsik Jawad, Gowtham Atluri, Vikram Ravindra
Abstract: Electroencephalograph (EEG) timeseries signals are characterized by significant noise and coarse spatial resolution, which complicates the classification of neurodegenerative diseases. Even SOTA deep learning architectures struggle to distinguish between healthy controls and diseased subjects, or between different disease types, due to high intergroup similarity. In this paper, we show that a spectrally selective approach to feature construction enhances class separability. By isolating signal strengths within the primary brainwave bands, we transform high dimensional raw data into high value spectral features. Our results demonstrate that in small datasets a) features derived from frequency and time frequency domain allow traditional machine learning models to match or exceed the performance of SOTA deep learning models, b) Attention mechanism is unable to distill the stable feature signatures that characterize healthy neural activity in both resting and task EEGs, and c) the limitations of attention based models in finding relevant spectral features appear to be robust in that providing frequency selective time domain input do not appreciably improve their performance. We validate our methodology across three open source resting EEG datasets and one task EEG dataset, providing robust empirical evidence for our claims.
Authors: Sihan Zeng, Sujay Bhatt, Sumitra Ganesh
Abstract: Neural networks are typically trained with a single learning rate across all layers. While recent empirical evidence suggests that assigning layer-specific learning rates can accelerate training, a principled understanding of the conditions and mechanisms under which non-uniform learning rates are beneficial remains limited. In this work, we investigate non-uniform learning rates through the lens of Stackelberg optimization. Specifically, we demonstrate that training neural networks with a smaller learning rate for the body layers and a larger learning rate for the final layer can be interpreted as a two-time-scale alternating gradient descent algorithm applied to a Stackelberg reformulation of the original objective. We establish finite-time convergence guarantees for the algorithm under broad conditions that accommodate constraint sets and non-smooth activation functions. Beyond convergence, we identify two mechanisms by which non-uniform learning rates can outperform uniform learning rates: (i) we show that certain problem instances induce a Stackelberg objective with stronger optimization structure than the original objective, yielding faster convergence to globally optimal solutions, (ii) our numerical analysis reveals that the Stackelberg objective can exhibit substantially sharper local curvature, especially in early training, which leads to more informative gradients and learning acceleration. Experiments in supervised learning and reinforcement learning support our findings.
Authors: Fei Ding, Yongkang Zhang, Youwei Wang, Zijian Zeng
Abstract: Reinforcement learning for multi-step reasoning with large language models (LLMs) typically relies on sparse terminal rewards, which creates a poorly conditioned credit-assignment problem: the final feedback is propagated uniformly across all intermediate decisions. This leads to high gradient variance, unstable training, and many ineffective updates, ultimately limiting sustained model improvement. We propose a counterfactual-comparison framework for credit assignment. For each input, the framework samples multiple reasoning trajectories and treats their differences as implicit approximations to alternative decisions. This yields an implicit process-level advantage estimator that converts sparse terminal rewards into step-sensitive learning signals. Building on this framework, we introduce Implicit Behavior Policy Optimization (IBPO), which substantially improves training stability and the performance ceiling on mathematical and code-reasoning benchmarks. Our results point to a promising direction for unlocking the reasoning potential of LLMs.
Authors: Entang Wang, Yiwei Wang, Aleksandra Bakalova, Michael Hahn
Abstract: In-context learning (ICL) excels at new tasks from minimal examples, yet we still lack a mechanistic explanation of how few-shot prompts shape a model's function vector (FV)--a causal activation direction that drives task behavior on the ICL query. Across tasks and models, an $n$-shot FV is well-approximated by a linear combination of example-level sub-FVs, suggesting additive and composable contributions from individual demonstrations. Beyond additivity, we show that models contextualize individual examples' representations based on prior examples to adaptively reweight which demonstrations dominate the FV: attention shifts toward examples that are more informative and less ambiguous under the context. Finally, a causal decomposition separates Query-Key routing from Value updates, finding that contextualization's most consistent contributions to FV quality arise from Query-Key alignment--particularly in ambiguous settings--while Value-mediated effects are more heterogeneous. Together, these results unify additive superposition with context-dependent attention reweighting into a mechanistic, testable account of how few-shot prompts implement tasks.
Authors: Viktoria Schram, Markus Hiller, Daniel Beck, Trevor Cohn
Abstract: Predicting model performance at larger scales enables the design of training strategies and architectures tailored to specific performance targets. Empirical scaling law research identifies functional forms to aid this prediction task. These describe the relationship between loss and compute using a loss-compute frontier defined by learning curves. Due to the empirical nature of this approach, the computational burden is substantial, making strategic resource allocation essential - yet it remains surprisingly underexplored. In this work, we address this shortcoming by exploring the suitability of Successive Halving (SH) and SH combined with parametric and non-parametric surrogate models. In addition to enabling a more systematic allocation of a given compute budget, our findings show that SH paired with surrogate models yields a set of learning curves that includes one with a lower loss-compute value than what naive uniform allocation or an SH-only approach can obtain. Our experiments demonstrate mean relative improvements of up to 2.84% and 5.47% on real-world and synthetic learning curve datasets. This strategic resource allocation enables us to obtain accurate scaling laws at significantly reduced computational costs, saving up to 98.7% over the traditional exhaustive approach.
Authors: YongKyung Oh
Abstract: State-of-the-Art (SOTA) claims pervade Artificial Intelligence (AI) and Machine Learning (ML) research. These claims rest on benchmark evaluations, where models are ranked by aggregate scores across tasks. Public benchmarks or leaderboards are the most visible instance, but the same structure appears in paper tables throughout the literature. However, such minimal evidence often cannot support these strong claims. We identify a widespread claim-evidence gap in AI benchmarking. Claiming SOTA carries implicit assumptions beyond mean score superiority, suggesting that a model meaningfully outperforms alternatives across most tasks. However, a marginal improvement in the mean score merely indicates a top average rank rather than true superiority. Analyzing ten cross-domain benchmarks from public leaderboards, we found that in more than half of top-model comparisons, at least one commonly assumed property of superiority does not hold. These properties include meaningful effect size, consistency across tasks, or robustness to dataset removal. Instead, aggregate gains are frequently driven by outlier datasets. This fragility persists even in benchmarks with many tasks. We argue that claim language should reflect the strength of the underlying evidence. This requires no additional experiments, only honest reporting of what results actually show, enabling more precise and interpretable comparisons across models.
Authors: Jonathan Plenk, Sergio Calvo-Ordonez, Alvaro Cartea, Yarin Gal, Mark van der Wilk, Kamil Ciosek
Abstract: In wide neural networks, the Neural Tangent Kernel (NTK) remains approximately constant during training, providing a powerful theoretical tool for studying training dynamics, generalization, and connections to kernel methods. However, this theory is largely restricted to regression losses. It was previously thought that training on a classification loss, or more generally losses involving nonlinear output transformations, breaks this property, leading to divergent logits and a breakdown of the linearization. In this paper, we extend NTK theory to classification by identifying conditions under which wide neural networks remain in the lazy training regime. We show that parameter-space regularization ensures a constant NTK during training for cross-entropy loss, while in the absence of regularization the regime is recovered when targets are non-degenerate, i.e. when all classes have strictly positive probability. Under these conditions, training is well-approximated by the linearized model, yielding an explicit characterization of the solution in terms of the NTK. We further analyze the distribution of trained predictors induced by random initialization and relate this notion of model uncertainty to Bayesian methods.
Authors: Fan Zhang, Shijun Chen, Hua Wang
Abstract: Mainstream methods for multivariate time-series forecasting largely follow the Direct-Mapping paradigm. They learn a unified mapping from history to the future in the observation space to fit value-level dependencies. However, real-world systems often undergo distribution shifts and regime changes. In such cases, a unified mapping can exhibit response lag around turning points, causing error accumulation within the switching window and reducing forecasting reliability. To address this issue, we propose L-Drive, a change-aware forecasting framework. L-Drive introduces a Latent-Context, to explicitly characterize high-level dynamics evolving over time, and uses gating to modulate increment representations. This provides more timely change cues and improves adaptation to changing segments. In addition, it incorporates patch-shared relative positional basis functions to strengthen intra-segment structural modeling and reduce overfitting caused by absolute-position memorization. Extensive experiments validate the effectiveness of L-Drive and show a better overall trade-off between forecasting accuracy and computational efficiency.
Authors: Zegu Zhang, Jianhua Peng, Jian Zhang
Abstract: We study exact constant collapse in variational autoencoders: the deterministic encoder mean becomes independent of the input. The prior remains the standard Gaussian. Before VAE training, we select a fixed teacher posterior from a GMM-based view of the data and attach a fixed latent-only simplex witness to the encoder mean. This construction yields two linked objects. The first is a certificate: if the witness prediction improves on the best constant predictor of the teacher, the encoder mean cannot be input-independent constant. The second is a local escape direction: on the collapsed manifold, the teacher residual gives a sample-dependent descent direction for the alignment loss. For any full-support teacher posterior, the same geometry also gives a closed-form latent code with zero teacher-witness alignment error. Its scaled versions trace a margin-energy path from the constant predictor to the exact teacher code, which quantifies non-collapse inside the protected witness subspace. We instantiate the method on MNIST, CIFAR-10, and CIFAR-100. With searched unsupervised PCA-GMM teachers, vanilla VAEs fail the teacher-witness certificate in all five seeds on CIFAR-10 and CIFAR-100, while RST variants pass in all five seeds. Under collapse-stress settings with \(\beta_{\mathrm{KL}}\in\{2,4,8\}\), vanilla VAE again fails in all seeds, whereas RST-alpha-prefit remains certificate-positive. Escape trajectories on both natural-image datasets increase the witness margin from a low-margin initialization and exhibit nonzero teacher-induced gradient norms. The analysis is confined to exact constant collapse of the encoder mean; generation quality, decoder use, and other collapse modes remain separate questions.
Authors: Luis Balderas, Jos\'e Alberto Rodr\'iguez, Miguel Lastra, Antonio Arauzo-Azofra, Jos\'e M. Ben\'itez
Abstract: Time Series Foundation Models (TSFMs) have demonstrated notable success in general-purpose forecasting tasks; however, their adaptation to specialized classification problems remains constrained by the computational bottleneck of standard attention and the systematic omission of classical statistical knowledge. This technical report introduces KairosHope, a next-generation TSFM designed to reconcile massive generalization with analytical precision in classification tasks. The core of the proposal is the HOPE block, an architecture that replaces quadratic attention with a dual-memory system: Titans modules for dynamic short-term retention and a Continuum Memory System (CMS) for the abstraction of long-term historical context. To enrich the inductive bias, a Hybrid Decision Head is introduced, which fuses deep latent representations with deterministic statistical features extracted via tsfeatures package. KairosHope undergoes self-supervised pre-training on the massive Monash archive, combining Masked Time Series Modeling (MTSM) and contrastive learning (InfoNCE). Its subsequent adaptation to the UCR benchmark datasets is conducted through a rigorous Linear Probing and Full Fine-Tuning (LP-FT) protocol to prevent catastrophic forgetting. Empirical results demonstrate superior performance in domains characterized by strict temporal causality such as HAR or Sensor data. Consequently, KairosHope establishes a robust and efficient framework for the adaptation of foundation models to time series analysis.
Authors: Rao Fu, Zixuan Yang, Jiankun Zhang, Jing Ma, Hechang Chen, Yu Li, Yi Chang
Abstract: Scaling model performance typically requires increasing model size. Looped Transformer offers a compelling alternative by iteratively reusing the same Transformer blocks, trading additional computation for improved performance without increasing parameter count or context length. Because the number of loop iterations can be adjusted at inference, it also provides a natural mechanism for balancing performance and test-time compute. However, Looped Transformer still suffers from training instability when the number of loop iterations increases. Our analysis reveals that this instability stems from two sources: gradient oscillation and residual explosion. To address these two problems, we propose the Fully Looped Transformer, which introduces two parameter-free modifications: (1) Fully Looped Architecture, which distributes inter-loop signals across all layers to mitigate residual explosion; (2) Attention Injection, which reuses the existing attention block to suppress gradient oscillation. These modifications stabilize training dynamics, enabling the Fully Looped Transformer to be trained stably up to 12 loop iterations, whereas other baseline looped models collapse in this regime. In milder settings where Looped Transformer does not collapse, Fully Looped Transformer still improves average downstream-task performance by up to 13.2\%. Overall, our experiments demonstrate that Fully Looped Transformer improves training stability, enhances downstream performance, and provides preliminary adaptability under different test-time compute budgets by varying loop iterations at inference.
Authors: Adil Amin
Abstract: Scaling laws predict loss from compute but not how capabilities interact. We measure the coupling between reasoning and truthfulness across 63 base models from 16 families and find a regime change invisible to loss curves: below a family-dependent critical scale $N_c$, capabilities anticorrelate; above it, they cooperate. $N_c \approx 3.5$B parameters [2.9B, 13.4B] (bootstrap 95\% CI), but model size is not the only variable that determines phase. Architecture, data curation, and training recipe each shift $N_c$ independently: curated training eliminated the coupling dip between Qwen generations (0.025 $\to$ 0.830 at matched scale), Gemma-4 at 4B achieves coupling 0.871, characteristic of 13B+ standard-trained models, through distillation and architectural innovation, and Phi at 1B matches web-trained coupling at 10B through data curation alone. Width normalization eliminates the anticorrelation across all tested families, supporting an output-projection bottleneck. Internally, 38 of 40 models show zero competing attention heads. A sparse-regression ODE cross-predicts held-out Llama-2 at 5.6\% error. The diagnostic requires no model internals -- only public benchmark scores across a model family. The cooperative regime extends to the frontier ($r = +0.72$, 34 models, 10 labs). A proof-of-concept intervention confirms the bottleneck is exploitable: adding a single truth-direction vector at the identified layer corrects 60\% of misaligned outputs in the tax phase with zero retraining -- a surgical, per-inference correction that requires no weight modification. Code, data, an open-source steering CLI for any open-weight model, and an interactive dashboard for phase diagnosis are released: https://zehenlabs.com/cape/.
Authors: Adil Amin
Abstract: Leaderboards rank frontier models on independent axes but do not reveal whether capabilities reinforce or trade off across releases -- and at the frontier, this interaction is the more informative signal. We decompose paired SWE-bench and GPQA Diamond scores into a population coupling trend and per-release residual ($h$-field) that diagnoses capability emphasis from two public benchmark scores. Across 34 models from 10 labs (2024--2026), capabilities cooperate ($r = +0.72$, $p < 10^{-6}$), but cooperation varies systematically: per-lab coupling slopes span $5\times$ (Google $1.15$ vs. DeepSeek $0.23$), and labs pivot -- DeepSeek reversed from reasoning-rich to coding-first ($\Delta h = 15.9$~pp); Anthropic oscillates between coding excursions and recovery. The population regression serves as an isocline phase boundary: the same $\sqrt{(a/b)\cdot B_1}$ classifier that identifies the base-scale coupling transition [Amin, 2026] classifies frontier models and already detects mixed-phase behavior at the next transition (two models below the GPQA--IFEval isocline). The $h$-field is not just diagnostic -- it tells you what to change. Pretraining establishes coupling at $0.871$ while RLHF adds $0.081$ [Amin, 2026]: pretraining-level shifts are permanent (DeepSeek's four-release reversal persists), post-training shifts are reversible (Anthropic's three coding excursions each recover within one release), and inference compute alone shifts $h$ by $+7.8$~pp without retraining. Knowing which component dominates determines whether to retrain or wait. We provide a three-step diagnostic (locate, classify, predict), a per-lab measurement-priority table, and seven falsifiable predictions with timestamped criteria. Five post-cutoff releases fall within the 95\% prediction interval. Code, data, and an interactive dashboard: https://zehenlabs.com/cape/.
Authors: Nikita Klimenko, Hesam Salehipour, Parham Eftekhar, Amir Khasahmadi, Ramon Elias Weber
Abstract: In this work, we propose HypergraphFormer, a novel and efficient approach to floor plan generation based on learning hypergraph representations with a large language model (LLM). The model is trained via supervised fine-tuning to generate a hypergraph-based textual representation that encodes spatial relationships and connectivity information within floor plans. We train and evaluate our approach on the RPLAN dataset, and further demonstrate its generalizability on a separate out-of-distribution dataset, which we release in this paper. Our method outperforms state-of-the-art techniques based on rasterized or vectorized representations across a diverse set of metrics. We also show improved data efficiency, particularly under distribution shift. The hypergraph formulation enables the generation of floor plans for arbitrary, irregular, user-specified boundaries by decoupling apartment footprints from their functional and geometric subdivisions. Furthermore, we show that the proposed methodology offers a high degree of editability, making it particularly well suited to design-oriented workflows supported by LLMs.
Authors: R\'emi Bourgerie, \v{S}ar\=unas Girdzijauskas, Viktoria Fodor
Abstract: Deep Graph Neural Networks (GNNs) are essential for capturing complex dependencies in graph-structured data. However, scaling GNNs to depth remains challenging, as stacking layers leads to representation collapse and diminishing sensitivity due to repeated aggregation. While Neural Sheaf Diffusion (NSD) provides strong theoretical guarantees against such collapse, these guarantees do not translate to practice: as depth increases, the disagreement signal of the sheaf Laplacian vanishes, limiting the contribution of deeper layers. We identify mechanisms that hinder NSD effectiveness at depth and propose \emph{Deep Neural Sheaf Diffusion} (DNSD), which replaces the sheaf Laplacian with a sheaf adjacency operator to maintain informative signals across layers. This is complemented by normalization, odd nonlinearities, and gating. To provide a principled explanation of the expected performance improvement, we contrast sheaf diffusion to graph attention mechanisms, highlighting that DNSD replaces scalar attention scores with matrix-valued edge functions and normalizes node representations rather than attention scores. We demonstrate empirically that DNSD effectively utilizes deep aggregation in graph tasks, outperforming GNN and NSD baselines with up to 30pp accuracy on synthetic long-range datasets, and consistently outperforming them on real-world benchmarks. These results position sheaf-based architectures as a promising building block for graph foundation models by supporting effective deep architectures.
Authors: Lihong Lin, Haidong Kang
Abstract: Continual Model Merging (CMM) enables rapid customization of foundation models by sequentially incorporating task-adapted models without repeated retraining. However, existing merging rules usually update the deployed model through fixed algebraic or projection-based operations, providing limited control over how much previously accumulated knowledge should be retained relative to the incoming task model. This limitation leads to unstable retention and performance degradation in long task streams, and becomes more pronounced when tasks have heterogeneous utilities. We propose ODE-driven Merging (ODE-M), a controllable framework that formulates each continual merge as a trajectory in parameter space rather than a one-step endpoint update. Motivated by mode connectivity, ODE-M constructs a barrier-aware trajectory using a rectified time-dependent velocity field, where lightweight first-order feedback from a small calibration set suppresses loss-increasing motion while preserving progress toward the incoming model. The next merged model is then obtained by selecting an operating point along this trajectory through a utility-aware time schedule, providing an explicit mechanism for balancing retained historical knowledge and incoming task expertise. Extensive experiments on standard CMM benchmarks show that ODE-M consistently improves over strong continual merging baselines across CLIP ViT backbones, stream lengths, and heterogeneous task-utility settings.
Authors: Tianle Li, Xuyang Shen, Yan Ma, Rongxin Guo, Shaoxiang Chen, Jiacheng Chen, Haochen Wang, Hongyang Tang, Yucong Zhou, Yu Cheng
Abstract: Long-form image captioning exposes a reward granularity problem in RL: captions are judged as whole sequences, while the important errors occur at the level of individual visual claims. A good dense caption should be both faithful and informative, avoiding hallucination without omitting salient details. Yet pairwise preferences, reference-based metrics, and holistic scalar rewards compress these local errors into a single sequence-level signal, obscuring the tradeoff between factuality and coverage. We introduce ClaimDiff-RL, a framework that uses reference-conditioned atomic claim differences as the reward unit for caption RL. Given an image, an actor caption, and a reference caption, a multimodal judge enumerates visually grounded differences, verifies each difference against the image, assigns open-vocabulary error types and severity levels, and produces per-difference statistics for reward composition. This makes hallucinated claims and omitted salient facts separately measurable and tunable. Experiments show that holistic scalar rewards can reduce hallucination by increasing missing facts, while ClaimDiff-RL exposes this faithfulness and coverage tradeoff and enables more balanced operating points. On a 160-image human-labeled diagnostic benchmark, public captioning benchmarks, and VQA benchmarks, ClaimDiff-RL improves the hallucination--missing-fact balance, preserves general capability, and even surpasses Gemini-3-Pro-Preview on several fine-grained Capability dimensions such as object counting, spatial relations, and scene recognition. These results suggest that typed, verifiable claim differences are an effective reward unit for fine-grained and diagnosable caption RL.
Authors: Qinwu Xu, Xiaofu Ma, Yifan Jiang
Abstract: We study whether multimodal large language models (MLLMs) can leverage crystallographic plane indices (Miller indices) as a structured latent representation for reasoning about fracture geometry. We formulate Miller indices $z = (h,k,l)$ as a latent variable governing idealized planar fracture and evaluate two complementary capabilities: (i) latent inference, where the model maps visual observations to plane hypotheses under physically valid conditions, and (ii) latent applicability assessment, where the model determines whether such a representation is meaningful for a given fracture image. Through extensive experiments spanning synthetic data, controlled 2D--3D geometric pairs, and real-world fracture images across multiple material classes -- including ceramics, glass, metals, and concrete -- we show that MLLMs can reliably perform latent inference in idealized settings and, critically, can reject the latent representation when the underlying physics does not support it. As an exploratory extension, we further examine AI-generated fracture sequences and observe qualitatively plausible brittle-fracture progression behaviors, suggesting that multimodal generative models may encode partial implicit physical priors related to material failure dynamics. These results suggest that MLLMs can act as physics-aware reasoning systems conditioned on structured latent priors, provided that the domain of validity is explicitly modeled.
Authors: Congwei Song
Abstract: This paper proposes a general machine learning framework called the localization method, which is fundamentally built on two core concepts: localization kernels and local means -- key components that underpin the self-attention mechanism. To establish a rigorous theoretical foundation, the framework is formally defined through two essential pillars: the formulation of the local(-ized) model and the localization trick. We systematically investigate the connections between the localization method and a wide range of existing machine learning models/methods, including (but not limited to) kernel methods, lazy learning, the MeanShift algorithm, relaxation labeling, Hopfield networks, local linear embedding (LLE), fuzzy inference, and denoising autoencoders (DAEs). By dissecting these relationships, we clarify the broader theoretical significance of the localization method and demonstrate its practical applicability across diverse machine learning tasks. Furthermore, we explore advanced extensions of the framework, such as adaptive kernels, hierarchical local models, and non-local models. Notably, we show that the Transformer -- a cornerstone of modern sequence modeling -- can be constructed using hierarchical local models, revealing the ability of the localization method to unify and generalize state-of-the-art architectures. This work not only provides a unified theoretical lens to reinterpret existing models but also offers new methodological tools for designing flexible, data-adaptive learning systems.
Authors: Chunyuan Deng, Yizhe Zhang, Rui-Jie Zhu, Yuanyuan Xu, Jiarui Liu, T. S. Eugene Ng, Hanjie Chen
Abstract: Looped Transformers (LT) have emerged as a powerful architecture by iterating their layers multiple times before decoding the final token. However, pairing them with full attention retains quadratic complexity, making them computationally expensive and slow. We introduce LT2 (Linear-Time Looped Transformers), a family of looped architectures that replace quadratic softmax attention with subquadratic, linear-time attention. We study two variants: LT2-linear with linear attention and LT2-sparse with sparse attention. We find that looping uniquely synergizes with these variants: it enables iterative memory refinement in linear attention and progressively expands the effective receptive field in sparse attention. We formalize these benefits theoretically and demonstrate consistent empirical gains across controlled recall, state-tracking, and language modeling tasks. We then explore LT2-hybrid, which combines different attention variants in a looped setting. Two variants are especially promising: LT2-hybrid (GDN+DSA), which interleaves linear and sparse attention to maximize efficiency and matches the standard looped transformer's quality at fully linear-time cost; and LT2-hybrid (Full+GDN), which interleaves GDN with a small fraction of full attention layers to maximize quality, surpassing the standard looped transformer in both performance and efficiency. We also show how to convert a pre-trained LT into an LT2-hybrid model. With about 1B tokens of training, our converted model, Ouro-hybrid-1.4B, outperforms industry-level 1B models and is competitive with industry-level 4B models while retaining the speed benefits of linear-time attention. Together, these results show a clear path toward making looped transformers more scalable and advancing efficient, capable small language models.
Authors: Youngjoon Park
Abstract: The global uniform aggregation of random forests leaves conditional bias along the decision boundary uncorrected. To correct this locally, we propose exploiting the structural pattern of each tree's decision path. At inference, a random forest reaches its prediction through the root-to-leaf path the sample traverses in each tree, so path-level reliability offers a finer granularity than tree-level weighting can access. We show that reliability varies meaningfully across path patterns in the boundary region identified by the forest itself, and that using this signal yields a statistically significant accuracy improvement over RF on 36 binary classification benchmarks (Wilcoxon p < 0.0001). We further devise a way to measure the sufficiency of residual information in the fitted RF's decision boundary, providing an estimate of the expected gain before the method is applied; on the qualifying group identified this way, the method delivers a mean +0.99 pp accuracy improvement with strict wins on every dataset (7/0/0). Class-recall regression -- the typical failure mode of RF correction methods -- is measured: zero minority-recall regressions and a single majority-recall regression at the 0.2 pp threshold, indicating that the correction operates in the direction of bias reduction rather than class trade-off. Our work suggests that the structural information of decision paths, previously overlooked in random forest research, can contribute to RF performance improvement.
Authors: Xingyu Lyu, Qianqian Xu, Zhiyong Yang, Peisong Wen, Qingming Huang
Abstract: Gated Linear Units (GLU) and their variants are widely adopted in modern open-source large language model architectures and consistently outperform their non-gated counterparts, yet the underlying reasons for this advantage remain unclear. In this work, we study GLU by analyzing two-layer networks in the neural tangent kernel (NTK) regime. Our analysis reveals that the GLU structure reshapes the NTK spectrum, leading to a smaller condition number and a more compact eigenvalue distribution. Building on this finding, we further analyze the resulting training dynamics and show how the reshaped spectrum leads to faster convergence of GLU models, including a characteristic loss-crossing phenomenon observed between GLU and non-GLU models. Finally, we empirically observe that GLU has limited impact in reducing the generalization gap on various models, including ViT and GPT-2, suggesting that its primary benefit lies in accelerating optimization rather than reducing the generalization gap. The code is available at: https://github.com/Zemdalk/GLU-NTK.
Authors: Zexing Zhao, Guangsi Shi, Yu Gong, Tianyu Wang, Shirui Pan, Hongye Cheng, Yuxiao Li
Abstract: Graph Neural Networks (GNNs) have emerged as a cornerstone of deep learning, with most existing methods rooted in graph signal processing and diffusion equations to model message passing. However, these approaches inherently suffer from the oversmoothing problem, where node features become indistinguishable as the network depth increases. Inspired by the Navier Stokes equations, we introduce Graph Navier Stokes Networks (GNSN), a novel architecture that transcends conventional diffusion-based message passing by incorporating convection into graph structures. GNSN defines a dynamic velocity field on the graph to govern convection, enabling more efficient and direct message propagation. By adaptively balancing convection and diffusion, GNSN is able to efficiently handle datasets with varying levels of homophily. Extensive evaluations across twelve real-world datasets demonstrate that GNSN consistently outperforms state-of-the-art baselines in classification accuracy. Moreover, experimental results further emphasize its effectiveness in alleviating the oversmoothing problem.
Authors: Chengze Li, Lingwei Wei, Li Sun, Hongbo Lv, Jie Yang, Hanrong Zhang, Kening Zheng, Wei-Chieh Huang, Enze Ma, Philip S. Yu
Abstract: Partial differential equation (PDE) foundation models are pretrained networks that forecast how physical fields like velocity and pressure evolve from a single reusable solver. On unfamiliar flows their predictions drift step by step, errors concentrate in a few regions, yet retraining destabilizes the network and uniform post-hoc correction overlooks this spatial concentration. To address this, we propose a frozen-solver post-hoc correction framework, Adaptive Risk-Calibrated Spatial Triage for Auditable Refinement (ARC-STAR). ARC-STAR organizes correction into three stages: a global corrector removes broad solver bias, a blockwise local refiner cleans the post-global residual, and, at deployment, a label-free score routes refinement to high-risk blocks under a compute budget. The framework is designed to be (i) frozen-host, preserving the pretrained solver without fine-tuning; (ii) auditable, with global and local stages trained and evaluated separately for measurable contributions; and (iii) budget-aware, using a blockwise interface that either refines the full field or routes limited compute to high-risk regions. Across five flow benchmarks spanning ten regime cells, ARC-STAR is the only method that cuts velocity rollout error by at least 36x over raw Poseidon on every cell. The global stage reduces raw host error by 91-99%, and the local stage further reduces the remaining post-global residual by up to 94.4%.
Authors: Birgit K\"uhbacher, Daan Crommelin, Niki Kilbertus
Abstract: Weather and climate forecasts are inherently uncertain due to chaotic dynamics, imperfect initial conditions, and incomplete representation of the underlying physical processes. Operational ensemble forecasts aim to represent these uncertainties through forecast spread, yet many approaches yield underdispersive estimates, with spread that grows too slowly relative to forecast error. Using the two-scale Lorenz 1996 system as a widely used, controlled testbed, we design a systematic approach to disentangle intrinsic variability, initial-condition perturbations, and stochastic model uncertainty. We compare multiple ensemble configurations and parameterization strategies, including existing deterministic and autoregressive as well as novel Bayesian and flow-based approaches. Our results show that ensemble perturbations do not increase the system's long-term variance; rather, they regulate how rapidly trajectories decorrelate and explore the invariant measure. Stochastic parameterizations, particularly those with temporally persistent structure, enhance early spread growth and improve spread-error consistency. Overall, we bring clarity to how different sources of uncertainty interact in a chaotic system and provide guidance for the design and evaluation of stochastic parameterizations in weather and climate models.
Authors: Giovanni Valer, Luigi Gresele, Marco Bronzini, Emanuele Marconato
Abstract: Linear properties are ubiquitous in the representations of language models; however, testing them experimentally remains a challenging task. This work focuses on relational linearity: the hypothesis that, for a fixed relation (e.g., "plays"), the unembedding of an object (e.g., "trumpet") can be predicted from the embedding of its subject (e.g.,"Miles Davis") by a linear map. We present an experimental method to test the formulation of relational linearity by Marconato et al. (2025). Specifically, we introduce a probing method, based on Kullback-Leibler divergence, to evaluate this property and examine its variation across layers and paraphrased relational queries. It is also more efficient than previous work; for example, it avoids the crude Jacobian approximations used in Linear Relational Embeddings by Hernandez et al. (2024). Our findings across four datasets show that relational linearity varies across models, exhibits layer-wise patterns consistent with prior observations about linguistic information in model representations, and is differently affected by changes in how the relation is phrased.
Authors: Jiayi Fu, Yuxia Wang
Abstract: This tutorial develops diffusion models from the viewpoint of differential equations. We begin with the conditional Gaussian forward process and show that this path admits both an ordinary differential equation (ODE) representation and a stochastic differential equation (SDE) representation. Averaging the conditional process over the data distribution then yields marginalized forward ODE and SDE formulations that transport the data distribution $p_0=p_{\mathrm{data}}$ to a Gaussian prior $p_1=\mathcal{N}(0,I)$. We next derive the corresponding reverse-time dynamics, namely the reverse SDE and the reverse probability-flow ODE, both of which are governed by the marginal score $\grad\log p_t(x)$. This leads to a training objective for score estimation and shows that the standard noise-prediction objective is equivalent to score matching up to an additive constant independent of the model parameters. We then discuss sampling methods for the learned reverse dynamics, including DPM-Solver, as well as guided sampling through classifier guidance and classifier-free guidance. Finally, we compare DDPM and DDIM with the reverse SDE/ODE framework and show that they share the same training objective, while DDPM sampling corresponds to discrete reverse-SDE sampling and DDIM sampling corresponds to reverse-ODE sampling.
Authors: Jos\'e Alberto Rodr\'iguez, Luis Balderas, Miguel Lastra, Antonio Arauzo-Azofra, Jos\'e M. Ben\'itez
Abstract: Time Series Foundation Models (TSFMs) have become a new component of the state-of-the-art in general time series forecasting. However, adapting them to specialized classification tasks remains constrained by two interconnected challenges: the quadratic cost of standard attention mechanisms and the inability to disentangle the structural components underlying time series variability. This technical report introduces ChronoVAE-HOPE, a next-generation TSFM that reconciles massive generalization with structured latent representation for time series classification. The core of the proposal is a Variational Autoencoder (VAE) framework built upon the HOPE Block, which replaces quadratic attention with a dual-memory system: Titans modules for dynamic short-term retention and a Continuum Memory System (CMS) for the abstraction of long-term historical context. A key architectural novelty is the disentangled latent space, which factorizes representations into independent trend and seasonal components via dedicated encoder heads and separate decoder pathways. ChronoVAE-HOPE undergoes self-supervised pre-training on the Monash archive, combining a Masked Time Series Modeling (MTSM) auxiliary objective with a disentangled VAE reconstruction loss. The pre-trained encoder is subsequently frozen and used to generate fixed-length embeddings for downstream classification on the UCR benchmark datasets. Empirical results demonstrate strong performance across diverse temporal domains, particularly in settings characterized by strict causal structure. ChronoVAE-HOPE establishes a robust and interpretable framework for the adaptation of foundation models to time series classification through structured generative representations.
Authors: Vishal Rajput
Abstract: Robustness, domain adaptation, photometric/occlusion invariance, sensor drift, and alignment style are treated as separate literatures with separate method families. Under label-preserving deployment shift they share one geometric object: the covariance Sigma_task = Cov_{Q_n}(n) of ways inputs can change without changing the label. CORAL, adversarial training, augmentation, metric learning, Jacobian penalties, and alignment constraints are not independent tricks--they are estimators of Sigma_task. Fix that object and the Jacobian penalty is pinned by a matrix Sigma' whose range must cover range(Sigma_task)--the matching principle. We prove optimality in a linear-Gaussian model (Thm. A), necessity of range coverage for any quadratic penalty that zeros deployment drift (Thm. G), and the same dichotomy at global minima (Thm. A*_global). Wrong-direction/signal-aligned controls (Lemma C; Cor. E/E*) and seven estimators (Lemmas D1--D7), plus label-free TDI, yield a falsifiable recipe when Sigma_task must be learned. Thirteen blocks (ML through Qwen2.5-7B) test matched vs isotropic vs wrong-direction penalties on geometry and deployment drift. Twelve match theory where identifiability holds; Office-31 is a named eigengap failure. Partial passes: geometry can improve without every headline task metric moving. A pilot 7B DPO run (one epoch, 240 pairs): matched style-PMH preserves Style TDI where standard DPO degrades it. We do not claim standard training reaches global minima (assumption (O) is open), that estimated Sigma_task is always identifiable, or dominance on every leaderboard. We claim a falsifiable design recipe: estimate Sigma_task, match Sigma', run the controls, report task and geometry separately.
Authors: Meir Roketlishvili, Semyon Semenov, Maksim Bobrin, Viktor Kovalchuk, Albert Baichorov, Abduragim Shtanchaev, Fakhri Karray, Dmitry V. Dylov, Martin Tak\'a\v{c}, Arip Asadulaev
Abstract: Compositional energy-based models can generalize to larger combinatorial reasoning problems by reusing a learned factor energy across many local constraints. In our paper, we show that a key bottleneck in compositional reasoning is not composition itself, but the non-convex geometry of the learned energy landscape. To solve this problem, we introduce Convex Compositional Energy Minimization (CCEM), a framework that parameterizes each factor with an input-convex neural network and optimizes the composed energy over a tight convex relaxation of the feasible set. Because convexity is preserved under summation, the global relaxed objective remains convex, enabling deterministic projected first-order optimization. CCEM is trained in two stages: factor-level contrastive learning to shape local energy basins, followed by end-to-end refinement through an unrolled projected solver. Our experiments show that our models trained on small subproblems or a single problem size transfer to larger instances without retraining.
Authors: Hong Qian, Xiang Shu, Xiang Xia, Xuhui Liu, Yangde Fu, Bei Liang, Huibin Wang, Liang Dou
Abstract: Bayesian optimization is widely employed for optimizing complex black-box functions but struggles with the curse of dimensionality. Random embedding, as a dimension reduction strategy, simplifies tasks that possess the effective dimension by optimizing within a low-dimensional subspace. However, determining the effective dimension of a task in advance remains a significant challenge, which influences the selection of the subspace dimensionality and the optimization performance. Traditional methods use fixed subspace dimensions provided by experts or rely on trial and error to estimate subspace dimensions with resources consumed. To this end, this paper proposes an automated random embedding for high-dimensional Bayesian optimization with unknown effective dimension, called Dynamic Shared Embedding Bayesian Optimization (DSEBO). DSEBO starts with a low dimension and switches to a higher subspace if the solutions in the current subspace show preliminary convergence. DSEBO dynamically determines the dimension of the next subspace based on the quality of the solutions in different subspaces and shares the queried solutions with the new subspace for a better initialization. Theoretically, we derive a regret bound for DSEBO and demonstrate that DSEBO can better balance approximation and optimization errors. Extensive experiments on functions with dimensionality of varying magnitudes and real-world tasks with unknown effective dimensions reveal that, compared with state-of-the-art methods, alternating optimization across different subspaces results in significant improvements in high-dimensional optimization, both in terms of optimization regret and time.
Authors: Zhangyi Hu, Chenhui Liu, Tian Huang, Jindong Li, Yang Yang, Jiemin Wu, Zining Zhong, Menglin Yang, Yutao Yue
Abstract: Recently, Reinforcement Learning with Verifiable Rewards (RLVR) and Test-Time Scaling (TTS) have advanced LLM code generation through executable verification. Yet Ground-Truth Unit Tests (GT UTs) remain a bottleneck: SOTA RLVR methods require them for costly training, while existing TTS methods lose competitiveness without them. This motivates GT-free TTS, where existing methods directly use self-generated UTs to refine and select code candidates. Yet such UTs are often noisy or spuriously coupled with wrong code, and UT quality in turn cannot be validated without reliable code. The key challenge is therefore to jointly improve both. To this end, we present CoSPlay, a GT-free, training-free framework that jointly improves codes and UTs through cooperative self-play. It first explores diverse solution ideas and identifies their potential failure modes to produce discriminative UT ideas. It then uses bidirectional pass-count signals from the Code-UT execution matrix to iteratively prune or fix weak codes and refresh or replace unreliable UTs, letting the two pools co-evolve. Finally, when multiple codes remain tied at the highest pass count, it picks the final code from the largest output-consensus cluster, since correct codes agree on the same inputs while wrong codes diverge. Experiments on four challenging benchmarks show that CoSPlay on Qwen2.5-7B-Instruct improves average BoN from 22.1% to 33.2% and UT accuracy from 14.6% to 78.3%, matching or surpassing the RLVR model CURE-7B. When applied to CURE-7B, it further improves BoN by 5.7%. CoSPlay also generalizes across diverse backbones and outperforms GT-free TTS baselines under comparable token budgets, with continued gains as the budget scales up. These results suggest a scalable inference strategy for competitive code generation without any GT data.
Authors: Xiang Fang, Yuchong Hu, Pan Zhou, Dapeng Oliver Wu
Abstract: Multi-view clustering has wide applications in many image processing scenarios. In these scenarios, original image data often contain missing instances and noises, which is ignored by most multi-view clustering methods. However, missing instances may make these methods difficult to use directly and noises will lead to unreliable clustering results. In this paper, we propose a novel Auto-weighted Noisy and Incomplete Multi-view Clustering framework (ANIMC) via a soft auto-weighted strategy and a doubly soft regular regression model. Firstly, by designing adaptive semi-regularized nonnegative matrix factorization (adaptive semi-RNMF), the soft auto-weighted strategy assigns a proper weight to each view and adds a soft boundary to balance the influence of noises and incompleteness. Secondly, by proposing{\theta}-norm, the doubly soft regularized regression model adjusts the sparsity of our model by choosing different{\theta}. Compared with existing methods, ANIMC has three unique advantages: 1) it is a soft algorithm to adjust our framework in different scenarios, thereby improving its generalization ability; 2) it automatically learns a proper weight for each view, thereby reducing the influence of noises; 3) it performs doubly soft regularized regression that aligns the same instances in different views, thereby decreasing the impact of missing instances. Extensive experimental results demonstrate its superior advantages over other state-of-the-art methods.
Authors: Lesi Chen, Yaohua Ma, Jingzhao Zhang
Abstract: In this work, we consider bilevel optimization when the lower-level problem is strongly convex. Recent works show that with a Hessian-vector product (HVP) oracle, one can provably find an $\epsilon$-stationary point within ${\mathcal{O}}(\epsilon^{-2})$ oracle calls. However, the HVP oracle may be inaccessible or expensive in practice. Kwon et al. (ICML 2023) addressed this issue by proposing a first-order method that can achieve the same goal at a slower rate of $\tilde{\mathcal{O}}(\epsilon^{-3})$. In this paper, we incorporate a two-time-scale update to improve their method to achieve the near-optimal $\tilde {\mathcal{O}}(\epsilon^{-2})$ first-order oracle complexity. Our analysis is highly extensible. In the stochastic setting, our algorithm can achieve the stochastic first-order oracle complexity of $\tilde {\mathcal{O}}(\epsilon^{-4})$ and $\tilde {\mathcal{O}}(\epsilon^{-6})$ when the stochastic noises are only in the upper-level objective and in both level objectives, respectively. When the objectives have higher-order smoothness conditions, our deterministic method can escape saddle points by injecting noise, and can be accelerated to achieve a faster rate of $\tilde {\mathcal{O}}(\epsilon^{-1.75})$ using Nesterov's momentum.
Authors: Qinmeng Luan, James Hamp
Abstract: Recent work has proposed Wasserstein k-means (Wk-means) clustering as a powerful method to classify regimes in time series data, and one-dimensional asset returns in particular. In this paper, we begin by studying in detail the behaviour of the Wasserstein k-means clustering algorithm applied to synthetic one-dimensional time series data. We extend the previous work by studying, in detail, the dynamics of the clustering algorithm and how varying the hyperparameters impacts the performance over different random initialisations. We compute simple metrics that we find to be useful in identifying high-quality clusterings. We then extend the technique of Wasserstein k-means clustering to multidimensional time series data by approximating the multidimensional Wasserstein distance as a sliced Wasserstein distance, resulting in a method we call 'sliced Wasserstein k-means (sWk-means) clustering'. We apply the sWk-means clustering method to the problem of automated regime classification in multidimensional time series data, using synthetic data to demonstrate the validity and effectiveness of the approach. Finally, we show that the sWk-means method is able to identify distinct market regimes in real multidimensional financial time series, using publicly available foreign exchange spot rate data as a case study. We conclude with remarks about some limitations of our approach and potential complementary or alternative approaches.
Authors: Robin Karlsson, Francisco Lepe-Salazar, Kazuya Takeda
Abstract: Vision-language models (VLMs) transform environment percepts into vision-language semantics interpretable by LLMs. However, completing complex tasks often requires reasoning about information beyond what is currently perceived. We propose latent compositional semantic embeddings z* as a principled learning-based knowledge representation for queryable spatio-semantic memories. We mathematically prove that z* can always be found, and that the optimal z* is the centroid for any set Z. We derive a probabilistic bound for estimating separability of related and unrelated semantics. We prove that z* is discoverable from visual appearance and singular descriptions by iterative gradient descent. We experimentally verify our findings on four embedding spaces including CLIP and SBERT. Our results show that z* can represent up to 10 semantics encoded by SBERT, and up to 100 semantics for ideal uniformly distributed high-dimensional embeddings. We introduce three new datasets with overlapping semantics to show that common VLMs trained on conventional nonoverlapping annotations discover z*. Our novel sufficient similarity inference method overcomes fundamental limitations of conventional inference, and improves higher-level overlapping semantic inference performance by 19.63 mIoU on average.
Authors: Anton Fran\c{c}ois, Rapha\"el Tinarrage
Abstract: We investigate a framework for train-free MRI segmentation based on Topological Data Analysis. The pipeline proceeds in three steps, first identifying the whole object to segment via automatic thresholding, then detecting a distinctive subset whose topology is known in advance, and finally deducing the various components of the segmentation. A key ingredient is the extraction of approximate representative cycles from persistence diagrams, which provides an interpretable link between persistent features and anatomical components. To clarify the method's scope, we make the underlying topological and intensity assumptions explicit, quantify when they hold on real data, and analyze typical failure modes. We evaluate the approach on glioblastoma and on fetal cortical plate segmentation, with comparisons to unsupervised and deep-learning references. By operating without large annotated datasets, the method is well suited to scarce-data settings and provides an interpretable baseline and practical initialization for expert refinement or learning-based pipelines.
Authors: Pengyi Li, Jianye Hao, Hongyao Tang, Xian Fu, Yan Zheng, Ke Tang
Abstract: Evolutionary Reinforcement Learning (ERL), which integrates Evolutionary Algorithms (EAs) and Reinforcement Learning (RL) for optimization, has demonstrated remarkable performance advancements. By fusing both approaches, ERL has emerged as a promising research direction. This survey offers a comprehensive overview of the diverse research branches in ERL. Specifically, we systematically summarize recent advancements in related algorithms and identify three primary research directions: EA-assisted Optimization of RL, RL-assisted Optimization of EA, and synergistic optimization of EA and RL. Following that, we conduct an in-depth analysis of each research direction, organizing multiple research branches. We elucidate the problems that each branch aims to tackle and how the integration of EAs and RL addresses these challenges. In conclusion, we discuss potential challenges and prospective future research directions across various research directions. To facilitate researchers in delving into ERL, we organize the algorithms and codes involved on https://github.com/yeshenpy/Awesome-Evolutionary-Reinforcement-Learning.
URLs: https://github.com/yeshenpy/Awesome-Evolutionary-Reinforcement-Learning.
Authors: Filippo Girardi, Giacomo De Palma
Abstract: We study quantum neural networks made by parametric one-qubit gates and fixed two-qubit gates in the limit of infinite width, where the generated function is the expectation value of the sum of single-qubit observables over all the qubits. First, we prove that the probability distribution of the function generated by the untrained network with randomly initialized parameters converges in distribution to a Gaussian process whenever each measured qubit is correlated only with few other measured qubits. Then, we analytically characterize the training of the network via gradient descent with square loss on supervised learning problems. We prove that, as long as the network is not affected by barren plateaus, the trained network can perfectly fit the training set and that the probability distribution of the function generated after training still converges in distribution to a Gaussian process. Finally, we consider the statistical noise of the measurement at the output of the network and prove that a polynomial number of measurements is sufficient for all the previous results to hold and that the network can always be trained in polynomial time.
Authors: He Chen, Jiajin Li, Anthony Man-Cho So
Abstract: Bregman proximal-type algorithms (BPs), such as mirror descent, have become popular tools in machine learning and data science for exploiting problem structures through non-Euclidean geometries. In this paper, we show that BPs can get trapped near a class of non-stationary points, which we term \emph{spurious stationary points}. Such stagnation can persist for any finite number of iterations if the gradient of the Bregman kernel is not Lipschitz continuous, even in convex problems. The root cause lies in a fundamental contrast in descent behavior between Euclidean and Bregman geometries: While Euclidean gradient descent ensures sufficient decrease near any non-stationary point, BPs may exhibit arbitrarily slow decrease around spurious stationary points. As a result, commonly used Bregman-based stationarity measure, such as relative change in terms of Bregman divergence, can vanish near spurious stationary points. This may misleadingly suggest convergence, even when the iterates remain far from any true stationary point. Our analysis further reveals that spurious stationary points are not pathological, but rather occur generically in a broad class of nonconvex problems with polyhedral constraints. Taken together, our findings reveal a serious blind spot in Bregman-based optimization methods and calls for new theoretical tools and algorithmic safeguards to ensure reliable convergence.
Authors: Yuantong Li, Guang Cheng, Xiaowu Dai
Abstract: Recommender systems play a crucial role in internet economies by connecting users with relevant products. However, designing effective recommender systems faces the key challenges: the exploration-exploitation tradeoff in securing incentive to explore new products against user's self-interested preferences. While prior work addresses Bayesian Incentive Compatibility (BIC) in fixed-design linear bandits (Sellke & Slivkins, 2023), we tackle the challenge of stochastic user covariates sampled online. Unlike standard black-box reductions (Mansour et al., 2020), our two-stage framework exploits the linear reward structure to achieve sublinear regret while satisfying incentive constraints. To address it, we propose a two-stage algorithm that integrates incentivized exploration with any efficient plug-in offline learning algorithms. In the first stage, it explores products while maintaining incentive compatibility to gather optimal samples. The second stage employs inverse proportional gap sampling strategy (IPGS) integrated with any efficient learning methods to secure sublinear regret. Theoretically, we prove that algorithm RCB achieves $O(\sqrt{KdT})$ regret and simultaneously satisfies incentive constraints, and discovers the tradeoff between incentive budget and regret, validating in experiments. We demonstrate RCB's strong incentive gain, sublinear regret, and robustness through a real application on personalized warfarin dosing and simulations.
Authors: Samar Fares, Klea Ziu, Toluwani Aremu, Nikita Durasov, Martin Tak\'a\v{c}, Pascal Fua, Ivan Laptev, Karthik Nandakumar
Abstract: Vision-Language Models (VLMs) are increasingly susceptible to sophisticated adversarial attacks, including adaptive strategies specifically designed to bypass existing defenses. To address this vulnerability, we propose MirrorCheck, a robust and model-agnostic detection framework that operates effectively in both unimodal and multimodal settings. MirrorCheck leverages Text-to-Image (T2I) models to regenerate visual content from captions produced by the target model and assesses semantic consistency by comparing feature-space embeddings between the original and synthesized images. To enhance robustness against adaptive attacks, MirrorCheck introduces a stochastic defense strategy that randomly selects T2I generators and image encoders from a diverse model zoo. Additionally, we incorporate a novel One-Time-Use (OTU) perturbation applied to the selected encoder embeddings, regulated by a scaling factor, which decreases the effectiveness of adaptive attacks. Extensive experiments across multiple threat scenarios demonstrate that MirrorCheck consistently outperforms baseline methods, and maintains its utility even under strong adaptive adversarial conditions.
Authors: Kiran Purohit, Anurag Reddy Parvathgari, Sourangshu Bhattacharya
Abstract: Deep convolutional neural networks (CNNs) have achieved impressive performance in many computer vision tasks. However, their large model sizes require heavy computational resources, making pruning redundant filters from existing pre-trained CNNs an essential task in developing efficient models for resource-constrained devices. Whole-network filter pruning algorithms prune varying fractions of filters from each layer, hence providing greater flexibility. Current whole-network pruning methods are either computationally expensive due to the need to calculate the loss for each pruned filter using a training dataset, or use various heuristic / learned criteria for determining the pruning fractions for each layer. This paper proposes a two-level hierarchical approach for whole-network filter pruning which is efficient and uses the classification loss as the final criterion. The lower-level algorithm (called filter-pruning) uses a sparse-approximation formulation based on linear approximation of filter weights. We explore two algorithms: orthogonal matching pursuit-based greedy selection and a greedy backward pruning approach. The backward pruning algorithm uses a novel closed-form error criterion for efficiently selecting the optimal filter at each stage, thus making the whole algorithm much faster. The higher-level algorithm (called layer-selection) greedily selects the best-pruned layer (pruning using the filter-selection algorithm) using a global pruning criterion. We propose algorithms for two different global-pruning criteria: (1) layer-wise relative error (HBGS), and (2) final classification error (HBGTS). Our suite of algorithms outperforms state-of-the-art pruning methods on ResNet18, ResNet32, ResNet56, VGG16, and ResNext101. Our method reduces the RAM requirement for ResNext101 from 7.6 GB to 1.5 GB and achieves a 94% reduction in FLOPS without losing accuracy on CIFAR-10.
Authors: Mo Chen, Minsheng Hao, Xinquan Liu, Lin Deng, Peng Liu, Chen Li, Dongfang Wang, Kui Hua, Liang Guo, Xuegong Zhang, Lei Wei
Abstract: Cells in multicellular organisms coordinate to form structural and functional niches. With spatial transcriptomics (ST) enabling gene expression profiling in spatial contexts, it has been revealed that spatial niches serve as cohesive and recurrent units in physiological and pathological processes. These observations suggest universal tissue organization principles encoded by conserved niche patterns, and call for a query-based niche analytical paradigm beyond current computational tools. In this work, we defined the niche-query task, which is to identify similar niches across ST samples given a niche of interest (NOI). We further developed QueST, a specialized method for solving this task. QueST models each niche as a subgraph, uses contrastive learning to learn discriminative niche embeddings, and incorporates adversarial training to mitigate batch effects. In simulations and benchmark datasets, QueST outperformed existing methods repurposed for niche querying, accurately capturing niche structures in heterogeneous environments and demonstrating strong generalizability across diverse sequencing platforms. Applied to tertiary lymphoid structures in renal and lung cancers, QueST revealed functionally distinct niches associated with patient prognosis and uncovered conserved and divergent spatial architectures across cancer types. Applied to a combinatorial spatial perturbation dataset, QueST demonstrated a complete de novo discovery-oriented workflow, characterizing previously unresolved tumor nodules through querying. These results demonstrate that QueST enables systematic, quantitative profiling of spatial niches across samples, providing a powerful tool to dissect spatial tissue architecture in health and disease.
Authors: Shu Liu, Stanley Osher, Wuchen Li
Abstract: We propose a scalable preconditioned primal-dual hybrid gradient algorithm for solving partial differential equations (PDEs). We multiply the PDE with a dual test function to obtain an inf-sup problem whose loss functional involves lower-order differential operators. The Primal-Dual Hybrid Gradient (PDHG) algorithm is then leveraged for this saddle point problem. By introducing suitable precondition operators to the proximal steps in the PDHG algorithm, we obtain an alternative natural gradient ascent-descent optimization scheme for updating the neural network parameters. We apply the Krylov subspace method (MINRES) to evaluate the natural gradients efficiently. Such treatment readily handles the inversion of precondition matrices via matrix-vector multiplication. An \textit{a posteriori} convergence analysis is established for the time-continuous version of the proposed algorithm for general linear PDEs. By incorporating appropriate boundary loss terms, we further obtain a refined \textit{a priori} convergence result for elliptic equations in divergence form. The algorithm is tested on various types of PDEs with dimensions ranging from $1$ to $50$, including linear and nonlinear elliptic equations, reaction-diffusion equations, and Monge-Amp\`ere equations stemming from the $L^2$ optimal transport problems. We compare the performance of the proposed method with several commonly used deep learning algorithms such as physics-informed neural networks (PINNs), the DeepRitz method and weak adversarial networks (WANs) using either the Adam or the L-BFGS optimizer. The numerical results suggest that the proposed method performs efficiently and robustly and converges more stably with higher accuracy.
Authors: S. A. Adedayo
Abstract: Characterising cause-effect relationships in complex systems is fundamental to understanding their underlying mechanisms. Granger causality (GC) remains a widely used computational tool for identifying causal relationships in time series data. However, like other causal discovery methods, GC has limitations and has been criticised for lacking a rigorous causal foundation. In this work, we present a fix to this criticism by reinterpreting GC through the lenses of Reichenbach's principles and causal Bayesian networks. This reinterpretation was implemented as an algorithm we call causalized Granger causality (c-GC). We demonstrate, both theoretically and graphically, that this reformulation endows GC with a robust causal interpretation under specific assumptions. c-GC yields satisfactory results on synthetic data, offering a more principled framework for causal discovery in observational datasets.
Authors: Xiaozhi Liu, Mengmeng Song, Yong Xia
Abstract: The computation of the dominant eigenpair for symmetric positive semidefinite matrices is fundamental in numerical optimization. This work shifts the paradigm from the classical Rayleigh quotient to an unconstrained difference formulation, whose global optimum recovers the dominant eigenpair. Within this framework, we prove that gradient descent with a constant step-size $\alpha \in (0, 1)$ converges almost surely to the global optimum at a local linear rate. This analysis thereby reinterprets the classical power method as the conservative special case $\alpha=1/2$ and rigorously establishes its asymptotic sub-optimality. To advance this first-order scheme, we propose the Split-Merge algorithm based on the majorization-minimization principle. After splitting the matrix, we introduce auxiliary vectors to effectively merge the decomposition factors, resulting in a matrix-free and parameter-free iteration that captures tighter curvature information. We establish that Split-Merge converges almost surely to a global minimizer, and show that the iteration exhibits a spectral peeling mechanism that suppresses the targeted eigenspace, potentially surpassing the static linear rate of power iterations. Numerical evaluations across synthetic and real-world datasets confirm that our method has scalable efficiency, achieving speed-ups exceeding $10\times$ over the power method, with performance comparable to subspace iterations.
Authors: Hang Yu, Takayuki Miyagi
Abstract: Constructing fast and accurate surrogate models is a key ingredient for making robust predictions in many topics. We introduce a new model, the Multiparameter Eigenvalue Problem (MEP) emulator. The new method connects emulators and can make predictions directly from observables to observables. We present that the MEP emulator can be trained with data from Eigenvector Continuation (EC) and Parametric Matrix Model (PMM) emulators. A simple simulation on a one-dimensional lattice confirms the performance of the MEP emulator. Using $^{28}$O as an example, we also demonstrate that the predictive probability distribution of the target observables can be easily obtained through the new emulator.
Authors: Niklas Grieger, Siamak Mehrkanoon, Philipp Ritter, Stephan Bialonski
Abstract: Automation of sleep analysis, including both macrostructural (sleep stages) and microstructural (e.g., sleep spindles) elements, promises to enable large-scale sleep studies and to reduce variance due to inter-rater incongruencies. While individual steps, such as sleep staging and spindle detection, have been studied separately, the feasibility of automating multi-step sleep analysis remains unclear. In this case study, we evaluate whether a fully automated analysis using validated machine learning models for sleep staging (RobustSleepNet) and subsequent spindle detection (SUMOv2) can replicate findings from an expert-based study of bipolar disorder. The automated analysis qualitatively reproduced key findings from the expert-based study, including significant differences in fast spindle densities between bipolar patients and healthy controls, accomplishing in minutes what previously took months to complete manually. While the results of the automated analysis differed quantitatively from the expert-based study, possibly due to biases between expert raters or between raters and the models, the models individually performed at or above inter-rater agreement for both sleep staging and spindle detection. Our results demonstrate that fully automated approaches have the potential to facilitate large-scale sleep research. We are providing public access to the tools used in our automated analysis by sharing our code and introducing SomnoBot, a privacy-preserving sleep analysis platform.
Authors: Seungeun Oh, Jinhyuk Kim, Jihong Park, Seung-Woo Ko, Jinho Choi, Tony Q. S. Quek, Seong-Lyun Kim
Abstract: To support emerging language-based applications using dispersed and heterogeneous computing resources, the hybrid language model (HLM) offers a promising architecture, where an on-device small language model (SLM) generates draft tokens that are validated and corrected by a remote large language model (LLM). However, the original HLM suffers from substantial communication overhead, as the LLM requires the SLM to upload the full vocabulary distribution for each token. Moreover, both communication and computation resources are wasted when the LLM validates tokens that are highly likely to be accepted. To overcome these limitations, we propose communication-efficient and uncertainty-aware HLM (CU-HLM). In CU-HLM, the SLM transmits truncated vocabulary distributions only when its output uncertainty is high. We validate the feasibility of this opportunistic transmission by discovering a strong correlation between SLM's uncertainty and LLM's rejection probability. Furthermore, we theoretically derive optimal uncertainty thresholds and optimal vocabulary truncation strategies. Simulation results show that, compared to standard HLM, CU-HLM achieves up to 206$\times$ higher token throughput by skipping 74.8% transmissions with 97.4% vocabulary compression, while maintaining 97.4% accuracy.
Authors: Yuezhou Ma, Haixu Wu, Hang Zhou, Huikun Weng, Jianmin Wang, Mingsheng Long
Abstract: Physics sensing plays a central role in many scientific and engineering domains, which inherently involves two coupled tasks: reconstructing dense physical fields from sparse observations and optimizing scattered sensor placements to observe maximum information. While deep learning has made rapid advances in sparse-data reconstruction, existing methods generally omit optimization of sensor placements, leaving the mutual enhancement between reconstruction and placement on the shelf. To change this suboptimal practice, we propose PhySense, a synergistic two-stage framework that learns to jointly reconstruct physical fields and to optimize sensor placements, both aiming for accurate physics sensing. The first stage involves a flow-based generative model enhanced by cross-attention to adaptively fuse sparse observations. Leveraging the reconstruction feedback, the second stage performs sensor placement via projected gradient descent to satisfy spatial constraints. We further prove that the learning objectives of the two stages are consistent with classical variance-minimization principles, providing theoretical guarantees. Extensive experiments across three challenging benchmarks, especially a 3D geometry dataset, indicate PhySense achieves state-of-the-art physics sensing accuracy and discovers informative sensor placements previously unconsidered. Code is available at this repository: https://github.com/thuml/PhySense.
Authors: Omer Luxembourg, Haim Permuter, Eliya Nachmani
Abstract: Masked diffusion language models (MDLMs) promise fast, non-autoregressive text generation, yet existing samplers, which pick tokens to unmask based on model confidence, ignore interactions when unmasking multiple positions in parallel and effectively reduce to slow, autoregressive behavior. We propose the Dilated Unmasking Scheduler (DUS), an inference-only, planner-model-free method that partitions sequence positions into non-adjacent dilated groups and unmasks them in parallel so as to minimize an upper bound on joint entropy gain at each denoising step. By explicitly trading off the number of network calls against generation quality, DUS recovers most of the performance lost under traditional parallel unmasking strategies. Across math (GSM8K, MATH500), code (HumanEval, MBPP), general-knowledge (BBH, MMLU-Pro), and instruction following (IFEval) benchmarks, DUS outperforms confidence-based planners and turns the diffusion-specific quality-speed trade-off into a deterministic, predictable speedup set by the block size $B$, yielding up to $5.8\times$ wall-clock speedup over token-by-token MDLM decoding without modifying the underlying denoiser. Applied as a drop-in post-filter, dilated spacing also improves adaptive samplers. Code is available at https://github.com/omerlux/DUS.
Authors: Ben Adcock, Bernhard Hientzsch, Akil Narayan, Yiming Xu
Abstract: Motivated by the need for efficient estimation of conditional expectations, we consider a least-squares function approximation problem with heavily polluted data. Existing methods that are effective in the small-noise regime are suboptimal when large noise is present. To address this issue, we propose a hybrid approach that combines Christoffel sampling with optimal experimental design. We show that the proposed algorithm enjoys appropriate optimality properties for both sample point generation and noise mollification, leading to improved computational efficiency and sample complexity compared to existing methods. We also extend the algorithm to convexity-constrained settings with similar theoretical guarantees. When the target function is defined as the expectation of a random field, we further extend our approach to leverage adaptive random subspaces and establish results on the approximation capacity of the adaptive procedure. Our theoretical findings are supported by numerical studies on both synthetic data and on a more challenging stochastic simulation problem in computational finance.
Authors: Kyriakos C. Georgiou, Constantinos Siettos, Athanasios N. Yannacopoulos
Abstract: Building on our previous work on Fredholm Neural Networks (Fredholm NNs/ FNNs) for solving integral equations, we extend the framework to inverse problems for linear and nonlinear elliptic partial differential equations. The proposed scheme consists of a custom-designed deep neural network (DNN) in which the number of layers, weights, biases and hyperparameters are computed in an explainable manner based on a fixed-point scheme, and we therefore refer to this as the Potential Fredholm Neural Network (PFNN). We first build the PFNN as a method for solving the forward problem, showing that this approach ensures both a high accuracy and explainability, achieving small errors in the interior of the domain, and near machine-precision on the boundary. We then use this approach to solve inverse problems for elliptic PDEs, and provide a rigorous proof for the consistency of the scheme and error bounds for both the interior and boundary of the domain, tied directly to the architecture of the PFNN. In particular, we show that these error bounds depend on the approximation of the boundary function and the integral discretization scheme, both of which directly correspond to components of the Fredholm NN architecture. In this way, we construct an explainable scheme that provides accurate solutions to the inverse problems, whilst still explicitly respecting the boundary conditions, due to the architecture of the PFNN. We assess the performance of the proposed scheme for linear and semi-linear elliptic PDEs in two and three dimensions.
Authors: Peng Ding, Rick Stevens
Abstract: Every LLM tool call is structurally an RPC -- a function name, JSON arguments, and a serialized result -- yet each protocol (native Python, MCP, OpenAPI, LangChain) is integrated from scratch. We present ToolRegistry, a system that makes this RPC nature explicit: a single Tool object acts as a universal stub regardless of transport, while the registry serves as the RPC client runtime for dispatch, schema generation, and execution. The system ships as three packages -- a core registry, a server exposing tools over MCP and OpenAPI, and a hub of production-ready implementations -- and invokes tools through pluggable thread or process backends. The system now also provides tag-based permission policies, BM25F-powered progressive tool disclosure for large registries, think-augmented function calling, multi-provider schema support (OpenAI, Anthropic, Gemini), declarative JSONC/YAML configuration, and a near-zero-dependency core built on stdlib-only vendored modules. In our benchmarks the library cuts integration code by 60-80%, and choosing the right concurrency mode (thread vs. process) yields up to 3.1x throughput over the alternative for a given workload. ToolRegistry is open-source at https://github.com/Oaklight/ToolRegistry; documentation lives at https://toolregistry.readthedocs.io/.
URLs: https://github.com/Oaklight/ToolRegistry;, https://toolregistry.readthedocs.io/.
Authors: Cassandra Tong Ye, Shamus Li, Tyler King, Kristina Monakhova
Abstract: While deep learning offers tremendous promise for scientific and medical imaging, any failures and hallucinations (predictions that do not coincide with reality) are hard to pinpoint and can have serious downstream consequences. Uncertainty estimation techniques, such as conformal prediction, can help by predicting statistically valid error bars for a model's prediction. However, popular conformal prediction methods were not designed for high-dimensional image-valued problems and do not take into account spatial correlations within an image during conformal calibration, resulting in larger-than-necessary uncertainty intervals. We propose a practical simultaneous quantile regression method that enables non-linear, spatially-adaptive scaling during conformal calibration. Our method, QUTCC uses a U-Net architecture with a quantile embedding to learn a full conditional quantile distribution during training, and then leverages this non-linear, learned function for spatially-adaptive conformal calibration. At test time, our method can efficiently estimate uncertainty intervals with pixel-marginal coverage guarantees. In addition, QUTCC can also predict pixel-wise conditional probability density estimates without any built-in distributional assumptions. We evaluate our method on several denoising problems, accelerated magnetic resonance imaging, and quantitative phase microscopy. Our method consistently produces tighter uncertainty intervals than prior conformal methods at the same coverage level, can predict plausible conditional distributions for different tasks, and in some cases, high-uncertainty regions can help us locate hallucinations in a model's prediction.
Authors: Sabin Roman, Ljupco Todorovski, Saso Dzeroski, Gregor Skok
Abstract: The Universal Thermal Climate Index (UTCI) is a measure of thermal comfort that quantifies how humans experience environmental conditions. Due to its robustness and versatility as a bioclimatic indicator, it has been extensively employed across a wide range of studies in bioclimatology and is increasingly used as an operational measure of outdoor thermal comfort. Calculating the UTCI value from the relevant environmental parameters is nominally not straightforward, which is why using a 6th-degree polynomial approximation has become the standard way to calculate UTCI values. Although it is computationally efficient, the error of this polynomial approximation can be substantial. The goal of this study was to develop an improved version of the polynomial approximation - one that retains comparable computational efficiency but is more robust in terms of numerical stability and substantially more accurate, particularly in reducing the frequency of larger errors. This goal was achieved using sparse orthogonal regression, namely sparse regression with an orthogonal polynomial basis, which not only substantially reduces the average errors (i.e., the mean error, the mean absolute error, and the root mean square error) but also drastically reduces the frequency of large errors. By leveraging Legendre polynomial bases, approximation models could be constructed that efficiently populate a Pareto front of accuracy versus complexity and exhibit stable, hierarchical coefficient structures across varying model capacities. Training the new approximation models over only 20% of the data, with the testing performed over the remaining 80%, highlights successful generalization, with the results being robust under bootstrapping. The decomposition effectively approximates the UTCI as a Fourier-like expansion in an orthogonal basis, yielding results near the theoretical optimum in the L2 (least squares) sense.
Authors: Xinxing Wu
Abstract: Traditional syllabi often function as static reference documents rather than engaging introductions to a course. In practical teaching, we observe that few students thoroughly read or fully comprehend the information provided in traditional, text-based course syllabi, which can leave essential information underused. This paper reframes syllabus communication as a design problem and documents an AI-assisted workflow for transforming a traditional syllabus into a musical, video-based, and avatar-enhanced learning artifact. The paper traces the process of lyrical adaptation, music generation, video composition, avatar synthesis, and optional browser-based interaction. And the paper contributes a reproducible workflow and a concrete example of syllabus reauthoring. The discussion in this paper positions the singing syllabus as a supplement to, not a replacement for, the formal written syllabus and identifies future directions for empirical evaluation. The complete implementation described in this paper is publicly available at https://github.com/xinxingwu-uk/SSVA
Authors: Zhimeng Guo, Huaisheng Zhu, Siyuan Xu, Hangfan Zhang, Teng Xiao, Minhao Cheng
Abstract: Protecting intellectual property on LLM-generated code necessitates effective watermarking systems that can operate within code's highly structured, syntactically constrained nature. In this work, we introduce CodeTracer, an innovative adaptive code watermarking framework underpinned by a novel reinforcement learning training paradigm. At its core, CodeTracer features a policy-driven approach that utilizes a parameterized model to intelligently bias token choices during next-token prediction. This strategy ensures that embedded watermarks maintain code functionality while exhibiting subtle yet statistically detectable deviations from typical token distributions. To facilitate policy learning, we devise a comprehensive reward system that seamlessly integrates execution feedback with watermark embedding signals, balancing process-level and outcome-level rewards. Additionally, we employ Gumbel Top-k reparameterization to enable gradient-based optimization of discrete watermarking decisions. Extensive comparative evaluations demonstrate CodeTracer's significant superiority over state-of-the-art baselines in both watermark detectability and the preservation of generated code's functionality. Our code is available at https://github.com/TimeLovercc/CodeTracer.
Authors: Abdullah Al Nomaan Nafi, Habibur Rahaman, Zafaryab Haider, Tanzim Mahfuz, Fnu Suya, Swarup Bhunia, Prabuddha Chakraborty
Abstract: Numerous techniques have been proposed for generating adversarial examples in white-box settings under strict Lp-norm constraints. However, such norm-bounded examples often fail to align well with human perception, and only a few methods specifically explore perceptually aligned adversarial examples. Moreover, it remains unclear whether insights from Lp-constrained attacks can be effectively leveraged to improve perceptual efficacy. In this paper, we introduce DASH, a fully differentiable meta-attack framework that generates effective and perceptually aligned adversarial examples by strategically composing existing Lp-based attack methods. DASH operates in a multi-stage fashion: at each stage, it aggregates candidate adversarial examples from multiple base attacks using learned, adaptive weights and propagates the result to the next stage. A novel meta-loss function guides this process by jointly minimizing misclassification loss and perceptual distortion, enabling the framework to dynamically modulate the contribution of each base attack throughout the stages. We evaluate DASH on adversarially trained models across CIFAR-10, CIFAR-100, and ImageNet. Despite relying solely on Lp-constrained based methods, DASH significantly outperforms state-of-the-art perceptual attacks such as AdvAD, achieving higher attack success rates (e.g., 20.63% improvement) and superior visual quality, as measured by SSIM, LPIPS, and FID (improvements $\approx$ of 11, 0.015, and 5.7, respectively). Furthermore, DASH generalizes well to unseen defenses, making it a practical and strong baseline for evaluating robustness without requiring handcrafted adaptive attacks for each new defense.
Authors: Malinda Lu, Yue-Jane Liu, Matthew K. Nock, Yaniv Yacoby
Abstract: Ecological Momentary Assessment (EMA) studies enable the collection of high-frequency self-reports of suicidal thoughts and behaviors (STBs) via smartphones. Latent stochastic differential equations (SDEs) are a promising model class for EMA data, as it is irregularly sampled, noisy, and partially observed. But SDE-based models suffer from two key limitations. (a) These models often violate domain constraints, undermining scientific validity and clinical trust of the model. (b) Training is numerically unstable without ad hoc fixes (e.g. oversimplified dynamics) that are ill-suited for high-stakes applications. Here, we develop a novel class of expressive SDEs whose solutions are provably confined to a prescribed compact polyhedral state space, matching the domains of EMA data. In this work, (1) we show why chain-rule based constructions of SDEs on compact domains fail, theoretically and empirically; (2) we derive constraints on drift and diffusion for general and stationary SDEs so their solutions remain in the desired state space; and (3), we introduce a parameterization that maps arbitrary (neural or expert-given) dynamics into constraint-satisfying SDEs. On several real EMA datasets, including a large suicide-risk study, our parameterization improves forecasts and optimization dynamics over standard latent neural SDE baselines. These contributions pave the way for principled, trustworthy continuous-time models of suicide risk and other clinical time series and extend applications of SDE-based methods (e.g. diffusion models) to domains with hard state constraints.
Authors: Akshat Pandey, Karun Kumar, Raphael Tang
Abstract: Pretrained automatic speech recognition (ASR) models such as Whisper perform well but still need domain adaptation to handle unseen parlance. In many real-world settings, collecting speech data is impractical, necessitating text-only adaptation. We propose WhisTLE, a deeply supervised, text-only adaptation method for pretrained encoder-decoder ASR models. WhisTLE trains a variational autoencoder (VAE) to model encoder outputs from text and fine-tunes the decoder using the learned text-to-latent encoder, optionally combined with text-to-speech (TTS) adaptation. At inference, the original encoder is restored, incurring no extra runtime cost. Across four datasets and four ASR models, WhisTLE with TTS reduces word error rate (WER) by a relative 49.0% and outperforms all non-WhisTLE baselines in 100 of 112 scenarios. We also find that WhisTLE additively complements any combination of other domain adaptation approaches; we thus recommend the inclusion of WhisTLE during standard processes for adapting encoder-decoder ASR models.
Authors: Chen Cheng, John Duchi
Abstract: We demonstrate that learning procedures that rely on aggregated labels, e.g., label information distilled from noisy responses, enjoy robustness properties impossible without data cleaning. This robustness appears in several ways. In the context of risk consistency -- when one takes the standard approach in machine learning of minimizing a surrogate (typically convex) loss in place of a desired task loss (such as the zero-one mis-classification error) -- procedures using label aggregation obtain stronger consistency guarantees than those even possible using raw labels. And while classical statistical scenarios of fitting perfectly-specified models suggest that incorporating all possible information -- modeling uncertainty in labels -- is statistically efficient, consistency fails for ``standard'' approaches as soon as a loss to be minimized is even slightly mis-specified. Yet procedures leveraging aggregated information still converge to optimal classifiers, highlighting how incorporating a fuller view of the data analysis pipeline, from collection to model-fitting to prediction time, can yield a more robust methodology by refining noisy signals.
Authors: Yutong Li, Yu Zhu, Yichen Qiao, Ziyu Guan, Lv Shao, Tong Liu, Bo Zheng
Abstract: The pre-ranking stage in industrial recommendation systems faces a fundamental conflict between efficiency and effectiveness. While powerful models like Target Attention (TA) excel at capturing complex feature interactions in the ranking stage, their high computational cost makes them infeasible for pre-ranking, which often relies on simplistic vector-product models. This disparity creates a significant performance bottleneck for the entire system. To bridge this gap, we propose TARQ, a novel pre-ranking framework. Inspired by generative models, TARQ's key innovation is to equip pre-ranking with an architecture approximate to TA by Residual Quantization. This allows us to bring the modeling power of TA into the latency-critical pre-ranking stage for the first time, establishing a new state-of-the-art trade-off between accuracy and efficiency. Extensive offline experiments and large-scale online A/B tests at Taobao demonstrate TARQ's significant improvements in ranking performance. Consequently, our model has been fully deployed in production, serving tens of millions of daily active users and yielding substantial business improvements. The code and data are available at https://github.com/zyody/tarq_sigir2026.
Authors: Gabrijel Boduljak, Laurynas Karazija, Iro Laina, Christian Rupprecht, Andrea Vedaldi
Abstract: We consider the problem of forecasting motion from a single image, i.e., predicting how objects in the world are likely to move, without the ability to observe other parameters such as the object velocities or the forces applied to them. We formulate this task as conditional generation of dense trajectory grids with a model that closely follows the architecture of modern video generators but outputs motion trajectories instead of pixels. This approach captures scene-wide dynamics and uncertainty, yielding more accurate and diverse predictions than prior regressors and generators. We extensively evaluate our method on simulated data, demonstrate its effectiveness on downstream applications such as robotics, and show promising accuracy on real-world intuitive physics datasets. Although recent state-of-the-art video generators are often regarded as world models, we show that they struggle with forecasting motion from a single image, even in simple physical scenarios such as falling blocks or mechanical object interactions, despite fine-tuning on such data. We show that this limitation arises from the overhead of generating pixels rather than directly modeling motion.
Authors: Gianluca Fabiani, Constantinos Siettos, Ioannis G. Kevrekidis
Abstract: The control of high-dimensional distributed parameter systems (DPS) remains a challenge when explicit coarse-grained equations are unavailable. Classical equation-free (EF) approaches rely on fine-scale simulators treated as black-box timesteppers. However, repeated simulations for steady-state computation, linearization, and control design are often computationally prohibitive, or the microscopic timestepper may not even be available, leaving us with data as the only resource. We propose a data-driven alternative that uses local neural operators, trained on spatiotemporal microscopic/mesoscopic data, to obtain efficient short-time solution operators. These surrogates are employed within Krylov subspace methods to compute coarse stable and unstable steady states, while also providing Jacobian information in a matrix-free manner. Krylov-Arnoldi iterations then approximate the dominant eigenspectrum, yielding reduced models that capture the open-loop slow dynamics without explicit Jacobian assembly. Both discrete-time Linear Quadratic Regulator (dLQR) and pole-placement (PP) controllers are based on this reduced system and lifted back to the full nonlinear dynamics, thereby closing the feedback loop. The framework is validated by stabilizing an unstable steady-state of the Liouville-Bratu PDE, demonstrating consistent performance between the learned surrogate and the true system, with quantified degradation under plant-model mismatch.
Authors: Paul Gavrikov, Wei Lin, M. Jehanzeb Mirza, Soumya Jahagirdar, Muhammad Huzaifa, Sivan Doveh, Serena Yeung-Levy, James Glass, Hilde Kuehne
Abstract: Is basic visual understanding really solved in state-of-the-art VLMs? We present VisualOverload, a slightly different visual question answering (VQA) benchmark comprising 2,720 question-answer pairs, with privately held ground-truth responses. Unlike prior VQA datasets that typically focus on near global image understanding, VisualOverload challenges models to perform simple, knowledge-free vision tasks in densely populated (or, overloaded) scenes. Our dataset consists of high-resolution scans of public-domain paintings that are populated with multiple figures, actions, and unfolding subplots set against elaborately detailed backdrops. We manually annotated these images with questions across six task categories to probe for a thorough understanding of the scene. We hypothesize that current benchmarks overestimate the performance of VLMs, and encoding and reasoning over details is still a challenging task for them, especially if they are confronted with densely populated scenes. Indeed, we observe that even the best model (o3) out of 37 tested models only achieves 19.6% accuracy on our hardest test split and overall 69.5% accuracy on all questions. Beyond a thorough evaluation, we complement our benchmark with an error analysis that reveals multiple failure modes, including a lack of counting skills, failure in OCR, and striking logical inconsistencies under complex tasks. Altogether, VisualOverload exposes a critical gap in current vision models and offers a crucial resource for the community to develop better models. Benchmark: http://paulgavrikov.github.io/visualoverload
Authors: Anirban Chatterjee, Sayantan Choudhury, Rohan Hore
Abstract: How can we generate samples from a conditional distribution that we never fully observe? This question arises across a broad range of applications in both modern machine learning and classical statistics, including image post-processing in computer vision, approximate posterior sampling in simulation-based inference, and conditional distribution modeling in complex data settings. In such settings, compared with unconditional sampling, additional feature information can be leveraged to enable more adaptive and efficient sampling. Building on this, we introduce Conditional Generator using MMD (CGMMD), a novel framework for conditional sampling. Unlike many contemporary approaches, our method frames the training objective as a simple, adversary-free direct minimization problem. A key feature of CGMMD is its ability to produce conditional samples in a single forward pass of the generator, enabling practical one-shot sampling with low test-time complexity. We establish rigorous theoretical bounds on the loss incurred when sampling from the CGMMD sampler, and prove convergence of the estimated distribution to the true conditional distribution. In the process, we also develop a uniform concentration result for nearest-neighbor based functionals, which may be of independent interest. Finally, we show that CGMMD performs competitively on synthetic tasks involving complex conditional densities, as well as on practical applications such as image denoising and image super-resolution.
Authors: Ulas Berk Karli, Ziyao Shangguan, Tesca FItzgerald
Abstract: Recent Vision-Language-Action (VLA) models show strong generalization capabilities, yet they lack introspective mechanisms for anticipating failures and requesting help from a human supervisor. We present \textbf{INSIGHT}, a learning framework for leveraging token-level uncertainty signals to predict when a VLA should request help. Using $\pi_0$-FAST as the underlying model, we extract per-token \emph{entropy}, \emph{log-probability}, and Dirichlet-based estimates of \emph{aleatoric and epistemic uncertainty}, and train compact transformer classifiers to map these sequences to help triggers. We explore supervision regimes for strong or weak supervision, and extensively compare them across in-distribution and out-of-distribution tasks. Our results show a trade-off: strong labels enable models to capture fine-grained uncertainty dynamics for reliable help detection, while weak labels, though noisier, still support competitive introspection when training and evaluation are aligned, offering a scalable path when dense annotation is impractical. Crucially, we find that modeling the temporal evolution of token-level uncertainty signals with transformers provides far greater predictive power than static sequence-level scores. This study provides the first systematic evaluation of uncertainty-based introspection in VLAs, opening future avenues for active learning and for real-time error mitigation through selective human intervention.
Authors: Kai Zhang, Xiangchao Chen, Bo Liu, Tianci Xue, Zeyi Liao, Zhihan Liu, Xiyao Wang, Yuting Ning, Zhaorun Chen, Xiaohan Fu, Jian Xie, Yuxuan Sun, Boyu Gou, Qi Qi, Zihang Meng, Jianwei Yang, Ning Zhang, Xian Li, Ashish Shah, Dat Huynh, Hengduo Li, Zi Yang, Sara Cao, Lawrence Jang, Shuyan Zhou, Jiacheng Zhu, Huan Sun, Jason Weston, Yu Su, Yifan Wu
Abstract: A long-term goal of language agents is to learn and improve through their own experience, ultimately outperforming humans in complex, real-world tasks. However, training agents from experience data with reinforcement learning remains difficult in many environments, which either lack verifiable rewards (e.g., websites) or require inefficient long-horizon rollouts (e.g., multi-turn tool use). As a result, most current agents rely on supervised fine-tuning on expert data, which is challenging to scale and generalizes poorly. This limitation stems from the nature of expert demonstrations: they capture only a narrow range of scenarios, and expose the agent to limited environment diversity. We address this limitation with a middle-ground paradigm we call early experience: interaction data generated by the agent's own actions, where the resulting future states serve as supervision without reward signals. Within this paradigm, we study two strategies of using such data: (1) implicit world modeling, which uses collected states to ground the policy in environment dynamics; and (2) self-reflection, where the agent learns from its suboptimal actions to improve reasoning and decision-making. Evaluation across eight diverse environments and multiple model families shows that our approaches consistently improve effectiveness and out-of-domain generalization, highlighting the value of early experience. Moreover, in environments with verifiable rewards, our results provide promising signals that early experience offers a strong foundation for subsequent reinforcement learning, making it a practical bridge between imitation learning and fully experience-driven agents.
Authors: Imranur Rahman, Jill Marley, William Enck, Laurie Williams
Abstract: Developers consistently use version constraints to specify acceptable versions of the dependencies for their project. Pinning dependencies can reduce the likelihood of breaking changes, but comes with a cost of manually managing the replacement of outdated and vulnerable dependencies. On the other hand, floating can be used to automatically get bug fixes and security fixes, but comes with the risk of breaking changes. Security practitioners advocate pinning dependencies to prevent against software supply chain attacks, e.g., malicious package updates. However, since pinning is the tightest version constraint, pinning is the most likely to result in outdated dependencies. Nevertheless, how the likelihood of becoming outdated or vulnerable dependencies changes across version constraint types is unknown. The goal of this study is to aid developers in making an informed dependency version constraint choice by empirically evaluating the likelihood of dependencies becoming outdated or vulnerable across version constraint types at scale. In this study, we first identify the trends in dependency version constraint usage and the patterns of version constraint type changes made by developers in the npm, PyPI, and Cargo ecosystems. We then modeled the dependency state transitions using survival analysis and estimated how the likelihood of becoming outdated or vulnerable changes when using pinning as opposed to the rest of the version constraint types. We observe that among outdated and vulnerable dependencies, the most commonly used version constraint type is floating-minor, with pinning being the next most common. We also find that floating-major is the least likely to result in outdated and floating-minor is the least likely to result in vulnerable dependencies.
Authors: Chunyu Xie, Bin Wang, Fanjing Kong, Jincheng Li, Dawei Liang, Ji Ao, Dawei Leng, Yuhui Yin
Abstract: Fine-grained vision-language understanding requires precise alignment between visual content and linguistic descriptions, a capability that remains limited in current models, particularly in non-English settings. While models like CLIP perform well on global alignment, they often struggle to capture fine-grained details in object attributes, spatial relations, and linguistic expressions, with limited support for bilingual comprehension. To address these challenges, we introduce FG-CLIP 2, a bilingual vision-language model designed to advance fine-grained alignment for both English and Chinese. Our approach leverages rich fine-grained supervision, including region-text matching and long-caption modeling, alongside multiple discriminative objectives. We further introduce the Textual Intra-modal Contrastive (TIC) loss to better distinguish semantically similar captions. Trained on a carefully curated mixture of large-scale English and Chinese data, including a newly released 12M Chinese region-text dataset, FG-CLIP 2 achieves powerful bilingual performance. To enable rigorous evaluation, we present a new benchmark for Chinese multimodal understanding, featuring long-caption retrieval and bounding box classification. Extensive experiments on 29 datasets across 8 tasks show that FG-CLIP 2 outperforms existing methods, achieving state-of-the-art results in both languages. We release the model, code, and benchmark to facilitate future research on bilingual fine-grained vision-language alignment.
Authors: Lin Zhu, Yifeng Yang, Xinbing Wang, Qinying Gu, Nanyang Ye
Abstract: Recent approaches for vision-language models (VLMs) have shown remarkable success in achieving fast downstream adaptation. When applied to real-world downstream tasks, VLMs inevitably encounter both the in-distribution (ID) data and out-of-distribution (OOD) data. The OOD datasets often include both covariate shifts (e.g., known classes with changes in image styles) and semantic shifts (e.g., test-time unseen classes). This highlights the importance of improving VLMs' generalization ability to covariate-shifted OOD data, while effectively detecting open-set semantic-shifted OOD classes. In this paper, inspired by the substantial energy change observed in closed-set data when re-aligning vision-language modalities (specifically by directly reducing the maximum cosine similarity to a low value), we introduce a novel OOD score, named {\Delta}Energy. {\Delta}Energy significantly outperforms the vanilla energy-based OOD score and provides a more reliable approach for OOD detection. Furthermore, {\Delta}Energy can simultaneously improve OOD generalization under covariate shifts, which is achieved by lower-bound maximization for {\Delta}Energy (termed EBM). EBM is theoretically proven to not only enhance OOD detection but also yields a domain-consistent Hessian, which serves as a strong indicator for OOD generalization. Based on this finding, we developed a unified fine-tuning framework that allows for improving VLMs' robustness in both OOD generalization and OOD detection. Extensive experiments on challenging OOD detection and generalization benchmarks demonstrate the superiority of our method, outperforming recent approaches by 10% to 25% in AUROC.
Authors: Akira Okutomi
Abstract: High-confidence errors in large language models are often treated as fragile failures. We study an alternative: some errors may be false fixed points, locally stable, internally coherent, and confidently wrong. This separates robustness from truth-tracking. We develop the separation through a Kantian commitment-gate framing and a minimal linear feedback model in which stability and correctness can diverge. Across three open-weight models, overconfident wrong items are not systematically more locally fragile than confidently correct items under our hidden-state sensitivity probes. Abstention-aware self-critique reduces overconfident wrong commitments by sacrificing coverage, and C3-R, a rule-based explicit feedback gate, sharpens that tradeoff rather than eliminating it. These results motivate, but do not establish, high signal-to-noise (high-SNR) inertia and representational compression as possible mechanisms for stable miscalibration.
Authors: G. Svistunov (Universitat Polit\`ecnica de Val\`encia), A. Akhtarshenas (Universitat Polit\`ecnica de Val\`encia), D. L\'opez-P\'erez (Universitat Polit\`ecnica de Val\`encia), M. Giordani (University of Padova), G. Geraci (Universitat Pompeu Fabra), H. Yanikomeroglu (Carleton University)
Abstract: HAPS are emerging as key enablers in the evolution of 6G wireless networks, bridging terrestrial and non-terrestrial infrastructures. Operating in the stratosphere, HAPS can provide wide-area coverage, low-latency, energy-efficient broadband communications with flexible deployment options for diverse applications. This survey delivers a comprehensive overview of HAPS use cases, technologies, and integration strategies within the 6G ecosystem. The roles of HAPS in extending connectivity to underserved regions, supporting dynamic backhauling, enabling massive IoT, and delivering reliable low-latency communications for autonomous and immersive services are discussed. The paper reviews state-of-the-art architectures for terrestrial and non-terrestrial network integration, highlights recent field trials. Furthermore, key enabling technologies such as channel modeling, AI-driven resource allocation, interference control, mobility management, and energy-efficient communications are examined. The paper also outlines open research challenges. By addressing existing gaps in the literature, this survey positions HAPS as a foundational component of globally integrated, resilient, and sustainable 6G networks.
Authors: Roxanne Holden, Luana Ruiz
Abstract: Graphons, as limits of graph sequences, provide an operator-theoretic framework for analyzing the asymptotic behavior of graph neural operators. Spectral convergence of sampled graphs to graphons induces convergence of the corresponding neural operators, enabling transferability analyses of graph neural networks (GNNs). This paper develops a unified spectral framework that brings together convergence results under different assumptions on the underlying graphon, including no regularity, global Lipschitz continuity, and piecewise-Lipschitz continuity. The framework places these results in a common operator setting, enabling direct comparison of their assumptions, convergence rates, and tradeoffs. We further illustrate the empirical tightness of these rates on synthetic and real-world graphs.
Authors: Zahraa Al Sahili, Maimuna Nowaz, Maryam Fetanat, Ioannis Patras, Matthew Purver
Abstract: Evaluating text-to-image (T2I) systems requires judging not only whether an image matches a prompt, but also whether socially salient attributes are represented faithfully and without unsupported inference. Existing automated evaluators typically rely on face-centric recognizers or contrastive image--text similarity, which provide limited diagnostic feedback and often force predictions even when visual evidence is ambiguous or absent. For fairness-sensitive attributes such as religion and disability, where cues may be contextual, indirect, or intentionally unspecified, these evaluators can therefore miss failure modes that careful human reviewers would notice. We introduce \textsc{FairJudge}, an abstention-aware evaluation protocol that uses instruction-following multimodal LLMs as structured judges for social-attribute prediction, profession grounding, and prompt--image alignment. The protocol constrains outputs to closed label sets, requires visible-evidence rationales, supports an explicit \textsc{unspecified} decision when cues are insufficient, and maps rubric-based alignment judgments to $[-1,1]$. These constraints turn MLLM judging from open-ended assessment into a parseable, auditable evaluation procedure. Across four attribute-prediction benchmarks and three profession/alignment benchmarks, \textsc{FairJudge} outperforms or complements CLIP, DeepFace, VIEScore, and VQAScore. Ablations show that closed labels, abstention, and evidence reporting are central to reliability. We further introduce \textsc{DIVERSIFY} and \textsc{DIVERSIFY-Professions}, two context-rich resources for evaluating social representation and profession grounding beyond face-visible or iconic cues. We release code, prompts, datasets, parser logs, and per-image judge outputs to support reproducible auditing.
Authors: Shinto Eguchi
Abstract: We introduce a density-power weighted variant for the Stein operator, called the $\gamma$-Stein operator. This is a novel class of operators derived from the $\gamma$-divergence, designed to build robust inference methods for unnormalized probability models. The operator's construction (weighting by the model density raised to a positive power $\gamma$ inherently down-weights the influence of outliers, providing a principled mechanism for robustness. Applying this operator yields a robust generalization of score matching that retains the crucial property of being independent of the model's normalizing constant. We extend this framework to develop two key applications: the $\gamma$-kernelized Stein discrepancy for robust goodness-of-fit testing, and $\gamma$-Stein variational gradient descent for robust Bayesian posterior approximation. Empirical results on contaminated Gaussian and quartic potential models show our methods significantly outperform standard baselines in both robustness and statistical efficiency.
Authors: Shanmin Wang, Dongdong Zhao
Abstract: Knowledge Distillation (KD) is essential for compressing large models, yet relying on pre-trained "teacher" models downloaded from third-party repositories introduces serious security risks--most notably backdoor attacks. Existing KD backdoor methods are typically complex and computationally intensive: they employ surrogate student models and simulated distillation to guarantee transferability, and construct triggers similar to universal adversarial perturbations (UAPs), which being not stealthy in magnitude, inherently exhibit strong adversarial behavior. This work questions whether such complexity is necessary and constructs stealthy "weak" triggers--imperceptible perturbations that have negligible adversarial effect. We propose BackWeak, a simple, surrogate-free attack paradigm. BackWeak shows that a powerful backdoor can be implanted by simply fine-tuning a benign teacher with a weak trigger using a very small learning rate. We demonstrate that this delicate fine-tuning is sufficient to embed a backdoor that reliably transfers to diverse student architectures during a victim's standard distillation process, yielding high attack success rates. Extensive empirical evaluations on multiple datasets, model architectures, and KD methods show that BackWeak is efficient, simpler, and often more stealthy than previous elaborate approaches. This work calls on researchers studying KD backdoor attacks to pay particular attention to the trigger's potential adversarial characteristics.
Authors: Mingyu Zhang, Lifeng Zhuo, Tianxi Tan, Guocan Xie, Xian Nie, Yan Li, Renjie Zhao, Zizhu He, Ziyu Wang, Jiting Cai, Yong-Lu Li
Abstract: Humans learn by observing, interacting with environments, and internalizing physics and causality. Here, we aim to ask whether an agent can similarly acquire human-like reasoning from interaction and keep improving with more experience. To study this, we introduce a Game-to-Unseen (G2U) benchmark of 1,000+ heterogeneous games that exhibit significant visual domain gaps. Existing approaches, including VLMs and world models, struggle to capture underlying physics and causality since they are not focused on core mechanisms and overfit to visual details. VLM/VLA agents reason but lack look-ahead in interactive settings, while world models imagine but imitate visual patterns rather than analyze physics and causality. We therefore propose IPR (Interactive Physical Reasoner), using world-model rollouts to score and reinforce a VLM's policy, and introduce PhysCode, a physics-centric action code aligning semantic intent with dynamics to provide a shared action space for prediction and reasoning. Pretrained on 1,000+ games, our IPR performs robustly on levels from primitive intuition to goal-driven reasoning, and even surpasses GPT-5 overall. We find that performance improves with more training games and interaction steps, and that the model also zero-shot transfers to unseen games. These results support physics-centric interaction as a path to steadily improving physical reasoning. Further demos and project details can be found at https://mybearyzhang.github.io/ipr-1.
Authors: Jin-Young Kim, Hyojun Go, Lea Bogensperger, Julius Erbach, Nikolai Kalischek, Federico Tombari, Konrad Schindler, Dominik Narnhofer
Abstract: MeanFlow promises high-quality generative modeling in few steps, by jointly learning instantaneous and average velocity fields. Yet, the underlying training dynamics remain unclear. We analyze the interaction between the two velocities and find: (i) well-established instantaneous velocity is a prerequisite for learning average velocity; (ii) learning of instantaneous velocity benefits from average velocity when the temporal gap is small, but degrades as the gap increases; and (iii) task-affinity analysis indicates that smooth learning of large-gap average velocities, essential for one-step generation, depends on the prior formation of accurate instantaneous and small-gap average velocities. Guided by these observations, we design an effective training scheme that accelerates the formation of instantaneous velocity, then shifts emphasis from short- to long-interval average velocity. Our enhanced MeanFlow training yields faster convergence and significantly better few-step generation: With the same DiT-XL backbone, our method reaches an impressive FID of 2.87 on 1-NFE ImageNet 256x256, compared to 3.43 for the conventional MeanFlow baseline. Alternatively, our method matches the performance of the MeanFlow baseline with 2.5x shorter training time, or with a smaller DiT-L backbone.
Authors: Szymon Bobek, {\L}ukasz Ba{\l}ec, Grzegorz J. Nalepa
Abstract: Counterfactual explanations improve the actionable interpretability of machine learning models by identifying minimal changes required to achieve a desired outcome. However, existing methods often neglect dependencies among features, which can lead to unrealistic or impractical modifications. This limitation reduces the usefulness of counterfactual explanations in real-world decision-support systems. Motivated by applications in cybersecurity for email marketing, we propose DANCE (Diverse, Actionable, and Knowledge-Constrained Explanations), a method for generating counterfactuals that incorporate feature dependencies and domain constraints. DANCE models relationships between features using linear and probabilistic structures that can be learned from data or specified by experts. These dependencies are enforced during the search process to improve plausibility and feasibility. The method jointly optimizes plausibility, diversity, proximity, and sparsity within a unified objective. We evaluate DANCE on 140 datasets from OpenML and demonstrate that it achieves competitive or superior performance compared to existing approaches across multiple evaluation criteria. Additionally, we validate the method in a real-world industrial setting in collaboration with an email marketing platform, showing that it produces domain-consistent and actionable recommendations.
Authors: Edward Y. Chang
Abstract: In this paper we argue that influential critiques dismissing Large Language Models (LLMs) as a dead end for AGI misidentify the bottleneck: they confuse the ocean with the net. Pattern repositories are the necessary System-1 substrate; the missing component is a System-2 coordination layer that recruits relevant patterns, verifies their use, preserves state, and governs convergence. We separate two uses of control that are often conflated. Semantic anchoring, formalized by UCCT (Unified Contextual Control Theory), binds labels and task intent to learned pattern regions through a phase transition governed by effective support (rho_d), representational mismatch (d_r), and an adaptive anchoring budget (gamma log k). Trace-answer verification, implemented by Recursive Causal Audit (RCA), tests whether a final causal judgment is warranted by its own reasoning trace under pressure. We translate these ideas into MACI, a multi-agent coordination stack that integrates diversity and control via baiting (PID-modulated debate), filtering (Socratic and causal audit), and persistence (transactional memory). Empirical validation on causal judgment and the sycophancy-paranoia trade-off demonstrates that static prompting fails where adaptive control succeeds. By reframing common objections as testable coordination failures, we argue that the path to AGI runs through LLMs, not around them. Capability is not coordination.
Authors: Gengmo Zhou, Feng Yu, Wenda Wang, Zhifeng Gao, Guolin Ke, Zhewei Wei, Zhen Wang
Abstract: Identifying enzymes that catalyze target biochemical reactions is a key step in computational enzyme discovery and biocatalyst design. Recent representation-learning methods formulate this problem as enzyme--reaction matching, where paired enzymes and reactions are embedded into a shared space. However, most existing approaches primarily rely on pairwise enzyme--reaction supervision and make limited use of the relationships within reaction sets or enzyme families. This work introduces a multi-alignment contrastive learning framework for biochemical retrieval. The framework jointly models cross-domain compatibility between enzymes and reactions and within-domain relationships induced by functional annotations. In addition, a Gromov--Wasserstein-inspired regularization objective encourages geometric consistency between the learned enzyme and reaction representation spaces. By combining pairwise catalytic supervision with higher-order relational alignment, the model captures both direct enzyme--reaction associations and broader functional organization. We evaluate the approach on enzyme virtual screening and bidirectional enzyme--reaction retrieval tasks. Experiments on EnzymeMap show improved early-recognition performance under BEDROC and enrichment-factor metrics compared with strong contrastive baselines. On ReactZyme, the method achieves consistent gains across time-based, enzyme-similarity, and reaction-similarity splits, demonstrating robustness to unseen enzymes and unseen reactions. Ablation studies further indicate that within-domain alignment, functional supervision, and the geometric regularization term each contribute to the observed improvements. These results suggest that modeling multiple forms of alignment can improve contrastive retrieval models for enzyme discovery, reaction annotation, and related computational biology applications.
Authors: Lei Chen, Zijian Zhu, Xiaoran Zhuang, Tianyuan Qi, Yuxuan Feng, Xiaohui Zhong, Hao Li
Abstract: Severe convection produces localized hazards that often require warnings before radar echoes fully reveal storm development. Convective initiation and the maintenance of intense convection remain challenging for radar-only nowcasting because pre-convective signals may be absent from recent radar observations and strong echoes often decay rapidly in forecasts. Here we present FuXi-Nowcast, an environment-conditioned deep learning system that combines high-resolution observations with three-dimensional atmospheric forecasts to predict composite reflectivity, precipitation, wind gusts, and surface variables up to 12 h ahead. In April--July 2024 evaluations over East China, FuXi-Nowcast outperforms operational numerical, persistence and extrapolation baselines for reflectivity and precipitation. Case studies, diagnostics, and ablation experiments suggest that atmospheric moisture information and explicit preservation of strong convective signals contribute to forecasts of convective initiation and maintenance. These results show that environmental conditioning can mitigate important failure modes of radar-only nowcasting for high-impact convective weather.
Authors: Tomohiko Mizutani
Abstract: Endmember extraction from hyperspectral images aims to identify the spectral signatures of materials present in a scene. Recent studies have shown that self-dictionary methods can achieve high extraction accuracy; however, their high computational cost limits their applicability to large-scale hyperspectral images. Although several approaches have been proposed to mitigate this issue, it remains a major challenge. Motivated by this situation, this paper pursues a data reduction approach. Assuming that a hyperspectral image follows the linear mixing model with the pure-pixel assumption, we develop a data reduction technique to remove pixels corresponding to mixtures of multiple endmember signatures. We analyze the theoretical properties of this reduction step and show that it preserves pixels that lie close to the endmembers. Building on this result, we propose a data-reduced self-dictionary method that integrates the data reduction with a self-dictionary method based on a linear programming formulation. Numerical experiments demonstrate that the proposed method can substantially reduce the computational time of the original self-dictionary method without sacrificing endmember extraction accuracy.
Authors: Mengqi He, Xinyu Tian, Xin Shen, Jinhong Ni, Shu Zou, Zhaoyuan Yang, Jing Zhang
Abstract: Vision-language models (VLMs) achieve remarkable performance but remain vulnerable to adversarial attacks. Entropy, as a measure of model uncertainty, is highly correlated with VLM reliability. While prior entropy-based attacks maximize uncertainty at all decoding steps, implicitly assuming that every token equally contributes to model instability, we reveal that a small fraction (around 20%) of high-entropy tokens, in the evaluated representative open-source VLMs with diverse architectures, concentrates a disproportionate share of adversarial influence during autoregressive generation. We demonstrate that concentrating adversarial perturbations on these high-entropy positions achieves comparable semantic degradation to global methods while optimizing fewer decoding positions. Additionally, across multiple representative VLMs, such attacks induce not only semantic drift but also a substantial unsafe subset (20-31%) under the current pipeline. Remarkably, since such vulnerable high-entropy tokens recur across architecturally diverse VLMs, attacks focused on them exhibit non-trivial transferability. Motivated by these findings, we design a simple Entropy-Guided Attack (EGA) that operationalizes sparse high-entropy targeting and extends it with a reusable token bank, yielding competitive attack success rates (93-95%) with a considerable harmful rate (30.2-38.6%) on the three representative open-source VLMs.
Authors: Shinto Eguchi
Abstract: Flow Matching (FM) has emerged as a powerful paradigm for continuous normalizing flows, yet standard FM implicitly performs an unweighted $L^2$ regression over the entire ambient space. In high dimensions, this leads to a fundamental inefficiency: the vast majority of the integration domain consists of low-density ``void'' regions where the target velocity fields are often chaotic or ill-defined. In this paper, we propose {$\gamma$-Flow Matching ($\gamma$-FM)}, a density-weighted variant that aligns the regression geometry with the underlying probability flow. While density weighting is desirable, naive implementations would require evaluating the intractable target density. We circumvent this by introducing a Dynamic Density-Weighting strategy that estimates the \emph{target} density directly from training particles. This approach allows us to dynamically downweight the regression loss in void regions without compromising the simulation-free nature of FM. Theoretically, we establish that $\gamma$-FM minimizes the transport cost on a statistical manifold endowed with the $\gamma$-Stein metric. Spectral analysis further suggests that this geometry induces an implicit Sobolev regularization, effectively damping high-frequency oscillations in void regions. Empirically, $\gamma$-FM significantly improves vector field smoothness and sampling efficiency on high-dimensional latent datasets, while demonstrating intrinsic robustness to outliers.
Authors: Ruixuan Huang, Qingyue Wang, Hantao Huang, Yudong Gao, Dong Chen, Shuai Wang, Wei Wang
Abstract: Mixture-of-Experts architectures have become the standard for scaling large language models due to their superior parameter efficiency. To accommodate the growing number of experts in practice, modern inference systems commonly adopt expert parallelism to distribute experts across devices. However, the absence of explicit load balancing constraints during inference allows adversarial inputs to trigger severe routing concentration. We demonstrate that out-of-distribution prompts can manipulate the routing strategy such that all tokens are consistently routed to the same set of top-$k$ experts, which creates computational bottlenecks on certain devices while forcing others to idle. This converts an efficiency mechanism into a denial-of-service attack vector, leading to violations of service-level agreements for time to first token. We propose RepetitionCurse, a low-cost black-box strategy to exploit this vulnerability. By identifying a universal flaw in MoE router behavior, RepetitionCurse constructs adversarial prompts using simple repetitive token patterns in a model-agnostic manner. On widely deployed MoE models like Mixtral-8x7B, our method increases end-to-end inference latency by 3.063x, degrading service availability significantly.
Authors: Anees Ur Rehman Hashmi, Numan Saeed, Christoph Lippert
Abstract: Multimodal medical large language models have shown substantial progress in chest X-ray interpretation but continue to face challenges in spatial reasoning and anatomical understanding. Although existing grounding techniques improve overall performance, they often fail to establish a true anatomical correspondence, resulting in incorrect anatomical understanding in the medical domain. To address this gap, we introduce AnatomiX, a multitask multimodal large language model for anatomically grounded chest X-ray interpretation. Inspired by the radiological workflow, AnatomiX adopts a two stage approach: first, it identifies anatomical structures and extracts their features, and then leverages a large language model to perform diverse downstream tasks such as phrase grounding, report generation, visual question answering, and image understanding. Extensive experiments across multiple benchmarks demonstrate that AnatomiX achieves superior anatomical reasoning and delivers over 25% improvement in performance on anatomy grounding, phrase grounding, grounded diagnosis and grounded captioning tasks compared to existing approaches. Code and pretrained model are available at https://aneesurhashmi.github.io/anatomix
Authors: Luigi Favaro, Andrea Giammanco, Claudius Krause
Abstract: The high-dimensional complex nature of detectors makes fast calorimeter simulations a prime application for modern generative machine learning. Vision transformers (ViTs) can emulate the Geant4 response with unmatched accuracy and are not limited to regular geometries. Starting from the CaloDREAM architecture, we demonstrate the robustness and scalability of ViTs on regular and irregular geometries, and multiple detectors. Our results show that ViTs generate electromagnetic and hadronic showers with minimal deviations from Geant4 in multiple evaluation metrics, while maintaining the generation time in the $\mathcal{O}(10-100)$ ms on a single GPU. Furthermore, we show that pretraining on a large dataset and fine-tuning on the target geometry leads to reduced training costs and higher data efficiency, or altogether improves the fidelity of generated showers.
Authors: Huan Li, Yiming Dong, Zhouchen Lin
Abstract: This paper studies the AdamW-style Shampoo optimizer, an effective implementation of classical Shampoo that notably won the external tuning track of the AlgoPerf neural network training algorithm competition. Our analysis unifies one-sided and two-sided preconditioning and establishes the convergence rate $\frac{1}{K}\sum_{k=1}^K E\left[\|\nabla f(X_k)\|_*\right]\leq O(\frac{\sqrt{m+n}C}{K^{1/4}})$ measured by nuclear norm, where $K$ represents the iteration number, $(m,n)$ denotes the size of matrix parameters, and $C$ matches the constant in the optimal convergence rate of SGD. Theoretically, we have $\|\nabla f(X)\|_F\leq \|\nabla f(X)\|_*\leq \sqrt{m+n}\|\nabla f(X)\|_F$, supporting that our convergence rate can be considered to be analogous to the optimal $\frac{1}{K}\sum_{k=1}^KE\left[\|\nabla f(X_k)\|_F\right]\leq O(\frac{C}{K^{1/4}})$ convergence rate of SGD in the ideal case of $\|\nabla f(X)\|_*= \Theta(\sqrt{m+n})\|\nabla f(X)\|_F$ and balanced $m$ and $n$.
Authors: Luke W. Yerbury, Ricardo J. G. B. Campello, G. C. Livingston Jr, Mark Goldsworthy, Lachlan O'Neil
Abstract: With grid operators confronting rising uncertainty from renewable integration and a broader push toward electrification, Demand-Side Management (DSM) -- particularly Demand Response (DR) -- has attracted significant attention as a cost-effective mechanism for balancing modern electricity systems. Unprecedented volumes of consumption data from a continuing global deployment of smart meters enable consumer segmentation based on real usage behaviours, promising to inform the design of more effective DSM and DR programs. However, existing clustering-based segmentation methods insufficiently reflect the behavioural diversity of consumers, often relying on rigid temporal alignment, and faltering in the presence of anomalies, missing data, or large-scale deployments. To address these challenges, we propose a novel two-stage clustering framework -- Clustered Representations Optimising Consumer Segmentation (CROCS). In the first stage, each consumer's daily load profiles are clustered independently to form a Representative Load Set (RLS), providing a compact summary of their typical diurnal consumption behaviours. In the second stage, consumers are clustered using the Weighted Sum of Minimum Distances (WSMD), a novel set-to-set measure that compares RLSs by accounting for both the prevalence and similarity of those behaviours. Finally, community detection on the WSMD-induced graph reveals higher-order prototypes that embody the shared diurnal behaviours defining consumer groups, enhancing the interpretability of the resulting clusters. Extensive experiments on both synthetic and real Australian smart meter datasets demonstrate that CROCS captures intra-consumer variability, uncovers both synchronous and asynchronous behavioural similarities, and remains robust to anomalies and missing data, while scaling efficiently through natural parallelisation. These results...
Authors: Yiyang Lu, Jinwen He, Yue Zhao, Kai Chen, Ruigang Liang, Cheng Hong, Yingjun Zhang
Abstract: Large Language Models (LLMs) are widely integrated into interactive systems such as dialogue agents and task-oriented assistants. This growing ecosystem also raises supply-chain risks, where adversaries can distribute poisoned models that degrade downstream reliability and user trust. Existing backdoor attacks and defenses are largely prompt-centric, focusing on user-visible triggers while overlooking structural signals in multi-turn conversations. We propose Turn-based Structural Trigger (TST), a backdoor attack that activates from dialogue structure, using the turn index as the trigger and remaining independent of user inputs. This creates a structure-conditioned reliability risk: a backdoored model can pass prompt-centric checks and standard utility evaluations, yet execute attacker-specified behaviors at selected dialogue positions without any trigger in the user input. Across four open-source LLM families, TST achieves a 99.52% average ASR while largely preserving non-triggered utility, and remains effective across unseen dialogue datasets and representative defenses. These results reveal dialogue structure as an overlooked attack surface and motivate structure-aware multi-turn auditing beyond prompt inspection.
Authors: Saar Cohen
Abstract: Clustering is a fundamental problem, aiming to partition a set of elements, like agents or data points, into clusters such that elements in the same cluster are closer to each other than to those in other clusters. In this paper, we present a new framework for studying online non-centroid clustering with delays, where elements, that arrive one at a time as points in a finite metric space, should be assigned to clusters, but assignments need not be immediate. Specifically, upon arrival, each point's location is revealed, and an online algorithm has to irrevocably assign it to an existing cluster or create a new one containing, at this moment, only this point. However, we allow decisions to be postponed at a delay cost, instead of following the more common assumption of immediate decisions upon arrival. This poses a critical challenge: the goal is to minimize both the total distance costs between points in each cluster and the overall delay costs incurred by postponing assignments. In the classic worst-case arrival model, where points arrive in an arbitrary order, no algorithm has a competitive ratio better than sublogarithmic in the number of points. To overcome this strong impossibility, we focus on a stochastic arrival model, where points' locations are drawn independently across time from an unknown and fixed probability distribution over the finite metric space. We offer hope for beyond worst-case adversaries: we devise an algorithm that is constant competitive in the sense that, as the number of points grows, the ratio between the expected overall costs of the output clustering and an optimal offline clustering is bounded by a constant.
Authors: Jyun-Ping Kao, Jiaxin Yang, C. -C. Jay Kuo, Jonghye Woo
Abstract: Echocardiography is a cornerstone for managing heart failure (HF), with Left Ventricular Ejection Fraction (LVEF) being a critical metric for guiding therapy. However, manual LVEF assessment suffers from high inter-observer variability, while existing Deep Learning (DL) models are often computationally intensive and data-hungry "black boxes" that impede clinical trust and adoption. Here, we propose a backpropagation-free multi-task Green Learning (MTGL) framework that performs simultaneous Left Ventricle (LV) segmentation and LVEF classification. Our framework integrates an unsupervised VoxelHop encoder for hierarchical spatio-temporal feature extraction with a multi-level regression decoder and an XG-Boost classifier. On the EchoNet-Dynamic dataset, our MTGL model achieves state-of-the-art classification and segmentation performance, attaining a classification accuracy of 94.3% and a Dice Similarity Coefficient (DSC) of 0.912, significantly outperforming several advanced 3D DL models. Crucially, our model achieves this with over an order of magnitude fewer parameters, demonstrating exceptional computational efficiency. This work demonstrates that the GL paradigm can deliver highly accurate, efficient, and interpretable solutions for complex medical image analysis, paving the way for more sustainable and trustworthy artificial intelligence in clinical practice.
Authors: Zihan Su, Hongyang Wei, Kangrui Cen, Yong Wang, Guanhua Chen, Chun Yuan, Xiangxiang Chu
Abstract: Unified Multimodal Models (UMMs) integrate both visual understanding and generation within a single framework. Their ultimate aspiration is to create a cycle where understanding and generation mutually reinforce each other. While recent post-training methods have successfully leveraged understanding to enhance generation, the reverse direction of utilizing generation to improve understanding remains largely unexplored. In this work, we propose UniMRG (Unified Multi-Representation Generation), a simple yet effective architecture-agnostic post-training method. UniMRG enhances the understanding capabilities of UMMs by incorporating auxiliary generation tasks. Specifically, we train UMMs to generate multiple intrinsic representations of input images, namely pixel (reconstruction), depth (geometry), and segmentation (structure), alongside standard visual understanding objectives. By synthesizing these diverse representations, UMMs capture complementary information regarding appearance, spatial relations, and structural layout. Consequently, UMMs develop a deeper and more comprehensive understanding of visual inputs. Extensive experiments across diverse UMM architectures demonstrate that our method notably enhances fine-grained perception, reduces hallucinations, and improves spatial understanding, while simultaneously boosting generation capabilities.
Authors: Zixuan Xia, Hao Wang, Pengcheng Weng, Yanyu Qian, Yangxin Xu, William Dan, Fei Wang
Abstract: Multimodal fusion is often treated as an optimization-balancing problem, where training signals are adjusted to prevent one modality from dominating the others. However, balanced optimization does not fully determine the geometry of intermediate representations. Supervised multimodal models may still learn low-diversity modality-specific embeddings or allow paired cross-modal observations to drift excessively apart, weakening both unimodal robustness and multimodal fusion. We introduce \regName, a lightweight plug-and-play geometric regularization framework for multimodal representation learning. Rather than enforcing rigid cross-modal alignment, \regName follows a bounded-agreement principle: preserve modality-specific diversity while softly constraining only the portion of paired cross-modal drift that exceeds an admissible agreement band. Operationally, \regName combines a dispersion term that mitigates spectral concentration with an agreement-band anchoring term that controls excessive paired drift, requiring no architectural modification or inference-time overhead. Experiments across audio-visual, image-text, and RF-based benchmarks show that \regName consistently improves multimodal performance and often strengthens unimodal representations. These results suggest that explicitly regulating representation geometry is an effective complement to optimization balancing, and provide evidence that geometry-aware regularization can improve multimodal learning across diverse architectures and domains.
Authors: Weiqin Yang, Bohao Wang, Zhenxiang Xu, Jiawei Chen, Shengjia Zhang, Jingbang Chen, Canghong Jin, Can Wang
Abstract: Recent years have seen a rapid surge in research leveraging Large Language Models (LLMs) for recommendation. These methods typically employ supervised fine-tuning (SFT) to adapt LLMs to recommendation scenarios, and utilize beam search during inference to efficiently retrieve $B$ top-ranked recommended items. However, we identify a critical training-inference inconsistency: while SFT optimizes the overall probability of positive items, it does not guarantee that such items will be retrieved by beam search even if they possess high overall probabilities. Due to the greedy pruning mechanism, beam search can prematurely discard a positive item once its prefix probability is insufficient. To address this inconsistency, we propose BEAR (Beam-SEarch-Aware Regularization), a novel fine-tuning objective that explicitly accounts for beam search behavior during training. Rather than directly simulating beam search for each instance during training, which is computationally prohibitive, BEAR enforces a relaxed necessary condition: each token in a positive item must rank within the top-$B$ candidate tokens at each decoding step. This objective effectively mitigates the risk of incorrect pruning while incurring negligible computational overhead compared to standard SFT. Extensive experiments across four real-world datasets demonstrate that BEAR significantly outperforms strong baselines. Code is available at https://github.com/Tiny-Snow/BEAR-SIGIR-2026 .
Authors: Chunming He, Rihan Zhang, Fengyang Xiao, Dingming Zhang, Zhiwen Cao, Sina Farsiu
Abstract: Biological learning proceeds from easy to difficult tasks, gradually reinforcing perception and robustness. Inspired by this principle, we address Context-Entangled Content Segmentation (CECS), a challenging setting where objects share intrinsic visual patterns with their surroundings, as in camouflaged object detection. Conventional segmentation networks predominantly rely on architectural enhancements but often ignore the learning dynamics that govern robustness under entangled data distributions. We introduce CurriSeg, a dual-phase learning framework that unifies curriculum and anti-curriculum principles to improve representation reliability. In the Curriculum Selection phase, CurriSeg dynamically selects training data based on the temporal statistics of sample losses, distinguishing hard-but-informative samples from noisy or ambiguous ones, thus enabling stable capability enhancement. In the Anti-Curriculum Promotion phase, we design Spectral-Blindness Fine-Tuning, which suppresses high-frequency components to enforce dependence on low-frequency structural and contextual cues and thus strengthens generalization. Extensive experiments demonstrate that CurriSeg achieves consistent improvements across diverse CECS benchmarks without adding parameters or increasing total training time, offering a principled view of how progression and challenge interplay to foster robust and context-aware segmentation. Code will be released.
Authors: Haozhen Zhang, Quanyu Long, Jianzhu Bao, Tao Feng, Weizhi Zhang, Haodong Yue, Wenya Wang
Abstract: Most Large Language Model (LLM) agent memory systems rely on a small set of static, hand-designed operations for extracting memory. These fixed procedures hard-code human priors about what to store and how to revise memory, making them rigid under diverse interaction patterns and inefficient on long histories. To this end, we present \textbf{MemSkill}, which reframes these operations as learnable and evolvable memory skills, structured and reusable routines for extracting, consolidating, and pruning information from interaction traces. Inspired by the design philosophy of agent skills, MemSkill employs a \emph{controller} that learns to select a small set of relevant skills, paired with an LLM-based \emph{executor} that produces skill-guided memories. Beyond learning skill selection, MemSkill introduces a \emph{designer} that periodically reviews hard cases where selected skills yield incorrect or incomplete memories, and evolves the skill set by proposing refinements and new skills. Together, MemSkill forms a closed-loop procedure that improves both the skill-selection policy and the skill set itself. Experiments on LoCoMo, LongMemEval, HotpotQA, and ALFWorld demonstrate that MemSkill improves task performance over strong baselines and generalizes well across settings. Further analyses shed light on how skills evolve, offering insights toward more adaptive, self-evolving memory management for LLM agents.
Authors: Peter Chen, Xiaopeng Li, Xi Chen, Tianyi Lin
Abstract: Direct alignment methods are increasingly used to align large language models (LLMs) with human preferences. However, many real-world alignment problems involve multiple conflicting objectives, where naive aggregation of preferences can lead to unstable training and poor trade-offs. In particular, weighted loss methods may fail to identify update directions that simultaneously improve all objectives, and existing multi-objective approaches often rely on explicit reward models, introducing additional complexity and distorting user-specified preferences. The contributions of this paper are two-fold. First, we propose a Reward-free Alignment framework for Conflicted Objectives (RACO) that directly leverages pairwise preference data and resolves gradient conflicts via a novel clipped variant of conflict-averse gradient descent. We provide convergence guarantees to Pareto-critical points that respect user-specified objective weights, and further show that clipping can strictly improve convergence rate in the two-objective setting. Second, we improve our method using some heuristics and conduct experiments to demonstrate the compatibility of the proposed framework for LLM alignment. Both qualitative and quantitative evaluations on multi-objective summarization and safety alignment tasks across multiple LLM families (Qwen 3, Llama 3, Gemma 3) show that our method consistently achieves better Pareto trade-offs compared to existing multi-objective alignment baselines.
Authors: Ran Li, Zeyuan Liu, Yinghao Chen, Bingxiang He, Jiarui Yuan, Zixuan Fu, Weize Chen, Jinyi Hu, Chen Qian, Zhiyuan Liu, Maosong Sun
Abstract: Large Language Models (LLMs) have demonstrated strong potential in complex reasoning, yet their progress remains fundamentally constrained by reliance on massive high-quality human-curated tasks and labels, either through supervised fine-tuning (SFT) or reinforcement learning (RL) on reasoning-specific data. This dependence renders supervision-heavy training paradigms increasingly unsustainable, with signs of diminishing scalability already evident in practice. To overcome this limitation, we introduce CPM\"obius (CPMobius), a collaborative Coach-Player paradigm for data-free reinforcement learning of reasoning models. Unlike traditional adversarial self-play, CPM\"obius, inspired by real world human sports collaboration and multi-agent collaboration, treats the Coach and Player as independent but cooperative roles. The Coach proposes instructions targeted at the Player's capability and receives rewards based on changes in the Player's performance, while the Player is rewarded for solving the increasingly instructive tasks generated by the Coach. This cooperative optimization loop is designed to directly enhance the Player's mathematical reasoning ability. Remarkably, CPM\"obius achieves substantial improvement without relying on any external training data, outperforming existing unsupervised approaches. For example, on Qwen2.5-Math-7B-Instruct, our method improves accuracy by an overall average of +4.9 and an out-of-distribution average of +5.4, exceeding RENT by +1.5 on overall accuracy and R-zero by +4.2 on OOD accuracy. Our codebase has been released at https://github.com/thunlp/CPMobius.
Authors: Ariel Fogel, Omer Hofman, Eilon Cohen, Roman Vainshtein
Abstract: Open-weight language models are increasingly used in production settings, raising new security challenges. One prominent threat is backdoor attacks, in which adversaries embed hidden behaviors that activate under specific conditions. Previous work has assumed that adversaries have access to training pipelines or deployment infrastructure. We propose a novel attack surface requiring neither: the "chat template". Chat templates are executable programs invoked at every inference call, often implemented in Jinja2, that occupy a privileged position between user input and model processing. We show that an adversary who distributes a model with a maliciously modified template can implant an inference-time backdoor without modifying model weights, poisoning training data, or controlling runtime infrastructure. We evaluate this attack across three deployment tiers. At the LLM level, triggered backdoors reduce factual accuracy from 90% to 15% on average and induce attacker-controlled URL emission with success rates exceeding 80%, while benign inputs show no measurable degradation; these results hold across eighteen models. At the agent level, template backdoors hijack tool-use across two benchmarks spanning 3,868 episodes, bypassing every tested injection defense offered by the benchmarks while remaining fully dormant absent the trigger. At the multi-agent system level, we demonstrate how a single poisoned artifact compromises a real-world agentic deployment and propagates supply-chain code poisoning downstream. The poisoned artifacts evade all security scans on the largest open model distribution platform; and because the payload is rendered by the template before user input is processed, it is architecturally unreachable by input-level defenses such as prompt injection guardrails. These results establish chat templates as a reliable and undefended attack in the open-weight AI supply chain.
Authors: Manuel Escudero, Mohamadreza Zolfagharinejad, Sjoerd van den Belt, Nikolaos Alachiotis, Wilfred G. van der Wiel
Abstract: Kolmogorov-Arnold Networks (KANs) shift neural computation from linear layers to learnable nonlinear edge functions, but implementing these nonlinearities efficiently in hardware remains an open challenge. Here we introduce a physical analogue KAN architecture in which edge functions are realized in materia using reconfigurable nonlinear-processing units (RNPUs): multi-terminal nanoscale silicon devices whose input-output characteristics are tuned via control voltages. By combining multiple RNPUs into an edge processor and assembling these blocks into a reconfigurable analogue KAN (aKAN) architecture with integrated mixed-signal interfacing, we establish a realistic system-level hardware implementation that enables compact KAN-style regression and classification with programmable nonlinear transformations. Using experimentally calibrated RNPU models and hardware measurements, we demonstrate accurate function approximation across increasing task complexity while requiring fewer or comparable trainable parameters than multilayer perceptrons (MLPs). System-level estimates indicate an energy per inference of $\sim$250 pJ and an end-to-end inference latency of $\sim$600 ns for a representative workload, corresponding to a $\sim$10$^{2}$-10$^{3}\times$ reduction in energy accompanied by a $\sim$10$\times$ reduction in area compared to a digital fixed-point MLP at similar approximation error. These results establish RNPUs as scalable, hardware-native nonlinear computing primitives and identify analogue KAN architectures as a realistic silicon-based pathway toward energy-, latency-, and footprint-efficient analogue neural-network hardware, particularly for edge inference.
Authors: Zhaoyang Wang, Canwen Xu, Boyi Liu, Yite Wang, Siwei Han, Zhewei Yao, Huaxiu Yao, Yuxiong He
Abstract: Recent advances in large language model (LLM) have empowered autonomous agents to perform multi-turn interactions with tools and environments. However, scaling such agent training is limited by the lack of diverse and reliable environments. In this paper, we propose Agent World Model (AWM), a fully synthetic environment generation pipeline. Using this pipeline, we scale to 1,000 environments covering everyday scenarios, in which agents can interact with rich toolsets and obtain high-quality observations. Notably, these environments are code-driven and backed by databases, providing more reliable and consistent state transitions than environments simulated by LLMs. Moreover, they enable more efficient agent interaction compared with collecting trajectories from realistic environments. To demonstrate the effectiveness of this resource, we perform large-scale reinforcement learning for multi-turn tool-use agents. Thanks to the fully executable environments and accessible database states, we can also design reliable reward functions. Experiments on three benchmarks show that training exclusively in synthetic environments, rather than benchmark-specific ones, yields strong out-of-distribution generalization. The code is available at https://github.com/Snowflake-Labs/agent-world-model.
Authors: Sho Sonoda, Shunta Akiyama, Yuya Uezato
Abstract: Agentic theorem provers combine a reasoning model, retrieval, search, and a proof assistant verifier, yet it remains unclear which components actually improve finite-budget proof success and why they help on real mathematical workloads. We study this question through statistical provability: the probability of reaching a verified proof within a budget on a specified stream of theorem instances. We model formal proof search as a finite-horizon reachability MDP with deterministic verifier dynamics, and show that under a faithful state abstraction the optimal success probability coincides with ordinary syntactic provability. We then analyze a simple but practically important pipeline: depth-wise offline action-value regression followed by greedy test-time proving. Our main theorem bounds the provability gap between the learned prover and the optimal prover by an occupancy-weighted sum of uniform action-value errors; in the common uniform-error reading, the leading complexity multiplier is the learned prover's average truncated proof length. The error decomposes into approximation error, geometric coverage of the training distribution, and Monte Carlo label noise, and improves to a fast rate under an action-gap margin condition. The result gives a component-sensitive account of why verifier feedback, retrieval, representation geometry, and proof-shortening mechanisms help on biased theorem workloads, without contradicting classical worst-case hardness.
Authors: Keane Ong, Sabri Boughorbel, Luwei Xiao, Chanakya Ekbote, Wei Dai, Ao Qu, Jingyao Wu, Rui Mao, Ehsan Hoque, Erik Cambria, Gianmarco Mengaldo, Paul Pu Liang
Abstract: Socially intelligent AI systems must entail reasoning across diverse human behavioral tasks, and generalization to new contexts. However, AI has yet to achieve this level of social intelligence. Existing models remain fundamentally constrained by the imbalanced learning dynamics induced by training on behavioral data. Namely, behavioral data is inherently heterogeneous, comprising diverse modalities and prediction targets that often produce uneven training signals across samples. To address this, we develop Omnisapiens-7B 2.0, a foundation model for social behavior processing that explicitly addresses learning from heterogeneous behavioral data. This is enabled through Heterogeneity-Aware Relative Policy Optimization, a novel reasoning RL method that explicitly rebalances learning signals across samples. The core insight is to approximate contribution signals to the policy update, using them to inform geometrically centered and intertially smoothed advantage modulation. Results demonstrate that Omnisapiens-7B 2.0 achieves the best and most consistent performance across 10 diverse behavioral tasks, while also attaining the best performance on all five held-out zero-shot generalization benchmarks, with gains of up to +12.02% and +9.37% respectively. Furthermore, Omnisapiens-7B 2.0 demonstrates more consistent and interpretable reasoning traces, supporting reliable real-world behavioral applications. Our model and codes can be found at https://github.com/MIT-MI/human_behavior_atlas.
Authors: Zeyu Zhang, Ryan Chen, Bradly C. Stadie
Abstract: Backtesting LLMs on resolved events assumes models reason only from pre-cutoff knowledge, yet pretrained models inevitably leak post-cutoff knowledge. We introduce a claim-level evaluation framework that decomposes prediction rationales into atomic claims and applies Shapley values to quantify each claim's decision impact, yielding \textbf{Shapley-DCLR} (\textbf{Shapley}-weighted \textbf{D}ecision-\textbf{C}ritical \textbf{L}eakage \textbf{R}ate) -- an interpretable metric measuring what fraction of decision-driving reasoning is contaminated. We further propose \textbf{TimeSPEC} (\textbf{Time}-\textbf{S}upervised \textbf{P}rediction with \textbf{E}xtracted \textbf{C}laims), an inference-time architecture that interleaves temporally-filtered retrieval with claim-level supervision, producing predictions grounded entirely in pre-cutoff evidence. Across three LLMs, the ablation experiments confirm retrieval and supervision are jointly necessary; and a three-task probe further illstrates that the performance cost of temporal enforcement scales with each task's reliance on post-cutoff information.
Authors: Beepul Bharti, Ambar Pal, Jeremias Sulam
Abstract: Across many risk-sensitive areas, it is critical to continuously audit machine learning systems as we receive more data to quickly determine if they are performing as designed. This auditing task can be modeled as a sequential hypothesis testing problem with $k$ data streams and a global null hypothesis that asserts the system operates as intended across all $k$ streams. Under the alternative, the standard global sequential test, which uses a Bonferroni correction, has an expected stopping time of $O\left(\ln \frac{k}{\alpha}\right)$ for large $k$ and significance level $\alpha$. In this work, we demonstrate that efficient sequential tests, relying on merging martingales via averaging and products rules, provide improved stopping times, and thus more powerful tests against the null. Using these results, we show that a balanced test can match the Bonferroni rate of $O\left(\ln \frac{k}{\alpha}\right)$ in the sparse regime (just a few non-null streams) while achieving $O\left(\frac{1}{k}\ln \frac{1}{\alpha}\right)$ under dense alternatives (many non-null steams). We validate our theory through experiments on both synthetic and real-world data.
Authors: Robert Joseph George, Jennifer Cruden, Will Adkisson, Xiangru Zhong, Huan Zhang, Anima Anandkumar
Abstract: Neural networks are increasingly deployed in scientific, safety critical, and mission critical pipelines, yet verification and analysis are often performed outside the programming environment that defines and runs the model. This creates a semantic gap between the executed network and the analyzed artifact: guarantees can depend on implicit conventions about operator semantics, tensor layouts, preprocessing, floating-point behavior, graph transformations, accelerated kernels, and external certificates. We present TorchLean, a unified framework for formalizing, executing, and verifying neural networks in Lean 4. TorchLean treats learned models as executable programs and mathematical objects with a shared semantics for computation, verification, and theorem proving. The framework provides a PyTorch style API for typed tensors, layers, objectives, optimizers, automatic differentiation, and graph programs, with eager and compiled execution paths that lower to a common computation-graph representation. TorchLean supports exact and finite-precision tensor semantics, verified reverse-mode differentiation, interval and affine bound propagation, CROWN/LiRPA style certificate checking, import/export workflows, and CUDA-backed execution through explicit FFI boundaries. It also includes semantic layers for attention and FlashAttention, state-space sequence models, diffusion and sampling processes, probability kernels, reinforcement-learning objectives and Markov decision processes, and self-supervised objectives such as masked autoencoding, JEPA-style predictive views, and variance/correlation-based anti-collapse losses. Together, these components provide a semantic foundation for verified machine learning, where executable neural network artifacts, verification procedures, runtime boundaries, and mathematical claims can be stated and related inside one theorem-proving environment.
Authors: Yujie Zhao, Boqin Yuan, Junbo Huang, Haocheng Yuan, Zhongming Yu, Haozhou Xu, Lanxiang Hu, Abhilash Shankarampeta, Zimeng Huang, Wentao Ni, Yuandong Tian, Jishen Zhao
Abstract: Large Language Models (LLMs) are deployed as autonomous agents in increasingly complex applications, where enabling long-horizon memory is critical for achieving strong performance. However, a significant gap exists between applications and evaluation standards for agent memory: existing benchmarks primarily focus on dialogue-centric settings. In reality, agent memory consists of a continuous stream of agent-environment interactions that are primarily composed of machine-generated representations. To bridge this gap, we introduce AMA-Bench (Agent Memory with Any Length), a benchmark designed to evaluate long-horizon memory for LLMs in real agentic applications. It features two key components: (1) a set of real-world agentic trajectories across representative agentic applications, paired with expert-curated QA, and (2) a set of synthetic agentic trajectories of arbitrary horizons paired with rule-based QA. Our comprehensive study shows that existing memory systems underperform on AMA-Bench primarily because they lack causality and objective information, and are constrained by the lossy nature of similarity-based retrieval employed by many memory systems. To address these limitations, we propose AMA-Agent, an effective memory system featuring a causality graph and tool-augmented retrieval. Our results demonstrate that AMA-Agent achieves 57.22% average accuracy on AMA-Bench, surpassing the strongest baselines by 11.16%. Resources are available at our project website: https://ama-bench.github.io/
Authors: David Condrey
Abstract: The proliferation of AI-generated text has intensified the need for reliable authorship verification, yet current output-based methods are increasingly unreliable. We observe that the ordinary typing interface captures rich cognitive signatures, measurable patterns in keystroke timing that reflect the planning, translating, and revising stages of genuine composition. Drawing on large-scale keystroke datasets comprising over 136 million events, we define the Cognitive Load Correlation (CLC) and show it distinguishes genuine composition from mechanical transcription. We present a non-intrusive verification framework that operates within existing writing interfaces, collecting only timing metadata to preserve privacy. Our analytical evaluation estimates 85 to 95 percent discrimination accuracy under stated assumptions, while limiting biometric leakage via evidence quantization. We analyze the adversarial robustness of cognitive signatures, showing they resist timing-forgery attacks that defeat motor-level authentication because the cognitive channel is entangled with semantic content. We conclude that reframing authorship verification as a human-computer interaction problem provides a privacy-preserving alternative to invasive surveillance.
Authors: Ruichen Xu, Wenjing Yan, Ying-Jun Angela Zhang
Abstract: Understanding reasoning in large language models is complicated by evaluations that conflate multiple reasoning types. We isolate analogical reasoning, where a model transfers an attribute between entities that share known properties, and study when such transfer can emerge from training. To make the problem analytically tractable, we study a minimal transformer-style abstraction that isolates how learned representations support analogical reasoning. Within this setting, we prove three key results. First, joint training on similarity and attribution premises enables analogical reasoning through aligned representations. Second, sequential training succeeds only when similarity structure is learned before specific attributes, revealing a curriculum asymmetry. Third, in our stylized setting, two-hop reasoning $(a \to b, b \to c \Rightarrow a \to c)$ can be viewed as analogical reasoning with identity bridges $(b=b)$, which appear explicitly in training data. Together, these results reveal a unified mechanism: entities with shared properties become aligned in representation space, enabling property transfer through feature resemblance. Experiments with architectures up to 8B parameters show qualitative agreement with the theory and suggest that representational geometry plays an important role in analogical reasoning beyond the stylized model.
Authors: Ruishuo Chen, Yu Chen, Zhuoran Li, Longbo Huang
Abstract: Unsupervised Reinforcement Learning from Internal Feedback (RLIF) has emerged as a promising paradigm for eliciting the latent capabilities of Large Language Models (LLMs) without external supervision. However, current methods rely on heuristic intrinsic rewards, which often lack a well-defined theoretical optimization target and are prone to degenerative biases. In this work, we introduce PowerFlow, a principled framework that reformulates unsupervised fine-tuning as a distribution matching problem. By casting GFlowNet as an amortized variational sampler for unnormalized densities, we propose a length-aware Trajectory-Balance objective that explicitly neutralizes the structural length biases inherent in autoregressive generation. By targeting $\alpha$-power distributions, PowerFlow enables the directional elicitation of the dual nature of LLMs: sharpening the distribution ($\alpha > 1$) to intensify logical reasoning, or flattening it ($\alpha < 1$) to unlock expressive creativity. Extensive experiments demonstrate that PowerFlow consistently outperforms existing RLIF methods, matching or even exceeding supervised GRPO. Furthermore, by mitigating over-sharpening in aligned models, our approach achieves simultaneous gains in diversity and quality, shifting the Pareto frontier in creative tasks.
Authors: Weiming Feng, Heng Guo, Minji Yang
Abstract: We show polylogarithmic mixing time bounds for the alternating-scan sampler for positively weighted restricted Boltzmann machines. This is done via analysing the same chain and the Glauber dynamics for ferromagnetic two-spin systems, where we obtain new mixing time bounds up to the critical thresholds.
Authors: Xuyang Li, Rui Li, Teng Man, Yimin Lu
Abstract: Granular flows govern many natural and industrial processes, yet their interior kinematics and mechanics remain largely unobservable, as experiments access only boundaries or free surfaces. Conventional numerical simulations are computationally expensive for fast inverse reconstruction, and deterministic models tend to collapse to over-smoothed mean predictions in ill-posed settings. This study, to the best of the authors' knowledge, presents the first conditional flow matching (CFM) framework for granular-flow reconstruction from sparse boundary observations. Trained on high-fidelity particle-resolved discrete element simulations, the generative model is guided at inference by a differentiable forward operator and a novel sparsity-aware gradient guidance mechanism. This mechanism avoids the gradient dilution inherent to standard mean-squared-error approaches, preserves the absolute physical scale of observation errors, enforces measurement consistency without hyperparameter tuning, and prevents unphysical velocity predictions in non-material regions. A physics decoder maps the reconstructed velocity fields to stress states and energy fluctuation quantities, including mean stress, deviatoric stress, and granular temperature. The framework accurately recovers interior flow fields from full observation to only 16\% of the informative window, and it remains effective under strongly diluted spatial resolution with only 11% of data. It also outperforms a deterministic CNN baseline in the most ill-posed reconstruction regime and provides spatially resolved uncertainty estimates through ensemble generation. These results demonstrate that conditional generative modeling offers a practical route for non-invasive inference of hidden bulk mechanics in granular media, and it suggests potential applicability for inverse problems in particulate and multiphase systems.
Authors: Daniel J. Tan, Jayne Hui Zhen Chan, Kai Wen Hwang, Arturo Yong Yao Neo, Kay Choong See, Mengling Feng
Abstract: Designing reward functions for reinforcement learning (RL) in healthcare remains challenging because clinically meaningful outcomes are sparse, delayed, and difficult to explicitly specify. Although structured clinical data capture physiologic states, they often fail to reflect broader aspects of patient trajectories such as treatment response, recovery dynamics, and intervention burden. Clinical narratives, by contrast, encode longitudinal clinician assessments of disease progression, treatment effectiveness, and recovery, providing a potential source of trajectory-level supervision beyond predefined outcome metrics. We propose Clinical Narrative-informed Preference Rewards (CN-PR), a framework that learns reward functions directly from discharge summaries by treating clinical narratives as scalable supervision for trajectory-level preferences. Using a large language model, we derive trajectory quality scores and construct pairwise preferences between patient trajectories to learn rewards through preference-based optimization. To account for variability in narrative informativeness, we incorporate a task relevance signal that weights supervision according to its relevance to the downstream decision-making task. We evaluate CN-PR in dynamic sepsis treatment using offline RL. The learned reward demonstrated strong monotonic alignment with trajectory quality scores and produced policies associated with improved recovery-related outcomes, including increased organ support-free days and faster shock resolution, while maintaining mortality performance comparable to outcome-based reward baselines. These findings were preserved under external validation. Our results suggest that clinical narratives provide a scalable and expressive source of supervision for reward learning in dynamic treatment regimes.
Authors: Wenbo Pan, Shujie Liu, Xiangyang Zhou, Shiwei Zhang, Wanlu Shi, Mirror Xu, Xiaohua Jia
Abstract: Large language model agents rely on specialized memory systems to accumulate and reuse knowledge during extended interactions. Recent architectures typically adopt a fixed memory design tailored to specific domains, such as semantic retrieval for conversations or skills reused for coding. However, a memory system optimized for one purpose frequently fails to transfer to others. To address this limitation, we introduce M$^\star$, a method that automatically discovers task-optimized memory harnesses through executable program evolution. Specifically, M$^\star$ models an agent memory system as a memory program written in Python. This program encapsulates the data Schema, the storage Logic, and the agent workflow Instructions. We optimize these components jointly using a reflective code evolution method; this approach employs a population-based search strategy and analyzes evaluation failures to iteratively refine the candidate programs. We evaluate M$^\star$ on four distinct benchmarks spanning conversation, embodied planning, and expert reasoning. Our results demonstrate that M$^\star$ improves performance over existing fixed-memory baselines robustly across all evaluated tasks. Furthermore, the evolved memory programs exhibit structurally distinct processing mechanisms for each domain. This finding indicates that specializing the memory mechanism for a given task explores a broad design space and provides a superior solution compared to general-purpose memory paradigms.
Authors: Micha{\l} Derezi\'nski, Yuji Nakatsukasa, Elizaveta Rebrova
Abstract: The quest for an algorithm that solves an $n\times n$ linear system in $O(n^2)$ time complexity, or $O(n^2 \text{poly}(1/\epsilon))$ when solving up to $\epsilon$ relative error, is a long-standing open problem in numerical linear algebra and theoretical computer science. There are two predominant paradigms for measuring relative error: forward error (i.e., distance from the output to the optimum solution) and backward error (i.e., distance to the nearest problem solved by the output). In most prior studies, convergence of iterative linear system solvers is measured via various notions of forward error, and as a result, depends heavily on the conditioning of the input. Yet, the numerical analysis literature has long advocated for backward error as the more practically relevant notion of approximation. In this work, we show that -- surprisingly -- the classical and simple Richardson iteration incurs at most $1/k$ (relative) backward error after $k$ iterations on any positive semidefinite (PSD) linear system, irrespective of its condition number. This universal convergence rate implies an $O(n^2/\epsilon)$ complexity algorithm for solving a PSD linear system to $\epsilon$ backward error, and we establish similar or better complexity when using a variety of Krylov solvers beyond Richardson. Then, by directly minimizing backward error over a Krylov subspace, we attain an even faster $O(1/k^2)$ universal rate, and we turn this into an efficient algorithm, MINBERR, with complexity $O(n^2/\sqrt\epsilon)$. Finally, we extend this approach via normal equations to solving general linear systems in $O(n^2\log(n)/\epsilon)$ time complexity. We report strong numerical performance of our algorithms on benchmark problems.
Authors: Ziyang Liu
Abstract: We study post-training W4A4 quantization in a controlled 300M-parameter SwiGLU decoder-only language model trained on 5B tokens of FineWeb-Edu, and ask which input-activation sites dominate the error. Naive round-to-nearest W4A4 collapses validation perplexity from FP16 23.6 to 1727. A simple residual-axis training-time intervention -- Depth Registers with a register-magnitude hinge loss (DR+sink) -- reduces this to 119 (about 14x) at matched FP16 PPL and matched zero-shot capacity, and composes with SmoothQuant to 39.9 PPL. The residual ~2 PPL gap to FP16 is the diagnostic core. We decompose W4A4 damage by input-activation site: the five trainable linears in a SwiGLU block split into residual-axis readers (qkv, w1, w3) and block-internal generators (o_proj, w2). Elementary norm arguments show residual-axis magnitude control bounds readers tightly but leaves w2's bilinear input bounded only by the trivial product of factor bounds; empirically, DR+sink collapses reader kurtosis while leaving generators essentially unchanged, and the reader-rescued W4A4 residue is flat at ~0.28 nats across three matched checkpoints with Delta-remove(w2) dominating. We present DR+sink as a training-time probe rather than a deployment proposal: a post-hoc alternative (Per-Linear QuaRot) nearly matches it on the reader axis. Full QuaRot -- adding online per-head value Hadamard plus online w2-input rotation -- does not close the gap either, directly testing the prediction that orthogonal rotation cannot bound the bilinear SwiGLU tail. Claims are specific to our 300M, 5B-token, single-seed setting, and our experiments do not isolate the partition from the hinge.
Authors: Jackie Baek, Atanas Dinev, Thodoris Lykouris
Abstract: We study online learning for new products on a platform that makes capacity-constrained assortment decisions on which products to offer. For a newly listed product, its quality is initially unknown, and quality information propagates through social learning: when a customer purchases a new product and leaves a review, its quality is revealed to both the platform and future customers. Since reviews require purchases, the platform must feature new products in the assortment ("explore") to generate reviews to learn about new products. Such exploration is costly because customer demand for new products is lower than for incumbent products. We characterize the optimal assortments for exploration to minimize regret, addressing two questions. (1) Should the platform offer a new product alone or alongside incumbent products? The former maximizes the purchase probability of the new product but yields lower short-term revenue. Despite the lower purchase probability, we show it is always optimal to pair the new product with the top incumbent products. (2) With multiple new products, should the platform explore them simultaneously or one at a time? We show that the optimal number of new products to explore simultaneously has a simple threshold structure: it increases with the "potential" of the new products and, surprisingly, does not depend on their individual purchase probabilities. We also show that two canonical bandit algorithms, UCB and Thompson Sampling, both fail in this setting for opposite reasons: UCB over-explores while Thompson Sampling under-explores. Our results provide structural insights on how platforms should learn about new products through assortment decisions.
Authors: Seunghan Lee, Jun Seo, Jaehoon Lee, Sungdong Yoo, Minjae Kim, Tae Yoon Lim, Dongwan Kang, Hwanil Choi, Soonyoung Lee, Wonbin Ahn
Abstract: Time series (TS) reasoning models (TSRMs) have shown promising capabilities in general domains, yet they consistently fail on financial domain, which exhibit unique characteristics. We propose a general 2x2 capability taxonomy for TSRMs by crossing 1) single-entity vs. multi-entity analysis with 2) assessment of the current state vs. prediction of future behavior. We instantiate this taxonomy in the financial domain -- where the distinction between deterministic assessment and stochastic prediction is particularly critical -- as ten financial reasoning tasks, forming the FinTSR-Bench benchmark based on S&P stocks. To this end, we propose FinSTaR (Financial Time Series Thinking and Reasoning), trained on FinTSR-Bench with distinct chain-of-thought (CoT) strategies tailored to each category. For assessment, which is deterministic (i.e., computable from observable data), we employ Compute-in-CoT, a programmatic CoT that enables models to derive answers directly from raw prices. For prediction, which is inherently stochastic (i.e., subject to unobservable factors), we adopt Scenario-Aware CoT, which generates diverse scenarios before making a judgment, mirroring how financial analysts reason under uncertainty. The proposed method achieves 78.9% average accuracy on FinTSR-Bench, substantially outperforming LLM and TSRM baselines. Furthermore, we show that the four capability categories are complementary and mutually reinforcing through joint training, and that Scenario-Aware CoT consistently improves prediction accuracy over standard CoT. Code is publicly available at: https://github.com/seunghan96/FinSTaR.
Authors: Zheng Fang, Xiaosen Wang, Shenyi Zhang, Shaokang Wang, Zhijin Ge
Abstract: Jailbreak attacks on audio language models (ALMs) optimize audio perturbations to elicit unsafe generations, and they typically update the entire waveform densely throughout optimization. In this work, we investigate the necessity of such dense optimization by analyzing the structure of token-aligned gradients in ALMs. We find that gradient energy is highly non-uniform across audio tokens, indicating that only a small subset of token-aligned audio regions dominates the optimization signal. Motivated by this observation, we propose Token-Aware Gradient Optimization (TAGO), which enables sparse jailbreak optimization by retaining only waveform gradients aligned with audio tokens that have high gradient energy, while masking the remaining gradients at each iteration. Across three ALMs, TAGO outperforms baselines, and substantial sparsification preserves strong attack success rates (e.g. on Qwen3-Omni, $\mathrm{ASR}_{l}$ remains at 86% with a token retention ratio of 0.25, compared to 87% with full token retention). These results demonstrate that dense waveform updates are largely redundant, and we advocate that future audio jailbreak and safety alignment research should further leverage this heterogeneous token-level gradient structure.
Authors: Miriam Senne, Benjamin D. Killeen, Tony Danjun Wang, Nassir Navab
Abstract: Body composition assessment (BCA) provides detailed information about the distribution of different tissue types in the body, enabling more precise characterization of individuals than BMI or weight alone. Consistent and frequent BCA would be valuable for personalized medicine, but the gold standard methods for BCA, such as CT and MRI, are only practical for opportunistic monitoring of patients with clinical indications for imaging and are not suitable for routine use in the general population. Here, we consider an imaging modality which is not currently used in medical applications: millimeter wave (mmWave) radar. Commonly used in security settings, mmWave scans enable fast, non-intrusive, and privacy-preserving reconstruction of full body shape without the need to remove clothing. To demonstrate the feasibility of fast and convenient BCA from mmWave scans, we present a method for BCA value regression using a multi-task learning strategy that leverages synthetic mmWave-like point clouds derived from clinical imaging and parametric human models. We evaluate the model on a pilot cohort of real mmWave scans with bioimpedance-derived body fat measurements, supporting the feasibility of estimating VAT and body fat percentage (BFP) from mmWave data acquired through clothing in a standing posture. We find that the model can predict VAT and BFP with a mean absolute error of 1.0 L and 3.2%, respectively, demonstrating the potential of mmWave scanning for routine BCA in a wide range of settings.
Authors: Suvi De Silva, Alfreds Lapkovskis, Alaa Saleh, Sasu Tarkoma, Praveen Kumar Donta
Abstract: Grey failures in the computing continuum produce ambiguous overlapping symptoms that existing approaches fail to diagnose reliably, either due to a lack of causal awareness or acting under high epistemic uncertainty, risking destructive interventions. This paper presents an uncertainty-aware resilience micro-agent for causal observability (AURORA), a lightweight framework for diagnosing and mitigating grey failures in edge-tier environments. The framework employs parallel micro-agents that integrate the free-energy principle, causal do-calculus, and localized causal state-graphs to support counterfactual root-cause analysis within each fault's Markov blanket. Restricting inference to causally relevant variables reduces computational overhead while preserving diagnostic fidelity. AURORA further introduces a dual-gated execution mechanism that authorizes remediation only when causal confidence is high and predicted epistemic uncertainty is bounded; otherwise, it abstains from local intervention and escalates the diagnostic payload to the fog tier. Our experiments demonstrate that AURORA outperforms baselines, achieving a 0% destructive action rate, while maintaining 62.0% repair accuracy and a 3ms mean time to repair.
Authors: Alexander Shen, Mikael Kuusela
Abstract: For stochastic process models, parameter inference is often severely bottlenecked by computationally expensive likelihood functions. Simulation-based inference (SBI) bypasses this restriction by constructing amortized surrogate likelihoods, but most SBI methods assume a black-box data generating process. While these surrogates are exact in the limit of infinite training data, practical scenarios force a strict tradeoff between model quality and simulation cost. In this work, we loosen the black-box assumption of SBI to improve this tradeoff for structured stochastic process models. Specifically, for neural network likelihood surrogates trained via probabilistic classification, we propose to augment the standard binary cross-entropy loss with exact score information $\nabla_\theta \log p(x \mid \theta)$ and adaptive weighting based on loss gradients. We evaluate our approach on case studies involving network dynamics and spatial processes, demonstrating that our method improves surrogate quality at a drastically lower computational cost than generating more training data. Notably, in some cases, our approach achieves downstream inference performance equivalent to a 10x increase in training data with less than a 1.1x increase in training time.
Authors: Yanting Miao, Yutao Sun, Dexin Wang, Mengyu Zhou, Pascal Poupart, Lei Lv, Qi Zhao, Li Wang, Hao Li, Xiaoxi Jiang, Guanjun Jiang
Abstract: Visual latent reasoning lets a multimodal large language model (MLLM) create intermediate visual evidence as continuous tokens, avoiding external tools or image generators. However, existing methods usually follow an output-as-input latent paradigm and yield unstable gains. We identify evidence for a feature-space mismatch that can contribute to this instability: dominant visual-latent models build on pre-norm MLLMs and reuse decoder hidden states as predicted latent inputs, even though these states occupy a substantially different norm regime from the input embeddings the model was trained to consume (Xie et al., 2025; Li et al., 2026; Team et al., 2026). This mismatch can make direct latent feedback unreliable. Motivated by this diagnosis, we propose GAP, a Granular Alignment Paradigm for visual latent modeling. GAP aligns visual latent reasoning at three levels: feature-level alignment maps decoder outputs into input-compatible visual latents through a lightweight PCA-aligned latent head; context-level alignment grounds latent targets with inspectable auxiliary visual supervision; and capacity-guided alignment assigns latent supervision selectively to examples where the base MLLM struggles. On Qwen2.5-VL 7B, the resulting model achieves the best mean aggregate perception and reasoning performance among our supervised variants. Inference-time intervention probing further suggests that generated latents provide task-relevant visual signal beyond merely adding token slots.
Authors: Fusheng Luo, H'elyette Geman
Abstract: This paper introduces a physics-informed generative framework that resolves the fundamental conflict between the statistical flexibility of deep learning and the rigorous theoretical constraints of fixed-income modeling. We demonstrate that standard generative models and unconstrained statistical extrapolations suffer from "manifold collapse" and severe arbitrage violations when forecasting term structures across diverse macroeconomic regimes. To overcome this, we propose a two-stage architecture. First, a Student-t Conditional Variational Autoencoder with Dynamic Level Injection (CVAEsT+LS) extracts a robust, heavy-tailed term structure manifold, effectively decoupling macroeconomic shape dynamics from absolute base rates. Second, the latent dynamic evolution is governed by a continuous-time Neural Stochastic Differential Equation (SDE) strictly penalized by a No-Arbitrage Partial Differential Equation (PDE). Empirical results across multiple sovereign currencies (USD, GBP, JPY) confirm that our synergistic approach drastically reduces out-of-sample forecasting errors -- achieving an exceptional 6.58 bps Mean Tenor RMSE -- and successfully overcomes the massive parallel drift and zero-lower-bound violations exhibited by the classical HJM model in extreme environments. Furthermore, through phase space vector field analysis, we demonstrate the model's superior capability in unsupervised macroeconomic regime detection and high-quality continuous-time scenario generation. Ultimately, this research provides a highly scalable, mathematically sound evolutionary engine for term structure modeling.
Authors: Davi Bastos Costa, Renato Vicente
Abstract: Fine-tuning large language models on narrow data with harmful content produces broadly misaligned behavior on unrelated prompts, a phenomenon known as emergent misalignment. We propose that emergent misalignment involves persona-model collapse: deterioration of the model's internal capacity to simulate, differentiate, and maintain consistent characters. We test this hypothesis behaviorally using two metrics: moral susceptibility (S) and moral robustness (R), computed from the across- and within-persona variability of models' Moral Foundations Questionnaire responses under persona role-play. These metrics formalize the model's ability to differentiate characters (S) and its consistency when simulating a given one (R). We evaluate four frontier models (DeepSeek-V3.1, GPT-4.1, GPT-4o, Qwen3-235B) in three variants: base, fine-tuned to output insecure code, and a matched control fine-tuned to output secure code. Across the four models, insecure fine-tuning produces an average $55\%$ increase in S, pushing all four insecure variants beyond the band observed across 13 frontier models benchmarked in prior work -- with GPT-4o reaching more than twice the band's upper end -- signaling dysregulated differentiation. It also causes an average $65\%$ decrease in R, equivalent to a $304\%$ increase in 1/R. By contrast, the matched secure control preserves S near the base and induces only a partial R loss, showing that these effects are largely misalignment-specific. Complementing these metric shifts, insecure variants' unconditioned responses converge toward saturation near the scale ceiling, departing markedly from both base models' structured responses and those elicited when base models role-play toxic personas. Taken together, these metrics provide a sensitive diagnostic for emergent misalignment and serve as behavioral evidence that it involves persona-model collapse.
Authors: Feijiang Li, Zhenxiong Li, Jieting Wang, Zizheng Jiu, Saixiong Liu, Liang Du
Abstract: Image clustering aims to partition unlabeled image datasets into distinct groups. A core aspect of this task is constructing and leveraging prior knowledge to guide the clustering process. Recent approaches introduce semantic descriptions as prior information, most of which typically relying on matching-based techniques with predefined vocabularies. However, the limited matching space restricts their adaptability to downstream clustering tasks. Moreover, these methods primarily focus on reducing bias to improve performance, frequently overlooking the importance of variance reduction. To address these limitations, we propose GSEC (Image Clustering based on Generative Semantic Guidance and Bi-Layer Ensemble), a framework designed to reduce bias through generative semantic guidance and mitigate variance via ensemble learning. Our method employs Multimodal Large Language Models to generate semantic descriptions and derive image embeddings via weighted averaging. Additionally, a bi-layer ensemble strategy integrates cross-modal information through BatchEnsemble in the inner layer and aligns outputs via an alignment mechanism in the outer layer. Comparative experiments demonstrate that GSEC outperforms 18 state-of-the-art methods across six benchmark datasets, while further analysis confirms its effectiveness in simultaneously reducing both bias and variance. The code is available at https://github.com/2017LI/GSEC.git.
Authors: Jonas Reiter, Jakob Elias Gebler, Hector Geffner
Abstract: Classical planners can effectively solve very large deterministic MDPs represented in STRIPS or PDDL where states are sets of atoms over objects and relations, and lifted action schemas add or delete these atoms. This compact representation yields strong search heuristics and provides an ideal setting for structural generalization, since lifted relations and action schemas give rise to infinitely many domain instances. A central challenge is to learn these relations and action schemas from data, and recent approaches have addressed this problem using different types of observations. In this work, we develop a novel neural network architecture for learning action schemas from traces where states are fully observed but action arguments are unobserved. The problem is a simplification but an important step towards learning planning domains from sequences of images and action labels, and we aim to solve this simplification in a nearly perfect manner. The challenge lies in learning the action schemas while simultaneously identifying the action arguments from observed state changes. Our approach yields a robust differentiable component that can then be integrated into larger neuro-symbolic models. We evaluate the architecture on various planning domains, where the learned lifted action schemas must recover the ground-truth structure. Additionally, we report experiments on robustness to observation noise and on a variation related to slot-based dynamics models.
Authors: Itay Zloczower, Eyal Lenga, Gilad Gressel, Yisroel Mirsky
Abstract: Model providers increasingly release open weights or allow users to fine-tune foundation models through APIs. Although these models are safety-aligned before release, their safeguards can often be removed by fine-tuning on harmful data. Recent defenses aim to make models robust to such malicious fine-tuning, but they are largely evaluated only against fixed attacks that do not account for the defense. We show that these robustness claims are incomplete. Surveying 15 recent defenses, we identify several defense mechanisms and show that they share a single weakness: they obscure or misdirect the path to harmful behavior without removing the behavior itself. We then develop a unified adaptive attack that breaks defenses across all defense mechanisms. Our results show that current approaches do not provide robust security; they mainly stop the attacks they were designed against. We hope that our unified adaptive adversary for this domain will help future researchers and practitioners stress-test new defenses before deployment.
Authors: Nils Feldhus, Tanja Baeumel, Elena Golimblevskaia, Qianli Wang, Van Bach Nguyen, Aaron Louis Eidt, Selin Kahvecioglu, Christopher Ebert, Wojciech Samek, Jing Yang, Vera Schmitt, Sebastian M\"oller, Simon Ostermann
Abstract: LLM-as-a-judge has become the dominant paradigm for grading model outputs at scale, yet the same model assigns systematically different scores when its output format changes (e.g., a 1-5 rating vs. a True/False label). Existing diagnoses of these format-induced inconsistencies stop at the input-output level. Using Position-aware Edge Attribution Patching (PEAP), we causally investigate the internal mechanism in Gemma-3, Qwen2.5, and Llama-3. We find that judgments across structured understanding and open-ended preference tasks share a sparse, generalized Latent Evaluator sub-graph in the mid-to-late multi-layer perceptrons (MLPs); zero-ablating it collapses judgment while preserving world knowledge in architecturally modular models. By structurally decoupling abstract judging from output formatting, we provide a mechanistic account of format-induced inconsistency on the open-weight models we study: a continuous judgment signal computed in the shared trunk is mapped through fragile, format-specific terminal branches, enabling format-independent preference to be isolated downstream of the requested output format. Our findings imply that benchmark-level reliability comparisons across formats are partially measuring formatter geometry rather than evaluation quality.
Authors: Qinwu Xu, Yifan Jiang, Haoyu Ren
Abstract: Optical character recognition (OCR) and multilingual text understanding remain major failure modes of multimodal large language models (MLLMs), particularly in real-world images containing cluttered layouts, small fonts, blur, occlusion, and complex typography. We present an OCR-aware multilingual multimodal training framework that combines (i) large-scale synthetic OCR-to-translation data generation, (ii) OCR-aware supervised fine-tuning (SFT) with LoRA adaptation, and (iii) structured visual chain-of-thought (CoT) prompting for reasoning under uncertain visual conditions. Using a LLaMA-based multimodal architecture, the proposed framework substantially improves OCR completeness, multilingual translation accuracy, and robustness under degraded visual conditions. Experimental results on multilingual receipts, menus, posters, signs, handwritten text, and document images demonstrate significantly improved visual-text grounding compared with the baseline model. In particular, the proposed OCR-aware post-training framework improves extraction of small, blurred, spatially scattered, and partially occluded text while reducing reliance on language priors under uncertain OCR conditions. Qualitative comparisons with frontier multimodal systems, including GPT-5-class and Gemini-family models, further suggest improved OCR grounding and reduced hallucination under noisy and visually ambiguous OCR scenarios. Overall, the results indicate that data-centric OCR-aware multimodal post-training provides an effective and scalable direction for improving multilingual OCR and OCR-based visual question answering systems.
Authors: Mengting Pan, Fan Li, Chen Chen, Xiaoyang Wang
Abstract: Graph neural networks (GNNs) have achieved remarkable success in relational learning. However, their vulnerability to graph backdoor attacks (GBAs) poses a significant barrier to broader adoption in high-stakes applications. Despite recent advances in graph backdoor defense (GBD), existing methods primarily focus on subgraph-based GBAs, relying on the assumption that poisoned target nodes are explicitly connected to subgraph triggers. Our empirical results reveal that such structure-centric approaches fail to defend against emerging feature-based GBAs that preserve graph topology. Therefore, in this paper, we study a novel problem of universal graph backdoor defense. First, we investigate the shared effects of both attack types from a feature-based homophily perspective, which characterizes local feature consistency between nodes and their neighborhoods. Thorough theoretical and empirical analyses demonstrate that, regardless of trigger mechanisms, backdoors induced by GBAs exhibit lower feature-based homophily than clean nodes, indicating a discrepancy in local feature similarity. Motivated by this insight, we propose to leverage node-level local feature consistency, modeled by a neighbor-aware reconstruction loss, to distinguish backdoors from clean nodes. Then, a robust training strategy is developed to eliminate trigger effects while reducing noise induced by detection uncertainty. Extensive experiments demonstrate that our framework significantly degrades the attack success rate and maintains competitive clean accuracy under both subgraph-based and feature-based attacks.
Authors: Bob Junyi Zou, Sai Li, Tianyun Sun, Wentao Guo, Qinglei Wang
Abstract: A fundamental challenge in recommender systems is balancing reliability for Low-Active Users (LAUs) with diversity for High-Active Users (HAUs). The key to this balance lies in quantifying model uncertainty, which approximates the risk of prediction errors and reveals the limits of the model's current knowledge. On large-scale short-video and livestream platforms, model uncertainty can warn of low-quality recommendations that may lead to disengagement of LAUs and at the same time identify opportunities to diversify content recommendation for HAUs. To leverage this dichotomy, we introduce a unified, production-ready framework that calibrates uncertainty to drive differentiated strategies. Specifically, we implement a model-uncertainty-based risk-averse deboosting policy for LAUs to suppress unreliable recommendations, while employing a risk-seeking Upper Confidence Bound (UCB) strategy for HAUs to encourage exploration. Validated on a major livestream platform, our framework demonstrates significant improvements in retention (active hours) and satisfaction (quality watch time ratio) for LAUs as well as remarkable increases in interest diversity and category coverage for HAUs, proving the value of uncertainty-aware recommendation in industrial settings.
Authors: Lifu Wei, Yinuo Ren, Naichen Shi, Yiping Lu
Abstract: Data assimilation (DA) addresses the problem of sequentially estimating the state of a dynamical system from noisy and incomplete observations. In this work, we employ a diffusion model as a world model to simulate and predict the system's dynamics. Recently, score-based diffusion models have learned global diffusion priors that effectively model (stochastic) dynamics, revealing strong potential for data assimilation. In this paper, we investigate how information from noisy observations can be incorporated to enable continuous correction and refinement of the predicted system state when using a diffusion prior. Motivated by particle filtering methods, we represent the posterior distribution using a set of particles. After receiving noisy observations, the diffusion model is guided using the observation likelihood to steer the generation process toward observation-consistent states. Nevertheless, such guidance does not guarantee sampling from the true posterior. We therefore employ a Sequential Monte Carlo approach over the diffusion trajectory, viewed as a path measure, to reweight and resample particles, thereby correcting the generation process and ensuring convergence toward the desired posterior distribution. This leads to an unbiased particle filtering method that rigorously fuses observational data with diffusion model simulations.
Authors: Yining Hong, Jiageng Liu, Han Yin, Manling Li, Leonidas Guibas, Li Fei-Fei, Jiajun Wu, Yejin Choi
Abstract: Spatial intelligence unfolds through a perception-action loop: agents act to acquire observations, and reason about how observations vary as a function of action. Rather than passively processing what is seen, they actively uncover what is unseen - occluded structure, dynamics, containment, and functionality that cannot be resolved from passive sensing alone. We move beyond prior formulations of spatial intelligence that assume oracle observations by recasting the observer as an actor. We introduce ESI-BENCH, a comprehensive benchmark for embodied spatial intelligence spanning 10 task categories and 29 subcategories built on OmniGibson, grounded in Spelke's core knowledge systems. Agents must decide what abilities to deploy - perception, locomotion, and manipulation - and how to sequence them to actively accumulate task-relevant evidence. We conduct extensive experiments on state-of-the-art MLLMs and find that active exploration substantially outperforms passive counterparts, with agents spontaneously discovering emergent spatial strategies without explicit instructions, while random multi-view often adds noise rather than signal despite consuming far more images. Most failures stem not from weak perception but from action blindness: poor action choices lead to poor observations, which in turn drive cascading errors. While explicit 3D grounding stabilizes reasoning on depth-sensitive tasks, imperfect 3D representation proves more harmful than 2D baselines by distorting spatial relations. Human studies further reveal that unlike humans who seek falsifying viewpoints and revise beliefs under contradiction, models commit prematurely with high confidence regardless of evidence quality, exposing a metacognitive gap that neither better perception nor more embodied interaction alone can close.
Authors: Benjamin Sterling, M\'onica F. Bugallo, Tom Tirer
Abstract: Diffusion/score-based models have emerged as powerful generative models, capable of generating high-quality samples that mimic the training data distribution. However, it has been observed that they are prone to reproducing training samples-known as "memorization"-potentially violating copyright and privacy. In this paper, we study the effect of Higher-Order Langevin Dynamics (HOLD) on this phenomenon. HOLD diffusion processes introduce auxiliary variables; if the data variable is interpreted as "position," then the auxiliary variables can be interpreted as "velocity" and "acceleration," depending on the chosen order of the model. They were originally proposed based on the intuition that they regularize the trajectories of the data variable by implicitly imposing additional dynamical constraints. Our work provides, to our knowledge, the first theoretical characterization of the regularization effect of HOLD. Specifically, we show that in HOLD, the dynamics of the data variable are governed by a low-pass-filtered version of the learned score function, with smoothness increasing with the order of HOLD. We then analyze the optimal empirical score and the possibility of distribution collapse. Together, our results explain the mitigation of memorization as the model order increases. Finally, we present an empirical study on real-world data that supports our theory and highlights this distinct advantage of HOLD over standard diffusion in practice.
Authors: Serhii Zabolotnii
Abstract: Uniform sampling on implicitly defined manifolds is a core primitive in motion planning, constrained simulation, and probabilistic machine learning. MASEM addresses this problem by entropy-maximizing resampling, but its resampling weights depend on a local k-nearest-neighbour density estimate whose errors can be amplified by aggressive resampling temperatures. We ask whether a polynomial-maximization moment estimator can replace the plug-in density rule without changing the surrounding MASEM architecture. The proposed PMM-MASEM module computes shell spacings from nested k-nearest-neighbour radii, estimates their standardized cumulants, and uses a gated PMM2/PMM3 estimator only when the spacing distribution departs from the flat Exp(1) regime; otherwise it falls back to the plug-in/MLE rule. This fallback is essential: on a flat homogeneous manifold the plug-in estimator is already the MLE, so PMM should not outperform it. A local Known-DGP Monte Carlo experiment confirms this gate: the selector returns MLE on flat Exp(1) spacings and reduces density MSE by 22--36% on asymmetric gamma and boundary-spacing regimes. The evidence is not uniformly positive: PMM3 worsens a platykurtic uniform spacing law, and a lightweight resampling-proxy experiment improves seven-lobes coverage but degrades the sine and swiss-roll proxies. The current evidence therefore supports an applicability-boundary result rather than a general MASEM improvement claim.
Authors: Lautaro Estienne, Erik Ernst, Mat\'ias Vera, Pablo Piantanida, Luciana Ferrer
Abstract: In high-stakes automated decision-making, access to predictive uncertainty is essential for enabling users -- human or downstream systems -- to accept or reject predictions based on application-specific cost trade-offs. Such uncertainty-augmented (UA) systems -- i.e., systems that output both predictions and uncertainty scores -- are currently being assessed in the literature in a variety of ways, using separate metrics to evaluate the predictions and the uncertainty scores, setting a cost function with a fixed rejection cost or integrating over a coverage-risk curve. We argue that these evaluation approaches are inadequate for assessing overall performance of the UA system for decision making under uncertainty and propose a novel family of metrics, ECUAS$_n$, formulated as proper scoring rules for the task of interest. The parameter $n$ controls the trade-off between the cost of incorrect predictions and imperfect uncertainties depending on the needs of the use-case. We demonstrate the advantages of the ECUAS$_n$ metrics both theoretically and empirically, through experiments on diverse classification and generation datasets, including a manually annotated subset of TriviaQA.
Authors: Ashwani Siwach, Sanjeev Narayan Sharma, Sunil Datt Sharma
Abstract: Long non-coding RNAs (lncRNAs) are emerging regulatory molecules implicated in chronic disease pathogenesis, including Type 2 Diabetes Mellitus (T2D). We investigated ten literature reported lncRNAs associated with T2D: MALAT1, MEG3, MIAT, ANRIL, GAS5, KCNQ1OT1, H19, BCYRN1, XIST, and HOTAIR across two independent population-based RNA-seq cohorts. Single-omics approaches provide an incomplete view of disease biology, therefore, an integrative multi-feature framework was developed, extracting expression, secondary-structure, and sequence features for each lncRNA. Eight machine learning (ML) classifiers were evaluated under stratified k-fold, leave-one-out cross-validation (LOOCV), and repeated hold-out schemes to ensure robust performance estimation. SHAP analysis was applied for subject-level association interpretation. In one cohort, GAS5 and XIST expression features, along with GAS5, MEG3, and ANRIL sequence features, were found to be associated with T2D, while MALAT1 expression and KCNQ1OT1, ANRIL, and MEG3 sequence features were found to be associated in the second cohort. MEG3 was identified by SHAP as the dominant lncRNA in both cohorts. ML results were consistent with established statistical methods while additionally providing population- and subject-level disease association profiles linked to specific molecular feature types. The proposed framework advances mechanistic understanding of T2D and supports lncRNA-based precision medicine.
Authors: Quang Duc Nguyen, Siyuan Liang, Yiming Li, Fushuo Huo, Dacheng Tao
Abstract: Time Series Forecasting (TSF) is highly vulnerable to backdoor attacks, yet effective defenses remain underexplored due to challenges arising from data entanglement and shifts in task formulation. To fill this gap, we conduct a systematic evaluation of thirteen representative backdoor defenses across the TSF life cycle and analyze their failure modes. Our results reveal two fundamental issues: (1) data entanglement induces channel-level signal dilution, rendering sample-filtering and trigger-synthesis defenses ineffective at localizing backdoors; and (2) task-formulation shift leads to training-loss degeneration, causing poisoned and clean windows to become indistinguishable at training stages. Based on these findings, we propose a training-time backdoor defense for TSF, termed TimeGuard. Our method adopts channel-wise pool training as the core paradigm and initializes a high-confidence pool using time-aware criteria to mitigate signal dilution. Moreover, we introduce distance-regularized loss selection to progressively expand the reliable pool during training and ease loss degeneration. Extensive experiments across multiple datasets, forecasting architectures, and TSF backdoor attacks demonstrate that TimeGuard substantially improves robustness, boosting $\mathrm{MAE}_\mathrm{P}$ by $1.96\times$ over the leading baseline, while preserving clean performance within 5% $\mathrm{MAE}_\mathrm{C}$.
Authors: Sid-Ali Temkit
Abstract: Large language models are routinely used as automated evaluators: to review code, moderate content, or score outputs, often with many items passing through one conversation. We ask whether the polarity of prior conversation history biases subsequent judgments, an effect we call the accumulated message effect on LLM judgments (AMEL). Across 75,898 API calls to 11 models from 4 providers (OpenAI, Anthropic, Google, and four open-source models), we present identical test items in isolation or following histories saturated with predominantly positive or negative evaluations. Models shift toward the conversation's prevailing polarity (d = -0.17, p < 10^-46). The effect concentrates on items where the model is genuinely uncertain at baseline (d = -0.34 for high-entropy items, vs d = -0.15 when the baseline is deterministic). Bias does not grow with context length: 5 prior turns and 50 produce the same shift (Spearman |r| < 0.01; OLS slope p = 0.80). And there is a negativity asymmetry: paired per item, negative histories induce 1.62x more bias than positive (t = 13.46, p < 10^-39, n = 2,481). Scaling helps but does not solve it (Anthropic: Haiku -0.22 to Opus -0.17; OpenAI: Nano -0.34 to GPT-5.2 -0.17). Three follow-ups narrow the mechanism. The token probability distribution shifts continuously, not at a threshold. The negativity asymmetry has both token-level and semantic components, though attributing the balance is exploratory at our sample sizes. Position does not matter: five biased turns anywhere in a 50-turn history produce the same shift. The simplest fix for evaluation pipelines is a fresh context per item; when batching is unavoidable, balancing the history helps.
Authors: Qianshu Cai, Yonggang Zhang, Xianzhang Jia, Huajiang Zheng, Wei Xue, Jun Song, Xinmei Tian, Yike Guo
Abstract: Autonomous agentic systems are largely static after deployment: they do not learn from user interactions, and recurring failures persist until the next human-driven update ships a fix. Self-evolving agents have emerged in response, but all confine evolution to text-mutable artifacts -- skill files, prompt configurations, memory schemas, workflow graphs -- and leave the agent harness untouched. Since routing, hook ordering, state invariants, and dispatch live in code rather than in any text artifact, an entire class of structural failure is physically unreachable from the text layer. We argue that source-level adaptation is a fundamentally more general medium: it is Turing-complete, a strict superset of every text-mutable scope, takes effect deterministically rather than through base-model compliance, and does not erode under long-context drift. We present MOSS, a system that performs self-rewriting at the source level on production agentic substrates. Each evolution is anchored to an automatically curated batch of production-failure evidence and proceeds through a deterministic multi-stage pipeline; code modification is delegated to a pluggable external coding-agent CLI while MOSS retains stage ordering and verdicts. Candidates are verified by replaying the batch against the candidate image in ephemeral trial workers, then promoted via user-consent-gated, in-place container swap with health-probe-gated rollback. On OpenClaw, MOSS lifts a four-task mean grader score from 0.25 to 0.61 in a single cycle without human intervention.
Authors: Krishnakumar Balasubramanian
Abstract: We propose and analyze a conservative drifting method for one-step generative modeling. The method replaces the original displacement-based drifting velocity by a kernel density estimator (KDE)-gradient velocity, namely the difference of the kernel-smoothed data score and the kernel-smoothed model score. This velocity is a gradient field, addressing the non-conservatism issue identified for general displacement-based drifting fields. We prove continuous-time finite-particle convergence bounds for the conservative method on $\R^d$: a joint-entropy identity yields bounds for the empirical Stein drift, the smoothed Fisher discrepancy of the KDE, and the squared center velocity. The main finite-particle correction is a reciprocal-KDE self-interaction term, and we give deterministic and high-probability local-occupancy conditions under which this term is controlled. We keep the quadrature constants explicit and track their possible bandwidth dependence: the root residual-velocity rate $N^{-1/(d+4)}$ holds under an additional $h$-uniform quadrature regularity condition, while a more general growth condition yields the optimized root rate $N^{-(2-\beta)/(2(d+4-\beta))}$, where $0\le \beta<2$. We also analyze the non-conservative drifting method with Laplace kernel, corresponding to the original displacement-based velocity proposed in Deng et al., 2026 (arxiv:2602.04770). For this method, a sharp companion kernel decomposes the velocity into a positive scalar preconditioning of a sharp-score mismatch plus a Laplace scale-mismatch residual, producing an analogous finite-particle rate with an unavoidable residual term. Finally, we explain how the continuous-time residual-velocity bounds translate into one-step generation guarantees through the explicit drift size $\eta$.
Authors: Bruno Deprez, Wouter Verbeke, Tim Verdonck
Abstract: Modelling claim frequency and severity for non-life insurance pricing predominantly relies on generalised linear models, with gradient-boosted machines as the leading machine learning alternative. Tabular foundation models (TFMs) present a fundamentally different inference paradigm. By pre-training on large collections of synthetic datasets, TFMs enable inference on new data through in-context learning, without any dataset-specific fitting or hyperparameter tuning. This paper presents a first empirical evaluation of TabPFN for motor insurance pricing, benchmarking it against GLM and XGBoost on two publicly available MTPL datasets. Our results show that TabPFN does not consistently outperform established baselines, exhibits substantially longer inference times, and is sensitive to the size of the in-context training set. While tabular foundation models represent a promising direction, particularly in data-scarce settings, their current performance does not offer a viable replacement for established actuarial methods.
Authors: Jingyan Zhang, Han Liang, Ruichi Zhang, Bin Li, Juze Zhang, Xin Chen, Jingya Wang, Lan Xu, Jingyi Yu
Abstract: Controlling physics-based humanoids from natural-language instructions is a critical step toward general-purpose embodied agents. However, existing methods remain constrained by a tension between semantic expressiveness and physical feasibility, often failing to jointly achieve faithful instruction following, high-quality motion, and stable long-horizon control. We propose SCRIPT, a scalable diffusion policy with a multi-stage training framework for language-driven physics-based humanoid control. The core of SCRIPT is a Joint Action-State-Text Diffusion Transformer (JAST-DiT), which represents actions, physical states, and text as dedicated token streams and couples them through joint attention, enabling direct interaction between language semantics and control dynamics. To stabilize autoregressive control, we introduce a nonlinear history conditioning mechanism, which preserves the dense recent context and samples increasingly sparse cues from long-term history. Beyond supervised imitation pre-training, we propose a post-training stage, further improving the performance using Reinforcement Learning with Hybrid Rewards (RLHR). By injecting learnable noise into the flow-sampling process, RLHR effectively improves motion quality and instruction following within closed-loop simulations using hybrid physical feedback and text rewards. Quantitative evaluations demonstrate that SCRIPT outperforms prior state-of-the-art methods, with gains across text alignment, motion quality, and physical realism metrics. Furthermore, scaling studies on the 1200-hour MotionMillion dataset demonstrate consistent performance gains with model scaling, highlighting SCRIPT's robust scalability for large-scale pre-training. Our code will be publicly available for future research.
Authors: Stelios Boulitsakis Logothetis, Angela Wood, Pietro Li\`o
Abstract: Survival analysis aims to model how covariates and time jointly shape the time-to-event distribution under right censoring. Classical methods such as the Cox model and generalised additive models (GAMs) require interactions and time-varying effects to be manually specified, which is increasingly impractical on rich clinical datasets. We introduce KAPLAN-HR, a B-spline Kolmogorov-Arnold Network (KAN) for nonparametric estimation of the conditional hazard as a joint function of covariates and time. A single-layer KAPLAN-HR model recovers a GAM, while deeper architectures capture interactions and time-varying effects through composition. We establish a convergence rate for the nonparametric KAN hazard estimator that depends only on the smoothness of the underlying KAN representation and not on the covariate dimension, thereby mitigating the curse of dimensionality for KAN-representable targets. In evaluations over six clinical benchmark datasets, KAPLAN-HR matches or exceeds the predictive performance of established statistical and deep learning survival methods.
Authors: Nikola Pavlovic, Sattar Vakili, Qing Zhao
Abstract: Human feedback often arrives as preferences rather than calibrated numeric rewards, motivating reinforcement learning from preferential feedback, also referred to as reinforcement learning from human feedback (RLHF). We present a rigorous theoretical study of preference-only learning in episodic kernel MDPs. In each episode, the learner deploys two policies from a common start state and receives a single binary label indicating which trajectory is preferred, modeled by a Bradley--Terry--Luce link on the difference of cumulative (unobserved) rewards. Under kernel-based assumptions on the reward and transition functions (one of the most general models amenable to theoretical analysis) we develop preference-based value estimation and confidence sets tailored to end-of-episode comparisons. We prove high-probability regret bounds that scale sublinearly in the number of episodes, implying that the value of the learned policy converges to that of the optimal policy.