Authors: Dzung Pham, Kleomenis Katevas, Ali Shahin Shamsabadi, Hamed Haddadi
Abstract: Autonomous agents powered by large language models (LLMs) are increasingly used to automate complex, multi-step tasks such as coding or web-based question answering. While remote, cloud-based agents offer scalability and ease of deployment, they raise privacy concerns, depend on network connectivity, and incur recurring API costs. Deploying agents locally on user devices mitigates these issues by preserving data privacy and eliminating usage-based fees. However, agentic workflows are far more resource-intensive than typical LLM interactions. Iterative reasoning, tool use, and failure retries substantially increase token consumption, often expending significant compute without successfully completing tasks. In this work, we investigate the time, token, and energy overhead of locally deployed LLM-based agents on consumer hardware. Our measurements show that agentic execution increases GPU power draw, temperature, and battery drain compared to single-inference workloads. To address this inefficiency, we introduce AgentStop, a lightweight efficiency supervisor that predicts and preemptively terminates trajectories unlikely to succeed. Leveraging low-cost execution signals, such as token-level log probabilities, AgentStop can reduce wasted energy by 15-20% with minimal impact on task performance (<5% utility drop) for challenging web-based question answering and coding benchmarks. These findings position predictive early termination as a practical mechanism for enabling sustainable, privacy-preserving LLM agents on user devices. Our project code and data are available at https://github.com/brave-experiments/AgentStop.
Authors: Yi Xie, Siao Liu, Falong Fan, Yuanqi Yao, Yue Zhao, Bo Liu
Abstract: Multi-agent LLM systems have shown promise for complex reasoning, yet recent evaluations reveal they often underperform single-model baselines. We identify a structural failure mode in sequential fine-tuning of shared-context teams: updating one agent shifts the team's context distribution, and when subsequent updates are evaluated on cached rollouts, this mismatch compounds. We formalize this as the compounding occupancy shift and prove that stale-occupancy evaluation incurs a penalty that scales quadratically with the number of agents. In contrast, intermediate-occupancy evaluation reduces this to linear scaling. We propose TeamTR, a trust-region framework that resamples trajectories after each component update and enforces per-agent divergence control, yielding rigorous per-update and per-stage improvement lower bounds. Experiments show that TeamTR outperforms single-agent and sequential baselines with 7.1% on average, mitigates coordination regressions, and supports plug-and-play component replacement. Code is available at https://github.com/Yydc/TeamTR.
Authors: Plawan Kumar Rath, Rahul Maliakkal
Abstract: Large Language Models are routinely compressed via post-training quantization to reduce inference costs and memory footprint for cloud and edge deployment, yet the impact of this compression on model quality remains poorly understood. Existing studies typically compare only two conditions (full-precision vs. a single quantized variant), rely on aggregate bias metrics, and evaluate a single model family, making it impossible to distinguish gradual degradation from threshold-dependent safety failures. We conduct a controlled empirical study of three instruction-tuned models (Qwen2.5-7B, Mistral-7B, Phi-3.5-mini) at five precision levels (BF16 through 3-bit) on 12,148 BBQ bias benchmark items across 5 random seeds, totaling 911,100 inference records. Our results reveal that 3-bit quantization causes 6-21% of previously unbiased items to develop new stereotypical behaviors, following a clear dose-response pattern confirmed via logistic regression, while models' willingness to select "unknown" answers declines by 17.4%. Crucially, these item-level changes are invisible to standard quality metrics: perplexity increases by less than 0.5% at 8-bit and under 3% at 4-bit across all three models, yet 2.5-5.6% of items already develop new biases at 4-bit. These findings demonstrate that aggregate evaluation metrics systematically miss fairness-critical degradation, underscoring the need for quality-aware compression protocols that explicitly test for bias emergence before deployment.
Authors: Haoran Li, Tobias Lehrer, Yingxue Zhao, Haosu Zhou, Philipp Stocker, Tobias Pfaff, Nan Li
Abstract: Nonlinear finite element crash simulations are accurate but computationally expensive, limiting their use in iterative design optimisation. Machine-learning surrogate models based on graph neural networks (GNNs) offer a faster alternative. Message-passing GNNs are widely used for mesh simulation, and their shared node and edge update functions are relatively generalisable across varying graph structures. By contrast, non-shareable edge-specific aggregation layers can capture nonlinear relationships more accurately but usually require fixed graph connectivity, which limits generalisability. This paper presents Mask-Morph Graph U-Net (MMGUNet), a practical approach to addressing the limitation of hierarchical Graph U-Net architectures that use edge-specific downsampling and upsampling layers. Fixed coarse graph connectivity is required for edge-specific layers. To retain this while improving spatial correspondence, the proposed method morphs the coarsened graph hierarchy to each input mesh using feature-aligned barycentric parameterisation before constructing cross-graph edges. It further applies node masking during supervised pretraining, followed by parameter-efficient fine-tuning in which high-parameter edge-specific layers are frozen. The proposed approach is evaluated in in-distribution, out-of-distribution, and cross-component transfer settings using mean Euclidean distance and maximum intrusion percentage error. Results show that coarse-graph morphing improves test accuracy relative to a fixed-coarse-graph baseline, while masked supervised pretraining reduces the train-test discrepancy and improves data efficiency during transfer. The proposed model also achieves lower prediction error compared with external baselines. These results demonstrate a practical route toward reusable, data-efficient mesh-based surrogate modelling for crashworthiness design exploration.
Authors: Wugeng Zheng, Ziwen Kan, Tianlong Chen, Chen Chen, Song Wang
Abstract: Multimodal physiological data powers clinical AI systems from intensive care units to wearable devices, but sensors routinely fail in practice. Two failure modes are common: modality missing, where an entire channel is absent, and within-modality missing, where a contiguous time segment is lost. No existing benchmark evaluates multiple fusion architectures under both failure modes at controlled severity levels across diverse clinical datasets. We present MuteBench, a benchmark covering 9 datasets from 7 clinical domains, 6 fusion architectures, and 2 missing-data modes over 125,000 samples. Through this benchmark, we find that architecture family is the strongest predictor of robustness, outweighing parameter count. Channel-independent models tolerate modality missing well but can be sensitive to within-modality missing, especially on short sequences. Curriculum modality dropout protects reliably only up to the maximum dropout rate used in training. We also find that channel count, sequence length, and modality alignment jointly determine which failure mode poses the greater threat. Finally, a PTB-XL case study suggests that diffusion-based imputation can improve downstream classification under within-modality missing, with the largest gains for models whose expert routing is most sensitive to corrupted inputs, though broader validation across datasets remains an open direction. MuteBench provides practitioners with concrete guidance for both selecting existing architectures and informing the design of future robust multimodal fusion methods.
Authors: Yu Fu, Longxuan Yu, Haz Sameen Shahgir, Zhipeng Wei, Hui Liu, N. Benjamin Erichson, Yue Dong
Abstract: Safety alignment often improves robustness to harmful queries at the cost of reasoning ability, a tradeoff known as the safety tax. A common cause is distributional mismatch: supervised fine-tuning trains the target model on safety demonstrations produced by humans, external models, or fixed self-generated traces, rather than on trajectories sampled from its own policy. We identify off-policy training mismatch as a second source of this tax and study on-policy self-distillation for safety alignment, which we call OPSA. The model generates its own rollouts and receives dense per-token KL supervision from a frozen teacher copy of itself conditioned on a privileged safety context. Because this teacher must be safer than the sampled student trajectory, we introduce \emph{teacher flip rate}: a criterion that measures how often a privileged context converts unsafe responses into safe ones. We use this signal to search for contexts that activate latent safety reasoning rather than merely elicit safe-looking demonstrations. Across two reasoning-model families and five model scales, OPSA achieves a stronger safety--reasoning tradeoff than off-policy self-distillation and external-teacher distillation under matched data and full-parameter fine-tuning, with the largest gains on smaller models (+8.85 points on R1-Distill-1.5B and +5.49 points on Qwen3-0.6B). The gains persist across training-set sizes and adaptive jailbreak evaluations. Token-level analyses further show that OPSA concentrates updates near early compliance-decision tokens, providing a mechanism for improving safety while preserving general reasoning.
Authors: Abolfazl Zarghani, Amir Malekesfandiari
Abstract: The reliability of Healthcare Information Systems (HIS) is frequently compromised by human-induced data entry errors, which existing statistical anomaly detection methods fail to distinguish from legitimate clinical extremes. This paper proposes Logic-GNN, a novel neuro-symbolic framework that treats clinical records as a structured ``private language'' governed by latent logical games. By integrating Temporal Graph Neural Networks (TGNN) with Graph Kolmogorov Complexity, we induce a symbolic grammar that represents the underlying logic of medical interactions. We define anomalies as ``grammatical violations'' that cause a significant expansion in the Minimum Description Length (MDL) of the clinical graph. Evaluated on the Sina System dataset (2M+ records), Logic-GNN achieves an F1-score of 0.94, outperforming state-of-the-art baselines by 12\% in distinguishing between life-threatening medical outliers and data corruption. Our approach introduces a self-healing mechanism that suggests logical corrections to maintain data integrity in real-time HIS environments.
Authors: Ziyu Xu, Zijian Zhang, Liang Wang, Zhiyuan Liu, Qiang Liu, Shu Wu, Liang Wang
Abstract: When reliable target structures are unavailable at scale or phenotypes arise from dysregulated pathways, transcriptomic perturbations provide a system-level functional readout for drug action. In this work, we formalize \emph{Transcriptome-based Drug Design (TBDD)} as a generative inverse problem: designing drug molecules conditioned on desired transcriptomic state transitions. We analyze the inherently ill-posed nature of this task, which is further complicated by the profound domain gap between biology and chemistry and by the sparsity of transcriptomic signals. To address these challenges, we propose \textbf{\themodel{}} (A \textbf{C}ell\textbf{U}lar \textbf{R}esponse \textbf{E}ngine), a multi-resolution transcriptome-guided diffusion framework. \themodel{} features a specialized \textbf{Transcriptome Perturbation Functional Feature Extractor (TFE)} that (1) distills function-oriented perturbation embeddings from pre/post states, (2) aligns these signatures to dual chemical views to bridge the cross-modal gap, and (3) performs heterogeneity-aware aggregation to extract robust state-specific signals from noisy transcriptomic data. Extensive evaluations on both standard benchmarks and rigorous out-of-distribution protocols demonstrate that \themodel{} consistently outperforms strong baselines in structural quality and functional consistency. Furthermore, we validate its practical utility via a zero-shot gene-inhibitor design task, highlighting the potential of phenotype-driven generative discovery.
Authors: Stavros Bouras, Ioannis Kontopoulos, Chiara Pugliese, Francesco Lettich, Emanuele Carlini, Hanna Kavalionak, Chiara Renso, Konstantinos Tserpes
Abstract: Trajectory data is fundamental to modern urban intelligence, yet its sensitivity raises significant privacy concerns. Generative models such as Generative Adversarial Networks, Variational Autoencoders, and Diffusion Models have been developed to generate realistic synthetic trajectory data by capturing underlying spatiotemporal distributions and mobility patterns. Although these models are often assumed to preserve privacy due to their generative nature, this assumption does not necessarily hold. In this work, we investigate the intersection of generative trajectory modeling and privacy evaluation. By identifying applicable empirical methods for assessing privacy preservation in trajectory generation tasks, we demonstrate a significant gap in the evaluation of privacy for generative trajectory models. Motivated by this gap, we implement Membership Inference Attacks against representative models, demonstrating the feasibility of using such empirical privacy evaluation methods and showing that their generative nature does not eliminate privacy risks.
Authors: Fanxu Meng
Abstract: Multi-head Latent Attention (MLA), the attention used in DeepSeek-V2/V3, jointly compresses keys and values into a low-rank latent and matches the H100 roofline almost perfectly. Its trained weights, however, expose only one decoding path - an absorbed MQA form - which ties efficient inference to H100-class compute-bandwidth ratios, forfeits tensor parallelism along the head axis, and yields no Multi-Token Prediction (MTP) gain on commodity inference GPUs such as the export-restricted H20. We propose Group-Query Latent Attention (GQLA), a minimal modification of MLA whose trained weights expose two algebraically equivalent decoding paths over the same parameters: an MQA-absorb path identical to MLA's, and a GQA path with a per-group expanded cache. The runtime picks the path that matches the target hardware - no retraining, no custom kernels - so a single set of GQLA weights pins the rooflines of both H100 (MQA-absorb, s_q=1) and H20 (GQA + MTP, s_q=2), while supporting up to 8-way zero-redundancy tensor parallelism on the GQA path. To avoid pretraining from scratch we extend TransMLA into TransGQLA, which converts a pretrained GQA checkpoint into a GQLA model; on LLaMA-3-8B it compresses the per-token KV cache to 28.125% of the GQA baseline on the MQA-absorb path while structurally preserving GQA-level traffic on the per-group path.
Authors: Peter Bauer, Andreas Porada, Felix Ott, Christopher Mutschler, Tobias Feigl
Abstract: Modern pedestrian dead reckoning (PDR) systems rely on fusing noisy and biased estimates of position, velocity, and calibrated orientation derived from loosely coupled sensors to determine the current pose of a localized object. However, discrepancies in the sampling rates of sensor-specific estimation methods and unreliable transmission pose significant challenges. And traditional methods often fail to effectively fuse multimodal sensor data during dynamic movements characterized by high accelerations, velocities, and rapidly varying orientations. To address these limitations, we propose a simple recurrent neural network (RNN) architecture capable of implicitly forecasting asynchronous sensor data streams from diverse estimation methods along reference trajectories. The proposed approach introduces PDRNN, a modular hybrid AI-assisted PDR system that handles each component as an independent ensemble of machine learning (ML) models to estimate both key parameter means and variances. Separate ML-based models are employed to estimate orientation, (un)directed velocity or distance from acceleration and gyroscope data, with optional absolute positioning from synchronized radio systems such as 5G for stabilization. A final fusion model combines these outputs, position, velocity, and orientation, while using uncertainty estimates to enhance system robustness. The modular design allows individual components to be updated, fine-tuned, or replaced without affecting the entire system. Experiments on dynamic sports movement data show that PDRNN achieves superior accuracy and precision compared to classic and ML-based methods, effectively avoiding error accumulation common in black-box approaches. And PDRNN offers forecast capabilities and better component control despite increased system complexity.
Authors: Jairo Diaz-Rodriguez
Abstract: Machine learning research increasingly bifurcates into two disconnected modes: benchmark-driven engineering that prioritizes metrics over understanding, and idealized theory that often fails to transfer to modern systems. In this position paper, we argue that the field focuses too heavily on these endpoints, neglecting the central scientific object: the idea. We propose an Ideas First framework in which ideas are valued for the behavioral signatures they predict in modern models, and these signatures are tested through tailored experiments designed to detect the relevant patterns rather than to win leaderboards. This shift not only bridges the gap between theory and practice but also promotes equity by removing the "complexity premium," enabling rigorous scientific contributions from researchers with modest computational, financial, and human resources. Ultimately, we advocate for a research culture centered on ideas, treating benchmarks and theorems as instruments for testing mechanistic hypotheses rather than as ends in themselves.
Authors: Xujia Chen, Xinyue Hu, Letian Chen, Daming Shi, Wenhui Fan
Abstract: Physics-Informed Neural Networks (PINNs) combine deep learning with physical constraints for solving partial differential equations (PDEs), and are widely applied in fluid mechanics, heat transfer, and solid mechanics. However, PINN training still suffers from high-dimensional non-convex loss landscapes, imbalanced multiobjective constraints, and ineffective information propagation. Existing curriculum learning and causality-guided strategies improve training stability, but mainly focus on temporal or parametric progression, lacking explicit treatment of spatial information propagation and inter-region consistency. Moreover, they are not directly applicable to boundary value problems (BVPs) with strong spatial coupling. To address this issue, we propose a spatially correlated curriculum learning framework for PINNs. To the best of our knowledge, this is the first work to address PINN training difficulties from the perspective of spatial coupling among subregions. First, spatial causal weights guide information from near-boundary regions inward, reducing optimization failures and spurious convergence. Second, a low-frequency information bridge enforces pseudo-label-based consistency across spatially separated regions, suppressing global low-frequency drift. Third, a region-adaptive reweighting strategy adjusts subregion losses to reduce local residuals and recover high-frequency details. Experiments on PDE benchmarks show that, under comparable computational cost, the proposed method alleviates training failures and improves solution accuracy. The code is available at https://github.com/pigofmomo/CurriculumLearningPINN.
Authors: Reilly Haskins, Bilal Chughtai, Joshua Engels
Abstract: Chain-of-thought (CoT) monitoring is one of the most promising tools we have for detecting model misbehavior, but its effectiveness depends on models faithfully externalizing their reasoning. Motivated by this vulnerability, we study whether monitor-aware models are capable of obfuscating their reasoning to evade detection. We use synthetic document finetuning to expose eight models to realistic pre-training-style documents describing a CoT monitor and find that monitor-aware models consistently achieve higher rates of undetected misbehavior compared to unaware controls. This effect is weaker but still present on a harder agentic task. We also show that CoT controllability, a model's ability to reshape its own reasoning trace under an imposed constraint, is closely correlated with obfuscation success across the eight models studied ($r=0.800$, $p=0.017$). Monitor-aware models placed under equal reinforcement learning optimization pressure also learn to reward-hack without triggering a CoT monitor substantially faster than unaware controls. Together, these results suggest that knowledge of monitoring combined with high CoT controllability poses a risk to CoT-based monitoring.
Authors: Qiang Liu, Felix Koehler, Benjamin Holzschuh, Nils Thuerey
Abstract: We introduce Tadpole, a novel foundation model for three-dimensional partial differential equations (PDEs) that addresses key challenges in transferability, scalability to high dimensionality, and multi-functionality. Tadpole is pre-trained as an autoencoder on synthetic 3D PDE data generated by an efficient online data-generation framework. This enables large-scale, diverse training without storage or I/O overhead, demonstrated by scaling to an equivalent of hundreds of terabytes of training data. By autoencoding single-channel spatial crops, Tadpole learns rich and transferable representations across heterogeneous physical systems with varying numbers of state variables and spatial resolutions. Although pre-trained solely as an autoencoder, Tadpole can be efficiently applied for multiple downstream tasks beyond reconstruction, including dynamics learning and generative modeling. For dynamics learning, we propose a novel parameter-efficient fine-tuning strategy that integrates low-rank adaptation, latent-space transformations, and reintroduced skip connections, achieving accurate temporal modeling with a minimal number of trainable parameters. Tadpole demonstrates strong fine-tuning performance across various downstream tasks, highlighting its versatility and effectiveness as a foundation model for 3D PDE learning. Source code and pre-trained weights of Tadpole are available at https://github.com/tum-pbs/tadpole
Authors: Filippo de Feo
Abstract: Derivative-Informed Operator Learning (DIOL), i.e. learning a (nonlinear) operator and its derivatives, is an open research frontier at the foundations of the influential field of Operator Learning (OL). In particular, Universal Approximation Theorems (UATs) of nonlinear operators and their derivatives are foundational open questions and delicate problems in nonlinear functional analysis. In this manuscript, we prove the first UATs of non-linear $k$-times differentiable operators between Banach spaces and their derivatives, uniformly on compact sets and in weighted Sobolev norms for general finite input measures, via OL architectures. Our results are the first complete generalizations of the corresponding influential classical results in [Hornik, 1991] to infinite-dimensional settings and OL. We discuss several open areas where DIOL and our UATs find applications: high-order accuracy in OL, fast constrained optimization in Banach spaces (e.g. optimal control of PDEs, inverse problems) and numerical methods for infinite-dimensional PDEs (e.g. HJB PDEs on Banach spaces from optimal control of PDEs, SPDEs, path-dependent systems, partially observed systems, mean-field control). We parameterize nonlinear operators via Encoder-Decoder Architectures, renowned classes in OL due to their generality, including classical architectures, such as DeepONets, Deep-H-ONets, PCA-Nets. Our results are based on four key features that allow us to prove UATs in full generality: (i) Approximation Properties of Banach spaces. (ii) $k$-times continuous differentiability in the sense of Bastiani (weaker than $k$-times continuous Fr\'echet differentiability). (iii) Natural compact-open topologies for UA; indeed, we show that UA in standard compact-open topologies induced by operator norms is violated even for Fr\'echet derivatives. (iv) Construction of novel weighted Sobolev spaces for the UA.
Authors: Kyle R. Chickering, Huijuan Wang, Mengxi Wu, Alexander Moreno, Muhao Chen, Xuezhe Ma, Daria Soboleva, Joel Hestness, Zhengzhong Liu, Eric Xing
Abstract: Hyperparameter transfer across model architectures dramatically reduces the amount of compute necessary for tuning large language models (LLMs). The maximal update parameterization ({\mu}P) ensures transfer through principled mathematical analysis but can be challenging to derive for new model architectures. Building on the spectral feature-learning view of Yang et al. (2023a), we make two advances. First, we promote spectral norm conditions on the weights from a heuristic to the definition of feature learning, and as a consequence arrive at the Complete-P depth and weight-decay scalings without recourse to lazy-learning. Second, we consider a modified spectral norm that preserves the valid scaling law of network weights when weight matrices are not full rank. This enables (to our knowledge, the first) derivation of {\mu}P scalings for grouped-query attention (GQA). We demonstrate the efficacy of our theoretical derivations by showing learning rate transfer across the GQA repetition hyperparameter as well as experiments regarding transfer over weight decay.
Authors: Gideon Popoola, John Sheppard
Abstract: Machine learning (ML) algorithms are increasingly deployed in high-stakes decision-making domains such as loan approvals, hiring, and recidivism predictions. While existing fairness metrics (e.g., statistical parity, equal opportunity) effectively quantify outcome-oriented disparities, they offer limited insight into the procedure or explanation behind biased decisions. To address this gap, we propose Group-level Explanation Stability Disparity (GESD), a \textit{procedural-oriented} fairness metric that measures disparities in the stability, robustness, and sensitivity of model explanations across different subgroups in a protected category. %GESD is explainer-agnostic, model-agnostic, and extends the scope of fairness analyses to the level of explainability. We further integrate GESD into a multi-objective optimization framework that jointly optimizes for utility, outcome-based fairness, and explanation-based fairness called FEU (Fairness--Explainability--Utility). Empirical results on multiple benchmark datasets show that GESD effectively captures group-wise discrepancies in explanation quality, and that FEU improves both utility and fairness over state-of-the-art methods. By bridging outcome-based and explanation-based fairness, GESD offers a comprehensive tool for diagnosing and mitigating bias in predictive modeling. Our code and datasets are available on GitHub {\hyperlink{https://github.com/horlahsunbo/GESD}{https://github.com/horlahsunbo/GESD}}
URLs: https://github.com/horlahsunbo/GESD, https://github.com/horlahsunbo/GESD
Authors: Tianxiao He, Alex H. Williams, Sarah E. Harvey
Abstract: Data augmentation is widely recognized for improving generalization in deep networks, yet its impact on the geometry of learned representations remains poorly understood. In this work, we characterize how different data augmentation strategies reshape internal representations in neural networks. Using tools from shape analysis, we embed network hidden representations into a metric space where distance is invariant to scaling, translation, rotation and reflection. We show that increasing augmentation strength leads to well-behaved trajectories in this space, and that different augmentation types steer representations in distinct directions. Moreover, we investigate how neural representation shapes are distorted along data augmentation trajectories, and show that insights from neural geometry can predict which representations provide the most improvement when ensembling models. Our results reveal shared geometric patterns across architectures and seeds, and suggest that analyzing shape-space trajectories offers a principled tool for understanding and comparing data augmentation methods.
Authors: Sanja Karilanova, Subhrakanti Dey, Ay\c{c}a \"Oz\c{c}elikkale
Abstract: The identification and modeling of time-varying systems is a fundamental challenge in signal processing and system identification. To address this challenge, we propose a class of time-varying state-space model (SSM) based neural networks in which the neurons' states are governed by time-varying dynamics. The proposed model provides the learnable time-varying dynamics through a dictionary of basis functions, where each basis function evolves differently over time. We evaluate the proposed approach on both synthetic data from switching systems and a speech denoising task where real audio is corrupted with switching dynamics noise. The results show that the proposed time-varying model consistently outperforms its time-invariant counterparts while maintaining comparable computational complexity. Our investigations also reveal which aspects of the time-varying dynamics of the data most need to be captured by the proposed time-invariant models, how the additional freedom provided by time-varying basis functions should be allocated across model components, and to what extent larger models can compensate for time-invariant limitations.
Authors: Antesh Upadhyay, Arda Fazla, Abolfazl Hashemi
Abstract: We study nonconvex stochastic optimization under the Blum-Gladyshev ($\mathsf{BG}$-0) noise model, where the stochastic gradient variance grows quadratically with the distance from the initialization. We consider this problem under both standard smoothness and the symmetric generalized-smoothness framework, which captures objectives whose local curvature can scale with the gradient norm. We prove that normalized stochastic gradient descent with momentum, using only one stochastic gradient per iteration, converges under $\mathsf{BG}$-0 noise with oracle complexity $O(\varepsilon^{-6})$. This rate holds both for standard smoothness and for $\alpha$-symmetric generalized smoothness, showing that generalized smoothness is rate-neutral for normalized momentum in this setting. We then study a variance-reduced normalized STORM method. Under mean-square smoothness and sharp initialization, the method achieves the minimax optimal $O(\varepsilon^{-4})$ complexity, matching the lower bound. Under expected $\alpha$-symmetric generalized smoothness, the STORM recursion couples gradient-dependent smoothness with distance-dependent noise, leading to complexity $O(\varepsilon^{-(4+\alpha)})$ for $\alpha\in(0,1)$ and $O(\varepsilon^{-5})$ for $\alpha=1$. When the distance-growth parameter in the noise model vanishes, our guarantees recover the standard bounded-variance rates: $O(\varepsilon^{-4})$ for momentum, $O(\varepsilon^{-3})$ for variance reduction, and $O(\varepsilon^{-2})$ in the deterministic case. To our knowledge, these are the first convergence guarantees for normalized methods in non-convex stochastic optimization under $\mathsf{BG}$-0 noise without bounded domains, increasing batch sizes, or explicit anchoring, covering both standard and generalized smoothness regimes.
Authors: Thodoris Lymperopoulos, Denia Kanellopoulou
Abstract: Fully Connected Neural Networks (FCNNs) are often regarded as simple and intuitive architectures, yet they serve as the foundation for more complex models. Nonetheless, the lack of consensus on their interpretability continues to pose challenges, underscoring the enduring relevance of simpler, attribution-based approaches for understanding even the most advanced neural architectures. In this regard, we explore a novel idea for estimating feature attribution, by applying perturbation to the features' attached weights instead of their values. This method offers a fresh perspective aimed at mitigating common limitations in Occlusion techniques, such as Added Bias and Out-of-Distribution data. The application of this rule leads to the formation of a pair of novel attribution methods we call XWP and XWP_c. Founded on simple rules, our methods achieve competitive performance in identifying image signals for simple DNNs, competing with the most established attribution methods on standard baseline metrics. Our work thus contributes to the field of Explainability by introducing a robust framework that paves the way for addressing these long-standing vulnerabilities, and leads to more reliable and interpretable model explanations.
Authors: Yihong Dong, Jiaru Qian, Haoran Zhang, Peixu Wang, Binhua Li, Zhi Jin, Yongbin Li, Ge Li, Xiaokang Yang, Xue Jiang
Abstract: The automatic synthesis of a program from any form of specification is regarded as a holy grail of computer science. Fueled by LLMs, NL2Code has achieved tremendous success, yet the fundamentally more challenging task of synthesizing programs from input-output behavior, which we refer to as IO2Code, remains largely unsolved. Whereas NL2Code can exploit the semantic alignment between natural language and code acquired during pretraining, IO2Code requires recovering underlying principles from concrete computational behavior, navigating a vast and underspecified hypothesis space. To address this, we propose DIO-Agent, a discovery agent for IO2Code. Our method frames IO2Code as an evolutionary search over discrete program space, in which an LLM serves as the mutation operator and concrete error signals from execution guide each mutation. To prevent the search from wandering into structurally complex yet incorrect dead ends, we introduce the Transformation Priority Premise as a mutation prior that biases the LLM toward the simplest hypothesis consistent with current evidence, progressively escalating from constants to conditionals to iteration only when simpler constructs are insufficient. To facilitate systematic study, we further construct an IO2CodeBench spanning multiple difficulty levels. Extensive experiments show that DIO-Agent consistently outperforms both traditional program-by-example method and SOTA evolution-agent baselines across all difficulty levels and various LLMs, while substantially surpassing test-time scaling strategies with equivalent sampling budgets.
Authors: Pedro A. Ortega
Abstract: A learner does not only fit data; it also determines how strongly the training sample may shape its output and how much distortion it can hedge. We study this relation as a bounded-rational decision problem whose primitive object is the induced channel from samples to outputs. The learner's response law determines which changes in this channel are cheap or costly, and therefore induces both a lower tradeoff curve between training loss and sample dependence and a matched upper certificate curve. When the response law is represented by an $f$-divergence regularizer, these curves live in the regularizer's native information geometry, with KL as the special case corresponding to Shannon mutual information. We show how the hedge and the two curves can be recovered from black-box behavior by observing responses to scaled losses and local loss perturbations. In learning, population loss is empirical loss plus the distortion induced by the particular training sample. The recovered hedge gives a practical certificate when it covers that distortion. Thus generalization is treated as a testable hedging property of the learner's own response law.
Authors: Marilyn Zhang, Tianfeng Chen, Fabi\'an Barzuna, Ankita Rathod, Mark E. Whiting
Abstract: LLMs are increasingly deployed in autonomous laboratories, under the assumption that their domain priors and reasoning over iterative feedback let them converge on good designs in fewer iterations than feedback-only baselines. Current iterative scientific design benchmarks, however, score only outcome snapshots at fixed horizons. This leaves the learning trajectory unmeasured, even though the trajectory is what captures learning efficiency, where each iteration saved is a real saving in cost and time. Motivated by this, we examine three evaluation choices that change the conclusions one draws about LLM learning efficiency in iterative scientific design: what to measure, what baseline to compare against, and what to ground against. We introduce LEAPBench, Learning Efficiency in Adaptive Processes, a 55-task framework that pairs a best-so-far area under the curve (AUC) trajectory metric with a classical Bayesian-optimization reference and an audit grounded in published literature. Applied to eight contemporary LLMs, switching from final-outcome to trajectory scoring changes the best-model decision on 53% of tasks at matched horizons, and exposes efficiency gains overlooked by outcome-based scoring. LLMs do not outperform a classical Bayesian baseline. On 16 biology tasks where the oracle's reward signal is aligned with configurations from the published-best design, domain-aware prompting leads to LLM choices that match the published-best's approximately 10 percentage points less often than domain-agnostic prompting at iteration 30. The pattern is sharpest on 6 tasks where the literature-typical and published-best configurations diverge, and domain-agnostic prompting matches the published-best more often on all 6. The trajectory metric also doubles as a tractable training target. Offline reinforcement learning with the metric as a reward improves performance on 14 of 21 held-out tasks.
Authors: Ramon Vi\~nas Torn\'e, S\'ilvia F\`abregas Salazar, Soyon Park, Ivo Alexander Ban, Artyom Gadetsky, Nikita Doikov, Maria Brbi\'c
Abstract: Inferring the structure of directed acyclic graphs (DAGs) from data is a central challenge in causal discovery, particularly in modern high-dimensional settings where large-scale interventional data are increasingly available. While interventional data can improve identifiability, existing methods remain limited by soft acyclicity constraints, leading to optimization over invalid cyclic graphs, numerical instability, and reduced scalability. We introduce PACER (Perturbation-driven Acyclic Causal Edge Recovery), a scalable framework for causal discovery that guarantees acyclicity by construction. PACER parameterizes a distribution over DAGs through a joint model of variable permutations and edge probabilities, enabling direct optimization over valid causal structures without surrogate penalties. The framework supports a unified likelihood-based treatment of observational and interventional data, flexible conditional density models, and the incorporation of structural prior knowledge. For linear-Gaussian mechanisms, we derive closed-form expressions for the expected interventional log-likelihood and its gradients, yielding substantial computational gains. Empirically, PACER matches or exceeds state-of-the-art methods on protein signaling and large-scale genetic perturbation benchmarks, while scaling efficiently to networks with thousands of variables and achieving up to two orders of magnitude speedups over penalty-based differentiable approaches. These results demonstrate that exact and scalable causal discovery from high-dimensional perturbation data is achievable through principled search space design.
Authors: Yihan Zhu, Yuhan Liu, Weijiang Li, Tengfei Luo, Meng Jiang
Abstract: Despite the success of foundation models in language and vision, molecular graph generation still lacks a unified framework for heterogeneous design tasks with reliable controllability. While reinforcement learning (RL) offers a natural post-training mechanism for task-specific optimization, applying it to graph generative models is hindered by the vast atom-wise action spaces and chemically invalid intermediate states. We propose \textbf{Co}ntrollable \textbf{Mole}cular Generative Foundation Models (CoMole), built with a unified motif-aware graph diffusion pipeline. By learning a motif-aware graph space, CoMole transfers pretrained structural priors into controllable generation, where RL optimizes conditional reverse policies over chemically meaningful decisions. We theoretically characterize the bottleneck of atom-level RL and justify motif-aware policy optimization. Across three heterogeneous benchmarks spanning materials and drug discovery, CoMole ranks first in controllability on all nine targets, reduces MAE by up to 48.2% relative to the strongest baselines, and maintains validity above 0.94 without rule-based correction or post-hoc filtering. We further show that CoMole transfers controllability to unseen properties by optimizing only task embeddings with the generator frozen, achieving performance competitive with strong task-specific baselines.
Authors: Sanja Karilanova, Subhrakanti Dey, Ay\c{c}a \"Oz\c{c}elikkale
Abstract: Spiking neural networks (SNNs) are biologically inspired energy-efficient models that use sparse binary spike-based communication between neurons, making them attractive for resource-constrained edge devices. Federated learning enables such devices to train collaboratively without sharing raw data. In time-series applications, edge devices often collect data at different time resolutions due to hardware and energy constraints. This temporal heterogeneity poses a fundamental challenge for federated learning: parameters learned at one temporal resolution do not necessarily transfer directly to another, which might result in the naive federated averaging being ineffective. Targeting SNNs and, more broadly, deep networks with stateful neurons, we propose a federated learning framework that addresses this temporal resolution mismatch. We investigate how neuron parameters learned from data at different temporal resolutions and model aggregation should be integrated. We evaluate the proposed framework across two SNN-native benchmark datasets (SHD and DVS-Gesture) under a range of resolution heterogeneity scenarios. Our results show that the proposed adaptation methods can substantially recover accuracy lost due to temporal mismatch, hence enabling each client to train at their local temporal resolution while remaining compatible with the global model.
Authors: Saad Masrur, Yuxuan Jiang, Matti Hiltunen, Ajay Rajkumar, Ismail Guvenc
Abstract: Accurate forecasting of residual Physical Resource Blocks (PRBs) is critical for proactive network slice provisioning, energy-efficient operation, and spectrum-aware decision making in cellular systems, where residual PRBs serve as a practical proxy for short- and medium-term spectrum availability. Existing PRB prediction methods typically rely only on historical PRB values and are trained independently per carrier or sector, limiting their ability to capture cross-carrier dependencies and providing no measure of forecast uncertainty. Moreover, point forecasts alone are insufficient for robust spectrum-aware control under highly variable traffic conditions. This paper proposes PRB-RUPFormer, a recursive unified probabilistic Transformer for residual PRB forecasting. The proposed model jointly processes multivariate KPI time series using temporal, seasonal, and carrier-aware embeddings, preserving inter-metric temporal coupling during recursive rollout and stabilizing long-horizon forecasting. A single shared model is trained across all carriers and sectors of an eNB, enabling efficient learning of joint traffic dynamics with low computational overhead. Forecast uncertainty is captured through quantile-based prediction intervals, providing confidence-aware estimates of future PRB availability. Evaluations on six months of commercial LTE network data from multiple U.S. locations demonstrate median MAE below 0.05 and hit probabilities above 0.80 for both one-day and seven-day recursive forecasts. These probabilistic predictions directly support spectrum-aware RAN functions such as dynamic carrier activation, congestion avoidance, and proactive spectrum sharing, making the proposed framework well-suited for dynamic spectrum access scenarios.
Authors: Songwei Dong, Zihan Chen, Chengshuai Shi, Peng Wang, Jundong Li, Cong Shen
Abstract: Memory plays a central role in enabling large language models (LLMs) to operate over sequential tasks by accumulating and reusing experience over time. However, existing evaluations of LLM memory mostly rely on aggregate metrics such as final hold-out accuracy or cumulative online performance, which can obscure critical failure modes such as forgetting and negative transfer. In this paper, we introduce SeqMem-Eval, a diagnostic evaluation framework for sequentially evolving LLM memory. Drawing inspiration from continual learning, it targets a test-time setting in which memory is external, prompt-mediated, and updated without modifying model parameters. Rather than focusing only on final performance, SeqMem-Eval evaluates how memory states evolve, generalize, consolidate experience, and retain useful information during sequential inference. Specifically, it measures online utility, hold-out generalization, backward transfer, and forgetting, providing a finer-grained view of memory quality. Through extensive experiments across diverse tasks and memory methods, we show that higher final or cumulative accuracy does not necessarily imply better memory quality: many methods exhibit strong performance gains while suffering from substantial forgetting or negative transfer. Moreover, different memory designs exhibit distinct trade-offs between adaptability and stability that remain invisible under standard evaluation metrics.
Authors: Zhankun Luo, Antesh Upadhyay, M. Berk Sahin, Sang Bin Moon, Anuran Makur, Abolfazl Hashemi
Abstract: Stochastic estimators are fundamental to large-scale optimization, where population quantities must be inferred from noisy oracle observations. Although influential methods such as momentum, SPIDER, STORM, and PAGE have been highly successful, their analyses are largely estimator-specific and expectation-based, obscuring the structural tradeoffs that determine reliability. In this paper, we develop a unified framework for stochastic variance-reduced estimation based on a recursion with three components: memory retention, reset probability, and a correction term for iterate movement. This framework recovers several classical estimators, motivates new second-order variants, and yields a bias-variance decomposition of estimation error. Our main result is a unified high-probability bound proved using a new dimension-free vector-valued Freedman inequality, valid for smooth normed spaces involving random sums of vector martingales. The result applies in both Euclidean and non-Euclidean settings, including the analysis of mirror-descent-based methods in Banach spaces. As applications, we obtain high-probability oracle complexities for unconstrained optimization with mirror descent, establishing the logarithmic dependence on the confidence level. We also derive the first $\tilde{\mathcal{O}}(\varepsilon^{-3})$ oracle-complexity bounds for stochastic optimization with expectation constraints, improving upon the existing $\tilde{\mathcal{O}}(\varepsilon^{-4})$ complexity by leveraging variance-reduced estimation for the first time in this setting.
Authors: Philipp Mondorf, Samuel J. Bell, Jesse Dodge, Dieuwke Hupkes
Abstract: As large language models (LLMs) are increasingly deployed to perform tasks with minimal human oversight, it is crucial that these models operate robustly. In particular, a model that can solve a given problem should not fail simply because certain entities$\unicode{x2013}$such as names, numbers, or other contextual details$\unicode{x2013}$have changed while the underlying problem logic remains the same. Prior work suggests that current LLMs still struggle with this form of robustness: they often succeed on some variations of a problem but fail on others. However, existing evaluations often lack a systematic way to identify which logic-preserving variations are most likely to induce failure. Instead, they typically test a random subset of allowable variations, which can overstate robustness. To address this gap, we introduce logic-preserving difficulty scaling (LPDS), a framework that (i) quantifies the difficulty of a problem variation and (ii) systematically searches the space of allowable variations to find those that maximize difficulty and expose failures. We show that as difficulty increases, performance declines and errors in the models' reasoning chains become more pronounced. We further demonstrate that LPDS efficiently finds difficult problem variations for a model, resulting in performance drops up to 5 times larger compared to random sampling. Finally, we show that fine-tuning on more difficult variations leads to more consistent robustness gains than training on easier ones.
Authors: Biswa Sengupta
Abstract: Joint-embedding predictive architectures (JEPAs) propose that a model should learn more useful abstractions when trained to predict latent representations rather than observed outputs. For autoregressive language-model fine-tuning the principle entails a stricter requirement: the induced hidden-state geometry must reach the language-model head \emph{and} improve the decoded task metric. We test that requirement under a fixed Llama-3.2-1B-Instruct LoRA harness on natural-language-to-regex generation, comparing twenty-two training-time auxiliaries across trajectory-shape regularisation, distributional constraints, predictor/target asymmetry, Fisher-metric Jacobi residuals, and a decoder-visible JEPA objective constructed to lie in cross-entropy's positive cone. The empirical answer is a structured null: several auxiliaries clear single-cell paired $\alpha = 0.10$ without correction (T3-Local at $\Delta = +2.53$~pp, $p = 0.003$ being the strongest), but none survives Bonferroni or Holm--Bonferroni at the relevant family-wise threshold, even though many change curvature, anisotropy, variance, and gradient direction. Decoder-visible JEPA yields the first positive auxiliary--cross-entropy gradient cosine in the study, yet exact match remains inside seed noise; a full-fine-tuning replication of the same auxiliary at $n = 5$ seeds reproduces the null on both benchmarks (TURK: $\Delta = +0.04$~pp, $p_{\text{paired}} = 0.96$; SYNTH: $\Delta = +0.52$~pp, $p_{\text{paired}} = 0.28$), so the null is robust across LoRA and full fine-tuning for the decoder-visible construction. Hidden-state representation work and decoded-task accuracy are therefore weakly coupled in this regime; we accordingly reframe LLM-domain JEPA evaluation as a coupling problem, in which the operative question is under which metrics useful hidden geometry becomes decoder-visible task signal.
Authors: Yijing Zhang, Nicholas Roberts, Tanya Marwah, Mikhail Khodak
Abstract: Neural surrogate solvers of partial differential equations (PDEs) promise dramatic speedups over numerical methods, especially in scenarios requiring many solves. However, current accuracy-based evaluations do not fully consider two central issues: (1) neural solvers incur substantial up-front costs for data generation, training, and tuning; and (2) classical solvers can also generate low-fidelity solutions at a sufficiently low simulation cost. To explicitly account for these realities and fully incorporate end-to-end costs, we propose an evaluation framework centered on breakeven complexity, a metric that counts the forward solves before a learned solver is cost-effective relative to an error-equivalent traditional solver. To evaluate this measure, we apply scaling laws to determine how much training budget to allocate to data generation and discuss how to achieve smooth error-matching in diverse settings. We evaluate the breakeven complexity of multiple neural PDE solvers on three PDEs on 2D periodic domains from APEBench and a novel benchmark of flows past multiple obstacles generated by the GPU-native PyFR code. Among other findings, our results suggest that neural PDE solvers become more effective as problems get harder in terms of cost, dimension, rollout, physics regime (e.g. higher Reynolds number), etc.
Authors: Lizhang Chen, Jonathan Li, Qi Wang, Runlong Liao, Shuozhe Li, Chen Liang, Ni Lao, Qiang Liu
Abstract: Mixture-of-Experts (MoE) models rely on balanced expert utilization to fully realize their scalability. However, existing load-balancing methods are largely heuristic and operate on noisy mini-batch assignment statistics, introducing bias relative to population-level objectives. We propose $\phi$-balancing, a principled framework that directly targets population-level expert balance by minimizing a strictly convex, symmetric, and differentiable potential of the expected routing distribution. Using convex duality, we derive an equivalent min-max formulation and obtain a simple online algorithm via mirror descent, yielding an efficient EMA-based routing adjustment with negligible overhead. Across large-scale pretraining and downstream fine-tuning, $\phi$-balancing consistently outperforms prior Switch-style and loss-free baselines, demonstrating more stable and effective expert utilization.
Authors: Mahdi Naser Moghadasi, Faezeh Ghaderi
Abstract: Despite the remarkable success of transformer architectures in natural language processing, their scalability limitations remain poorly understood through systematic empirical analysis. This paper presents the first comprehensive large-scale evaluation of 118 transformer models across seven distinct architectural categories, revealing fundamental performance walls that manifest as hard deployment constraints. Our systematic benchmarking methodology uncovers a critical scalability crisis: while 88.1% of models successfully process sequences up to 512 tokens, this drops dramatically to 44.9% at 1024 tokens, with complete failure (0%) at 2048 tokens. Through rigorous analysis of loading times, memory consumption, and computational efficiency across sequence lengths from 128 to 2048 tokens, we demonstrate that compressed models achieve superior parameter efficiency (649.2 tokens/sec/M parameters) compared to large generative models (12.5 tokens/sec/M). Our findings challenge prevailing scaling assumptions and provide the first quantitative evidence that the theoretical O(n2) attention complexity translates into measurable performance walls. This work establishes new benchmarking methodologies for transformer evaluation and provides critical insights for practical deployment decisions in production environments.
Authors: Gaojie Jin, Yong Tao, Lijia Yu, Tianjin Huang
Abstract: Jung et al. (2025) introduce a hypothesis testing framework for guaranteeing agreement between large language models (LLMs) and human judgments, relying on the assumption that the model's estimated confidence is monotonic with respect to human-disagreement risk. In practice, however, this assumption may be violated, and the generalization behavior of the confidence estimator is not explicitly analyzed. We mitigate these issues by learning a dedicated confidence estimator instead of relying on heuristic confidence signals. Our approach leverages simulated annotator diversity and a margin-based ranking formulation to explicitly model how confidently an LLM distinguishes between human-agreement and human-disagreement cases. We further derive generalization guarantees for this estimator, revealing a margin-dependent trade-off that informs the design of an adaptive estimator training procedure. When integrated into fixed-sequence testing, the learned confidence estimator yields improved ranking accuracy and empirically strengthens the monotonic relationship between confidence and disagreement risk, leading to higher success rates in satisfying target agreement levels across multiple datasets and judge models.
Authors: Jake Fawkes, Jason Hartford
Abstract: In GFlowNets and variational inference, it has been shown that the mean square error between target and model log probabilities is an effective, low variance, surrogate loss for training generative models. This loss has the property that when evaluated \emph{on-policy} its gradients correspond to those of the KL divergence, while \emph{off-policy} it remains a valid loss with the same global minimizer. In this work, we demonstrate that this construction can be extended to the whole family of $f$-divergences, leading to a family of losses whose on-policy gradients are that of the corresponding $f$-divergence, but retain the same global minimizer off-policy. Specifically, we show that the on-policy gradients lead to a one to one correspondence between translation invariant loss functions on the target and model log probabilities, and $f$-divergences. This equivalence allows us to design new surrogate loss functions for tuning a wide class of generative models that inherit the properties of the corresponding $f$-divergence, such as being more mode covering, whilst being applicable to off-policy data. We apply our losses on a range of tasks, including classic synthetic examples, SynFlowNets for molecule discovery, and asynchronous large language model (LLM) tuning, demonstrating that our models retain their predicted properties on- and off-policy in a wide class of generative models.
Authors: Shukai Du, Junzhe Zhang, Yiming Li
Abstract: Flow matching trains a neural velocity field by regression against a target velocity associated with a prescribed probability path connecting a simple initial distribution to the data distribution. A central design choice is the path itself. Existing constructions, including rectified and optimal-transport-based paths, transport samples along straight lines between coupled endpoints and thus cover only a narrow class of dynamics. We observe that this corresponds to the simplest case of the least-action principle in classical mechanics, in which the kinetic Lagrangian yields free-particle straight-line trajectories. Building on this observation, we propose Lagrangian flow matching, a physics-based framework in which the probability path and velocity field are determined by minimizing the action of a general Lagrangian subject to the continuity equation and the prescribed endpoints. We show that this dynamic problem admits an equivalent static optimal transport (OT) formulation, yielding a family of simulation-free training objectives that recover OT-based flow matching as the kinetic special case and the trigonometric variance-preserving diffusion path as the harmonic-oscillator case. More general Lagrangians give rise to new probability paths and velocity fields, and numerical experiments show that they induce meaningful changes in the learned dynamics while remaining competitive with existing conditional flow matching models.
Authors: Jiading Gai, Shuai Zhang, Xiang Song, Bernie Wang, George Karypis
Abstract: Modern RL post-training methods such as GRPO and DAPO train on $N$ response sequences of $R$ tokens sampled from a shared prompt of $P$ tokens, but standard FlashAttention replicates all $P$ prompt tokens $N$ times across both forward and backward passes -- duplicating compute and memory on identical hidden states. In large-rollout, long-context RL training ($N{\geq}16$, $P{\geq}8\text{K}$), this redundancy dominates the policy update cost. We observe that in decoder-only models, causal masking makes prompt representations invariant across sequences at every layer, so all per-token operations (norms, projections, MLP) and attention can process the prompt once -- a property not yet exploited at the kernel level for training. We propose \textbf{DualKV}, the first FlashAttention kernel variant that eliminates shared-prompt replication during RL training, via (1)~fused CUDA forward and backward kernels that iterate over two disjoint KV regions -- shared context and per-sequence response -- in a single kernel launch, and (2)~a data-pipeline redesign in veRL that repacks $N(P{+}R)$ tokens into $P{+}NR$ tokens per micro-batch, extending the token reduction from attention to the entire model by a factor $\rho = N(P{+}R)/(P{+}NR)$. DualKV is mathematically equivalent to standard attention and introduces no approximation. On Qwen3-8B GRPO training with 8$\times$H100 GPUs ($N{=}32$, 8K-context), DualKV achieves $1.63$--$2.09\times$ policy-update speedup, enables $2\times$ larger micro-batches, and raises MFU from $36\%$ to $76\%$. Similar gains hold for DAPO ($2.47\times$ speedup, $77\%$ MFU). At 30B MoE scale on 16$\times$H100, DualKV achieves $3.82\times$ policy-update and $3.38\times$ end-to-end step speedup over FlashAttention (which requires 4-way Ulysses sequence parallelism to avoid OOM).
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 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 fundamental 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: Lute Lillo, Nick Cheney
Abstract: Standard deep-learning pipelines usually choose the network architecture before training and keep it fixed throughout optimization. In contrast, a model can also be adapted by editing its structure during training, for example by pruning existing hidden-neuron units or growing new ones. Although growth is appealing for adaptive and continual systems, we show that it is not simply the inverse of pruning. Pruning selects among units that have participated in training from the start, whereas growth inserts new units into an already specialized optimization trajectory. We isolate this insertion problem and show that newborn units are often forward-active but backward-starved: they participate in the forward computation, yet receive much weaker gradient signal than incumbent units. This disadvantage is minor in small MLP benchmarks, but becomes clear in harder image-classification settings with a convolutional trunk. In these settings, \textsc{Grow} can achieve high final accuracy during the structural-editing procedure, while \textsc{Prune} is stronger when performance is averaged over the training trajectory or when the final sparse network is retrained from scratch. Interventions targeting optimizer state, insertion, selection, and trainability show that improving the integration of newborn units can improve adaptive performance, but does not automatically produce better final subnetworks. In continual-learning benchmarks stressing plasticity loss, \textsc{Grow} becomes competitive mainly when new units have enough time to integrate. Together, these results suggest that \textsc{Grow} should be evaluated not only as an architecture-search operator, but as a time-sensitive optimization process whose success depends on insertion stability.
Authors: Albert Kj{\o}ller Jacobsen, Leo Uhre Jakobsen, Johanna Marie Gegenfurtner, Georgios Arvanitidis
Abstract: The minima of modern neural network loss functions are typically not isolated, rather they form connected components of reparameterization invariant solutions on the training data. Analytically characterizing these solutions is a hard problem, but sampling approaches are feasible. By construction, existing methods either spread over low-loss regions, and thus do not sample reparameterization invariant solutions exactly, or are inherently local, which limits exploration of other minima valleys. We propose sampling such reparameterization invariant models using a dynamical system based on kinetic energy, subject to a gravitational pull and a friction term that dissipates energy from the system. Our proposed sampler, DiMS, is guaranteed to sample exactly from the minimum level sets and depends on physically motivated hyperparameters which allows control over the exploration capabilities of the sampler. We consider uncertainty quantification in Bayesian inference as the motivating problem and observe improved performance compared to previously proposed approaches.
Authors: Yikun Zhang, Xiwei Cheng, Tianyu Liu, Yuanqi Du, Wengong Jin
Abstract: Building state-of-the-art (SOTA) predictive models for drug discovery requires expensive search over tools, architectures, and training strategies. Current LLM-based agents can find SOTA solutions through extensive trial and error, but they do not retain the experience accumulated along the way and therefore pay the full search cost on every new task. We propose \method (Self-evolving Agent Experience), a framework that accumulates and reuses experience across tasks to build SOTA drug discovery models efficiently. \method maintains a cross-task memory of verified skills, statistical evidence about effective strategies, and a record of recurring errors and their fixes. In some cases, \method transfers a working solution directly without test-time search. In 33 molecular property prediction tasks, \method ranks first among nine SOTA agents in a single-task setting. With memory accumulated from 16 smaller tasks, \method achieves an averaged normalized score of 0.935 on 17 held-out tasks in a cross-task evaluation setting and outperforms all baseline agents by 10-30\% in a zero-test-time search regime. In summary, our work shows the advantage of cross-task memory for efficient SOTA model development in drug discovery.
Authors: Rowan Martnishn, Sean Anderson
Abstract: As machine learning models grow in complexity, they increasingly struggle with three conflicting demands: the need for high accuracy, the requirement for hardware efficiency, and the necessity of functional stability. Traditional architectures often achieve performance at the expense of spiky or unpredictable behavior, where small changes in input lead to massive swings in output -- a critical flaw for real-world deployment in sensitive environments. This paper introduces ChainzRule (CR), a novel neural architecture designed to harmonize these competing goals. ChainzRule replaces standard piecewise-linear activations with a Polynomial Engine governed by Differential Regularization (DREG). Unlike traditional methods that impose global, coarse-grained constraints on a model's Lipschitz constant, DREG acts as a targeted regularization on intermediate derivatives. This approach suppresses extreme sensitivity without attenuating the representational power inherent in the Polynomial Engine. In head-to-head "Fair Fight" benchmarks, ChainzRule outperformed standard models while using 15.5x fewer parameters. On the MNIST dataset, it reduced peak gradient volatility by an average of 23.1%, ensuring a smoother and more predictable manifold. On Yelp Full ordinal regression under explicit DREG regularization, ChainzRule achieves 70.17% accuracy, validating that derivative-aware regularization is compatible with competitive performance on realistic tasks. By embedding gradient awareness into the architecture via DREG, ChainzRule demonstrates that stability and accuracy need not be competing objectives.
Authors: Shangjian Yin, Yu Fu, Yue Dong, Zhouxing Shi
Abstract: Post-training has become a crucial step for unlocking the capabilities of large language models, with reinforcement learning (RL) emerging as a critical paradigm. Recent RL-based post-training has increasingly split into two paradigms: reinforcement learning from human feedback (RLHF), which optimizes models using human preference signals in target domains, and reinforcement learning from verifiable rewards (RLVR), which operates in verifier-backed environments. The latter has dominated recent reasoning-oriented post-training because it delivers stronger gains and higher efficiency on domain-specific tasks (e.g., reasoning). However, although in-domain RL training achieves promising performance, it still requires a substantial amount of GPU compute, which remains a major barrier to broad adoption. In this work, we study the generalization ability of RLHF learned from scratch from a small set of interactions in open-ended environments, and investigate whether the conversational abilities it explicitly acquires can implicitly transfer to downstream tasks such as mathematical reasoning and code generation, namely GRLO. Specifically, on Qwen3-4B-Base backbone, GRLO improves the average performance across all domains from 24.1 to 63.1 with only 5K prompts and 22.7 GPU hours, requiring about $46\times$ less data and $68\times$ less compute than a strong in-domain RLVR baseline. The resulting model is even competitive with Qwen's released post-trained models which required a much larger training cost. Notably, a subsequent in-domain RLVR stage brings only selective gains, mainly on harder competition-math benchmarks. We hope GRLO offers a simple and efficient recipe for building broadly capable post-trained models. Our code and data will be available at: \href{https://github.com/SJY8460/GRLO}{https://github.com/SJY8460/GRLO}.
URLs: https://github.com/SJY8460/GRLO, https://github.com/SJY8460/GRLO
Authors: Yunfei Luo, Xi Chen, Yuliang Chen, Lanshuang Zhang, Md Mofijul Islam, Siwei Zhao, Peter Kotanko, Subhasis Dasgupta, Andrew Campbell, Rakesh Malhotra, Tauhidur Rahman
Abstract: Physiological time series signals reflect complex, multi-scale dynamical processes of the human body. Existing modeling studies focus on static tasks such as classification, event forecasting, or short-horizon next step prediction, while long-horizon signal-level forecasting and predictive nature of physiological signals remain underexplored. We introduce NormWear-2, a world model that encodes both multivariate physiological signals and clinical intervention variables into a shared latent space and models their joint temporal evolution as a dynamical system. Our approach combines inference from prior pre-trained knowledge (intuition) with instant non-parametric latent state transition adaptation (insight), enabling coherent forecasting across multiple temporal scales, conditioned on heterogeneous clinical interventions. During the pretraining phase, we find that chaos-theoretic balancing of dynamical regime diversity yields more robust representations, with a smaller balanced corpus outperforming one twice its size and capturing bifurcation regimes. We evaluate the world model performance across diverse real-world physiological datasets spanning heterogeneous temporal resolutions and intervention regimes, covering daily life, point-of-care, and clinical settings, including fitness planning, hemodialysis, diabetes management, and surgical monitoring. These evaluation datasets comprise records from 8,026 subjects, spanning study durations from 3.2 hours for high-resolution signal data to 2.3 years for longitudinal clinical biomarker tracking. NormWear-2 achieves the best overall forecasting performance across time, frequency, and latent representation domains, with significant improvements over state-of-the-art time series foundation models, while maintaining competitive downstream representation quality, providing a step toward general-purpose world models for physiological signals.
Authors: Daniel Holmberg, Joel Oskarsson, Erik Larsson, Fredrik Lindsten, Teemu Roos
Abstract: Ocean dynamics are inherently chaotic, yet existing machine learning ocean models produce only deterministic forecasts. We introduce Njord, a probabilistic data-driven model for ocean forecasting, applicable to both global and regional domains. Njord combines a deep latent variable framework with a graph neural network architecture, enabling sampling each forecast step in a single forward pass. We apply Njord globally at 0.25{\deg} resolution and regionally to the Baltic Sea at 2 km resolution. To scale to these large ocean grids we introduce K-means cluster meshes that adapt to irregular sea surface geometry. Experiments demonstrate strong performance on both domains compared to deterministic machine learning baselines, while also providing uncertainty estimates from the sampled ensemble forecasts. On the global OceanBench benchmark, Njord achieves the lowest errors on average across upper-ocean variables when evaluated against real-world observations, with the largest improvements in surface temperature prediction.
Authors: Nicolas Zilberstein, Santiago Segarra, Eero Simoncelli, Florentin Guth
Abstract: Generative diffusion models can provide powerful prior probability models for inverse problems in imaging, but existing implementations suffer from two key limitations: $(i)$ the prior density is represented implicitly, and $(ii)$ they rely on likelihood approximations that introduce sampling biases. We address these challenges by introducing a new energy-based model trained for denoising with a covariance-based regularization term that enforces consistency across different measurement conditions. The trained model can compute normalized posterior densities for diverse linear inverse problems, without additional retraining or fine tuning. In addition to preserving the sampling capabilities of diffusion models, this enables previously unavailable capabilities: energy-guided adaptive sampling that adjusts schedules on-the-fly, unbiased Metropolis-Hastings correction steps, and blind estimation of the degradation operator via Bayes rule. We validate the method on multiple datasets (ImageNet, CelebA, AFHQ) and tasks (inpainting, deblurring), demonstrating competitive or superior performance to established baselines.
Authors: Shi-ang Qi, Vahid Balazadeh, Michael Cooper, Russell Greiner, Rahul G. Krishnan
Abstract: Survival analysis provides a powerful statistical framework for modeling time-to-event outcomes in the presence of censoring. However, selecting an appropriate estimator from the many specialized survival approaches often requires substantial methodological and domain expertise. We introduce SurvivalPFN, a prior-data fitted network that amortizes Bayesian inference for censored observations through in-context learning. SurvivalPFN is pretrained on a diverse family of synthetic, identifiable, and right-censored data-generating processes, enabling it to amortize survival analysis in a single forward pass during inference. As a result, the model adapts to the effective complexity of each dataset without task-specific training or hyperparameter tuning, avoids restrictive parametric assumptions, and produces calibrated survival distributions. In a large-scale benchmark spanning 61 datasets, 21 methods, and 5 evaluation metrics, SurvivalPFN achieves strong predictive performance and often improves upon established survival models. These results suggest that SurvivalPFN offers a principled and practical foundation model for survival analysis, with potential applications in high-impact domains such as healthcare, finance, and engineering (https://github.com/rgklab/SurvivalPFN).
Authors: Vincent-Daniel Yun, Junhyuk Jo, Sai Praneeth Karimireddy, Sunwoo Lee
Abstract: Layer pruning removes entire Transformer decoder blocks from large language models, but introduces a mismatch between the hidden state received by the next surviving layer and the distribution it was trained to process, leading to significant performance degradation. We propose Ghosted Layers, a training-free recovery module that addresses this issue by solving a boundary activation alignment problem. Our method derives a closed-form optimal linear operator from a small calibration set to reconstruct the activation discrepancy introduced by the pruned layers. We show that this solution corresponds to the unconstrained optimum of the alignment objective, whereas existing methods are restricted to constrained solutions over limited operator subspaces. Experiments across multiple LLM backbones and pruning strategies demonstrate that our method consistently improves accuracy and perplexity over prior training-free baselines, while preserving the efficiency gains of layer pruning.
Authors: Nischal Aryal, Arash Termehchy, Ali Vakilian, Marianne Winslett
Abstract: Financial, social, and political factors often prevent the interests of the owners of ML systems and services and their users from being perfectly aligned. ML systems often produce biased information that can influence users to make decisions that are not in their best interest. Current solution approaches require ML systems to implement protocols to mitigate their biases. However, ML system owners usually do not have any incentive to implement these protocols and often argue that it limits their freedom of expression or business. We believe that a successful solution to this problem must recognize the conflict of interest between the ML systems and their users, and use this information to protect users against information that adversely influences their decisions while allowing users to safely benefit from these systems. To this end, we propose a game-theoretic framework that models the interaction between ML systems and users with conflicts of interest. We present scalable algorithms with theoretical guarantees that maximize the amount of desired information and actions and minimize the amount of biased and manipulative actions in interaction with ML systems.
Authors: Ceyu Xu, Jiangnan Yu, Yongji Wu, Yuan Xie
Abstract: The quadratic complexity of attention imposes severe memory and computational bottlenecks on Large Language Model (LLM) inference. This challenge is particularly acute for emerging agentic applications that require processing multi-million token sequences. We propose STS, a sparse attention mechanism that requires no model retraining. STS leverages the key insight that tokens identified as important by a smaller draft model are highly predictive of important tokens for a larger target model. By integrating into speculative decoding frameworks, STS repurposes the draft model's attention scores to dynamically construct a token-and-head-wise sparsity mask. This mask effectively prunes the expensive attention computation in the target LLM. Our evaluation shows that STS achieves a 2.67x speedup operating at approximately 90% sparsity on representative benchmark NarrativeQA, maintaining negligible accuracy degradation compared to dense attention. STS establishes a new state-of-the-art on the sparsity-accuracy trade-off, outperforming prior techniques by enabling higher sparsity levels for a given accuracy budget.
Authors: Yijun Lu, Zilei Yang, Yuyin Ma
Abstract: While Isaac Lab provides massive parallel UAV simulation, OmniSafe and safe-control-gym provide constrained-RL benchmarks, and CBFKit provides control-barrier-function synthesis tooling, no existing framework unifies these capabilities for end-to-end safety-constrained training. ParallelCBF is the first framework to unify (i)~tensor-parallel UAV environments, (ii)~hard-gate CBF safety filters, (iii)~sharded BC-to-RL pipelines, and (iv)~first-class operational auditability -- pre-registration, watchdog registries, failure forensics, and dataset audits as composable APIs rather than user-implemented scripts. We release ParallelCBF v0.1.0 under Apache~2.0 with a four-layer composable API, a CPU PyTorch reference implementation of a dual-barrier (squared / linear-predictive) CBF, property-based safety invariance tests across vectorized batch sizes that complete in 1.67~s for the full 39-test suite, and a 31{,}415-episode behavior-cloning collection campaign whose curriculum mix, per-bucket yields, and dataset SHA-256 are auditable through the framework's own \texttt{ops} primitives. We report a representative end-to-end pipeline execution in which the framework's auditability layer halted a downstream training stage that did not meet pre-registered convergence criteria, preventing silent propagation of a degraded checkpoint -- an architectural property we argue is necessary, not merely useful, for reproducible empirical robotics research. The framework is installable via \texttt{pip install parallelcbf}; source and release artifacts are available at https://github.com/xiaoyang-123-cell/ParallelCBF.
Authors: Louisa Cornelis, Johan Mathe, Louis Van Langendonck, Guillermo Bern\'ardez, Nina Miolane
Abstract: Graph Neural Networks (GNNs) have become the dominant framework for inductive graph-level learning. Yet most benchmarks focus on the regime $n \gg p$, where the number of graphs $n$ greatly exceeds the number of nodes per graph $p$. This overlooks biological domains such as omics, which operate in the opposite $n \ll p$ regime, characterized by large graphs of genes, transcripts, or proteins across few patient samples. This raises the question: \textit{how do GNNs perform in this low-sample, high-node omics setting?} We introduce \texttt{OgBench} (Omics-Graph Bench), the first benchmarking platform for graph-level prediction in the $n \ll p$ regime characteristic of omics data. We provide a standardized, end-to-end modular infrastructure from raw omics data to families of featured graphs with varied structural properties. We benchmark classical GNNs, as well as GNNs designed for large graphs and omics applications, alongside MLPs and machine learning baselines to establish reference performances. Our results show that widely used GNNs often do not outperform simple MLPs and classical baselines. These findings challenge the prevailing assumption that graph structure inherently adds value in this domain, fostering a critical reassessment of current learning paradigms. Ultimately, by exposing these limitations, OgBench provides the open-source ecosystem necessary for the community to develop and validate novel architectures explicitly tailored for biological graphs. The code is available at https://github.com/geometric-intelligence/ogbench.
Authors: Xian Gao, Bo Hui, Min-Te Sun, Wei-Shinn Ku
Abstract: Data attribution has become an important component of pricing, auditing, and governance in machine learning pipelines, yet most attribution methods implicitly assume that attribution values faithfully reflect participants' contributions. We show that this assumption can fail: a single participant in a standard distributed training workflow can substantially inflate its measured attribution value while preserving global utility. Our attribution-first attack uses latent optimization to inject small synthetic batches that preserve utility while exploiting non-IID label coverage and evaluator sensitivities. Across datasets, models, and multiple marginal-utility evaluators, the attack consistently increases the adversary's attribution value and reshapes the relative attribution structure among benign clients without degrading accuracy or triggering geometry-based defenses. These results show that attribution itself forms a new attack surface and motivate the development of attribution-robust and incentive-compatible scoring mechanisms.
Authors: Bruno Trentini, Jacob Hume, Vincenzo Antonio Isoldi, Philipp Misof, Ekaterina S. Ivshina, Kelly Maggs
Abstract: Point cloud learning often rests on the premise that observed samples are noisy traces of an underlying geometric object, such as a manifold embedded in a high-dimensional feature space. Yet much of this geometry is not captured directly by coordinates, pairwise distances, or learned graph neighborhoods alone. In the smooth setting, differential forms are devices to encode higher order tangency information. In this work, we introduce a new family of principled learnable geometric features for point clouds called neural point-forms (NPFs). In the absence of a natural tangency structure, we instead use Laplacian-based techniques from Diffusion Geometry to build a discrete model for comparing differential forms on point clouds via inner products. In the continuum, submanifolds of a shared ambient feature space are represented as comparison matrices, whose entries describe how pairs of feature forms interact with extrinsic tangency information. We make this intuition precise by proving the long-run consistency of comparison matrices under standard sampling, bandwidth, density, and manifold-hypothesis assumptions. This yields a compact, efficient and permutation-invariant neural layer whose output is a learned form-comparison matrix. Across synthetic and biologically relevant experiments, we show that NPFs provide a competitive, and interpretable representation, with the strongest benefits appearing when labels depend on sampling density, manifold-like structure, or response-relevant population geometry.
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: Jaehun Jung, Hyunwoo Kim, Brandon Cui, Ximing Lu, David Acuna, Prithviraj Ammanabrolu, Yejin Choi
Abstract: Distillation enables compact Vision-Language Models (VLMs) to obtain strong reasoning capabilities, yet the prompts driving this process are typically chosen via simple heuristics or aggregated from off-the-shelf datasets. We reveal a critical inefficiency in this approach: up to 69% of the prompts in standard chart / document reasoning datasets are effectively zero-delta, meaning the teacher and student already induce the exact same answer distribution. Training on these prompts provides minimal learning signal, causing student improvement to rapidly saturate regardless of data scale. To escape the zero-delta trap, we return to first principles: distillation fundamentally minimizes distributional divergence, and thus a prompt is valuable only if it exposes a functional capability gap between the teacher and student. We quantify this gap through answer divergence ($\Delta$), demonstrating that non-zero divergence is critical for effective scaling. Building on this insight, we propose a staged synthesis pipeline that repurposes existing datasets as seeds, actively targeting student failure modes to produce better prompts. The result is DeltaPrompts, a diverse dataset of 200k synthetic, high-divergence reasoning problems. We evaluate DeltaPrompts across three distinct settings: on-policy distillation with the target teacher-student pair, transfer to a novel model family without regenerating the data, and off-policy fine-tuning of a non-reasoning model. Across all scenarios, DeltaPrompts drives substantial gains, yielding up to 15% relative improvement even on top of a highly-optimized reasoning model (e.g., Qwen3-VL-8B-Thinking) -- averaged over 10 benchmarks spanning chart, document and perception-centric reasoning.
Authors: Stefano Riva, Carolina Introini, Antonio Cammi, Dean Price, Alexey Yermakov, Yue Zhao, Philippe M. Wyder, Judah Goldfeder, Jan Williams, Amy Sara Rude, Matteo Tomasetto, Joe Germany, Joseph Bakarji, Georg Maierhofer, Miles Cranmer, J. Nathan Kutz
Abstract: The demand for clean energy is ever increasing, with new nuclear technologies presenting a complementary solution to renewable energies. However, designing and operating these systems is exceptionally difficult, given the complexity of the physical phenomena that interact to form the system dynamics. While high-fidelity simulations help to understand the non-linear, multi-physics interactions within a reactor, they are computationally expensive and rarely suitable for real-time applications. Furthermore, model-based approaches are inherently sensitive to simplifying assumptions required to derive their governing equations and parameters, leading to inevitable discrepancies with real-world measurements. In contrast, Machine Learning (ML) methods have the potential to generate reliable surrogate models which may be able to quickly predict the system's behaviour. However, the number of data-driven methods that can potentially be used for this task is large and diverse. In a safety-critical setting such as nuclear engineering, a fair comparison of different ML methods, and a clear understanding of their advantages and limitations, is of paramount importance. To address this, we introduce a Common Task Framework (CTF) for ML in nuclear engineering, building upon previous efforts in dynamical systems and seismology. This CTF considers a curated set of datasets from different nuclear and nuclear-adjacent systems. The CTF evaluates the performance of a method on 12 established metrics, alongside a new paradigm focused on system monitoring from sparse measurements only. We illustrate the framework by benchmarking standard ML baselines against these datasets, revealing current method limitations. Our vision is to replace ad hoc comparisons with standardized evaluations on hidden test sets, raising the bar for rigour and reproducibility in scientific ML for the nuclear industry.
Authors: Pedram Bakhtiarifard, Sophia N. Wilson, Mahmoud Afifi, Jonathan Wensh{\o}j, Raghavendra Selvan
Abstract: Training large-scale deep neural networks (DNNs) is resource-intensive, making model compression a practical necessity. The widely accepted ''learning as compression'' hypothesis posits that training induces structure in network weights, which enables compression. Measuring this structure through Kolmogorov-Chaitin-Solomonoff (KCS) complexity is appealing, but existing estimators based on the Coding Theorem Method (CTM) and the Block Decomposition Method (BDM) are limited to small binary objects and do not scale to modern DNNs. We introduce the Quantized Block Decomposition method (QuBD), which extends algorithmic complexity estimation to any $k$-ary object. QuBD first quantizes the network weights to a finite alphabet, then estimates the KCS complexity by aggregating per bit-plane CTM estimates. We show theoretically that QuBD yields a strictly tighter estimation gap with respect to true KCS complexity than binarization-based methods. Using QuBD, we study how the algorithmic complexity of neural network weights evolves during training, showing that it decreases as models learn, scales with data budget, increases during overfitting, follows the delayed generalization observed during grokking, and correlates with generalization performance. We further show that algorithmic information resides predominantly in the most significant bit-planes, which can serve as a practical diagnostic for determining appropriate post-training quantization levels. This work offers novel insights into learning mechanisms in DNNs by providing the first scalable, tractable estimates of KCS complexity for large, non-binary objects such as DNN weights.
Authors: Minseo Kim, Huanghao Mai, Jay Shenoy, Alec Follmer, Gordon Wetzstein, Frederic Poitevin
Abstract: Generative models trained on public databases of protein structures, most of which have been determined by X-ray crystallography, now provide powerful priors for structure prediction. However, they are not readily conditioned on the measurements from a new crystallographic experiment, limiting their use for X-ray structure determination. In crystallography, the measured structure-factor amplitudes do not by themselves determine an electron density map or atomic structure because the associated phases are unobserved and must be inferred. Structure determination therefore remains an inverse problem in which candidate models must be both structurally plausible and consistent with measured diffraction data, often requiring substantial manual refinement by human experts. Emerging methods aim to incorporate experimental information more directly into predictive and refinement workflows. We present CrystalBoltz, a generative framework that casts crystallographic refinement as Bayesian inference over atomic structures and operates directly on structure-factor amplitudes. CrystalBoltz moves from unguided generation with a pre-trained prior over protein structures to experiment-guided posterior sampling, followed by atomic coordinate and B-factor refinement. Across multiple protein crystallography datasets, CrystalBoltz attains lower coordinate RMSD and lower R-factors than the strongest baselines considered, while reducing runtime by a factor of 33 relative to existing experimentally guided refinement.
Authors: Haizhong Zheng, Yizhuo Di, Jiahui Wang, Shuowei Jin, Xueshen Liu, Yongji Wu, Z. Morley Mao, Ion Stoica, Jiawei Zhao, Beidi Chen
Abstract: Reinforcement learning (RL) is increasingly used to improve the reasoning, coding, and tool-use capabilities of large language models, but agentic RL remains prohibitively expensive. Scaling RL to agentic LLMs requires supporting complex workloads, including multi-policy collaborative training, while efficiently using elastic, heterogeneous, and cross-region compute resources. Existing LLM RL systems support some of these capabilities, but each new extension often requires dedicated system engineering. This burden arises from trainer-centered control architectures and the lack of principled abstractions for RL system components. To address these limitations, we propose AstraFlow, a dataflow-oriented RL system that replaces conventional trainer-centered control with principled component abstractions. In AstraFlow, rollout services, dataflow management, and training are decoupled into autonomous components, enabling the system to natively support complex multi-policy agentic RL workloads and efficiently exploit diverse compute resources. We evaluate AstraFlow across math, code, search, and AgentBench workloads, showing that the same system supports multi-policy training, elastic scaling, heterogeneous cross-region execution, and composable data algorithms without system-level code changes. In multi-policy collaborative training, AstraFlow achieves comparable or better accuracy than existing RL systems while speeding up training time by 2.7x.
Authors: Zezhong Ding, Jin Li, Xugang Wang, Xike Xie
Abstract: Relational graph learning models relational databases as graphs and has demonstrated superior performance on a wide range of relational predictive tasks. However, existing methods struggle to capture long-range dependencies due to information decay in their message-passing mechanisms, and recent relational graph transformers remain limited in jointly modeling structural, semantic, and temporal information. In this paper, we propose GelGT, a Gaussian relational graph transformer that explicitly addresses these challenges. GelGT introduces a structure-semantic collaborative sampling strategy to preserve structural connectivity while filtering irrelevant semantic information, and incorporates a Gaussian graph attention mechanism with a learnable Gaussian bias on the sampled subgraphs to dynamically encode temporal dependencies. Extensive experiments on various real-world datasets demonstrate that GelGT achieves state-of-the-art downstream task performance, with up to a 13.8% improvement in predictive performance.
Authors: Tan-Ha Mai, Chao-Kai Chiang, Han-Hwa Shih, Gang Niu, Masashi Sugiyama, Hsuan-Tien Lin
Abstract: Complementary-label learning (CLL) is a weakly supervised paradigm where instances are labeled with classes they do not belong to. Despite a decade of research, CLL methods remain competitive mainly on 10-class classification, with scaling to large label spaces continuing to be an enduring bottleneck. This limitation stems from the common assumption of uniform label generation in traditional methods, which fatally dilutes the learning signal in many-class settings. In this paper, we demonstrate that this long-standing barrier can be overcome by deliberately designing a biased (non-uniform) generation process that restricts complementary labels to a subset of classes. This finding motivates us to propose Bias-Induced Constrained Labeling (BICL), a principled framework spanning data collection to training that leverages this bias. BICL enables effective learning on CIFAR-100 and TinyImageNet-200, achieving more than sevenfold accuracy improvements over traditional methods. Our findings establish a new trajectory for making CLL feasible for many classes in real-world applications.
Authors: Hojun Chung, Junseo Lee, Songhwai Oh
Abstract: Model-based reinforcement learning (RL) offers a compelling approach to offline RL by enabling value learning on imagined on-policy trajectories. However, it often suffers from compounding errors due to repeated model inference on self-generated states. While geometric horizon models (GHM) alleviate this issue through direct prediction over a discounted infinite-horizon future, they remain challenged in accurately modeling distant future states. To this end, we introduce universal horizon models (UHM), a generalization of GHM that directly predicts future states under arbitrary horizons. Leveraging this flexibility, we propose a scalable value learning method that employs a winsorized horizon distribution to stabilize training by capping excessively large horizons. Experimental results on 100 challenging OGBench tasks demonstrate that the proposed method outperforms competitive baselines, particularly on tasks with highly suboptimal datasets and those requiring long-horizon reasoning. Project page: https://rllab-snu.github.io/projects/UHM/
Authors: Xuechen Zhang, Zijian Huang, Kai Yang, Weijia Zhang, Jiasi Chen, Samet Oymak
Abstract: Modern language models often need to optimize a primary accuracy objective while also accommodating secondary behavioral preferences, such as verbosity, agreeableness, or the level of technical expertise in its response. In practice, a base model may exhibit a desired behavior very rarely or not at all. Thus, endowing the model with a target behavior creates a sparse behavioral reward bottleneck. To address such multi-objective problems, we introduce Vector-Steered Policy Optimization (VSPO) which employs a steering vector associated with the target behavior to control the behavior intensity of the generated rollouts. VSPO is obtained by modifying GRPO to sample rollouts with varying steering intensities. This process can be interpreted as an on-policy latent self-distillation procedure where the model internalizes its steering vector. By varying steering intensities, VSPO upsamples rare behaviors and enriches rollout diversity, which alleviates the sparse reward issue and provably accelerates the policy optimization. Through comprehensive theory and experiments, we establish that VSPO has favorable properties compared to vanilla reward shaping and other alternative approaches. Specifically, under a bandit abstraction, VSPO provably achieves better iteration complexity than reward-shaped GRPO when the steering-induced distributions are sufficiently aligned with the target behavior. We evaluate VSPO across multiple reasoning benchmarks, including MATH and MMLU-Pro, for four target behaviors: explanation expertise, confidence expression, robustness to misleading context, and response verbosity. Our results show that VSPO consistently improves the control along target behavior while maintaining or improving task accuracy compared with reward shaping, teacher-trace distillation, and guidance-based baselines.
Authors: Aditya Kudre, Heng-Sheng Chang, Prashant G. Mehta
Abstract: Decoder-only transformers compute the conditional probability of the next token from a sequence of past observations. This paper derives, from first principles, inference architectures that solve the same prediction problem - and in doing so, recovers transformer-like layer operations as a consequence of optimal control theory. The framework is developed for two model classes: a nonlinear model of discrete-valued processes, directly motivated by the transformer, and a linear Gaussian model as a tractable baseline. For both model classes, the prediction objective is reformulated as an optimal control problem whose solution yields an explicit inference algorithm, the dual filter, with a layer structure that mirrors the layer structure of a decoder-only transformer. Numerical experiments provide a comparison of the optimal control to attention weights from a trained transformer. These experiments reveal that when the embedding dimension is insufficient, the transformer implicitly exploits non-Markovian structure.
Authors: Sijia Liu, Yicheng Lang, Soumyadeep Pal, Changsheng Wang, Yancheng Huang, Chongyu Fan, James Diffenderfer, Bhavya Kailkhura, Yihua Zhang
Abstract: Zeroth-order (ZO) optimization, learning from finite differences of function evaluations without backpropagation, has recently regained attention in deep learning due to its memory efficiency and applicability to gray- or black-box pipelines. Yet, ZO methods are often dismissed as fundamentally unscalable because of estimator variance and unfavorable query complexity. We argue that this conclusion might be misguided: ZO optimization is underexplored, not underpowered. We show that many perceived limitations stem from myopic development practices, most notably full-space, element-wise, estimator-centric designs. We articulate six positions spanning the algorithmic, systems, and evaluation stack. First, we revisit the feasibility boundaries of estimator-centric ZO methods through variance control, variance-query tradeoffs, and directional-derivative lenses. Then, we identify three underexplored opportunities: (i) subspace and spectral views of ZO that enable interpretable variance reduction with graceful query scaling, (ii) the forward-only nature of ZO as a systems advantage for communication-efficient, pipeline-friendly, and resource-constrained training, and (iii) the need to de-obfuscate ZO evaluations from task complexity. We strongly advocate rethinking ZO optimization around its unique strengths and acting accordingly, opening a viable path toward large-scale, system-aware, and resource-efficient learning with ZO optimization.
Authors: Ali Abbasi, Chayne Thrash, Haoran Qin, Hamed Pirsiavash, Soheil Kolouri
Abstract: Large language models deliver strong performance across language and reasoning tasks, but their storage and compute costs remain major barriers to deployment in resource-constrained and latency-sensitive settings. SVD-based post-training compression offers a hardware-agnostic way to reduce model size and improve inference efficiency through low-rank factorization. However, existing methods often rely on input-only whitening spaces, homogeneous rank allocation, or loss-agnostic allocation heuristics, limiting their ability to preserve model quality under aggressive compression. We propose Input-Output Whitened SVD (IO-SVD), a post-training compression method that forms a KL-aware double-sided whitening space for model weights. Using a second-order expansion of the KL loss over the top-K token probabilities, IO-SVD constructs an output-side metric that captures predictive sensitivity, while input whitening captures activation statistics. We further introduce an efficient heterogeneous rank-allocation strategy that scores whitened singular components using first-order calibration loss estimates and prunes the least sensitive components under a global budget. Inspired by prior work that combines SVD truncation with quantization, we improve hybrid SVD-quantization compression through loss-aware remapping, which selects low-rank factor rows for 8-bit quantization based on the predicted loss change incurred by quantizing them. Extensive experiments across diverse LLM and VLM families, and inference-time analysis shows that IO-SVD compresses LLMs with minimal performance degradation while delivering practical inference speedups. Code is available at https://github.com/mint-vu/IO-SVD.git
Authors: Vishy Gopal, Aris Ilias Goutis, Ralph Crewe, Erin Yanacek, Rorry Brenner
Abstract: Edge machine learning presents a unique set of constraints not encountered in cloud-scale model deployment: strict memory budgets, limited compute, and non-negotiable accuracy thresholds must all be satisfied simultaneously. Existing compression and optimization techniques can trade one resource for another, but rarely improve both accuracy and model size at the same time. This paper presents the application of Perforated Backpropagation to keyword spotting on the Edge Impulse platform, an experiment that won the Best Model award at the Edge Impulse 2025 Hackathon in December 2025. By adding artificial Dendrite Nodes to a standard convolutional neural network trained on the Edge Impulse keyword spotting tutorial pipeline, we demonstrate that dendritic models outperform traditional architectures at every level of parameter count and at every accuracy threshold tested across 800 hyperparameter trials. The best dendritic model achieved a test accuracy of 0.933 with only 1,500 parameters, versus the baseline accuracy of 0.921 requiring approximately 4,000 parameters. These results suggest that Perforated Backpropagation is a powerful addition to the edge AI engineer's toolkit, offering simultaneous gains in both model quality and deployment efficiency.
Authors: Pranav Somu, Advay Balakrishnan, Stepan Kravtsov, Aaron McDaniel, Jason Zutty
Abstract: Developing effective surrogates (performance predictors) for Neural Architecture Search (NAS) typically requires expensive fine-tuning or the engineering of complex representations. We propose a low-cost embedding strategy that leverages the inductive bias of Language Models (LMs) to eliminate these overheads. By representing architectures as PyTorch class definition text, we demonstrate that off-the-shelf LMs act as competitive feature extractors without NAS-specialized fine-tuning. The final predictor is constructed by passing the extracted Code-Oriented LM Embeddings (COLE) through a lightweight regression head. We also investigate strategies to improve embedding quality and utilization. Our experiments on the NAS-Bench-201 and einspace search spaces reveal that raw code inputs yield higher predictive performance than other text-based encodings (e.g., ONNX-to-text encodings) when using frozen LMs. We also observe COLE drives superior surrogate-assisted search using the BANANAS algorithm in NAS-Bench-201. When optimizing for CIFAR-100 performance, replacing structural path encodings with COLE for architecture representation allows for a 34% decrease in the evaluation budget required to reach within 1% of the fittest architecture in the search space (by test accuracy). As any neural architecture can be represented as code, these findings establish COLE as a versatile and efficient foundation for advancing NAS.
Authors: Tongxi Wang
Abstract: Softmax feedback systems are a common mathematical core of entropy-regularized reinforcement learning, logit game dynamics, population choice, and mean-field variational updates. Their central stability question is simple: when does a self-reinforcing softmax system produce a unique and globally predictable outcome? Classical theory gives a conservative answer. By treating softmax as a unit-scale response, it certifies stability only in a strongly randomized regime. We prove that the classical approach misses an entire stable regime and does not identify the point at which the qualitative change truly occurs. For finite-dimensional affine logit systems, the sharp dimension-free Euclidean threshold is $$\beta\|\Pi W\Pi\|_{\mathcal T\to\mathcal T}<2,$$ rather than the previously used condition, which certifies stability only while the softmax system remains safely over-regularized. Our theorem fills the previously missing pre-bifurcation regime, extending stability guarantees for affine softmax feedback systems to reward-responsive yet globally predictable systems. It enlarges the certified stability boundary for these systems and identifies where the model genuinely undergoes a phase transition.
Authors: Arnab Maiti, Yunbei Xu, Kevin Jamieson
Abstract: We study the minimax sample complexity of $\varepsilon$-best arm identification in linear bandits. Given a compact action set $\mathcal{X}$ that spans $\mathbb{R}^d$ and an unknown reward vector $\theta\in\mathbb{R}^d$, the goal is to output an arm $\widehat{x}\in\mathcal{X}$ such that $\langle \widehat{x},\theta\rangle \ge \max_{x\in\mathcal{X}} \langle x,\theta\rangle - \varepsilon$ with probability at least $1-\delta$, using as few samples as possible. First, we present a non-adaptive fixed-design method with sample complexity $\mathcal{O}\!\left(\frac{d\log(1/\delta)}{\varepsilon^2}+\frac{w(\mathcal{X})^2}{\varepsilon^2}\right)$, where $w(\mathcal{X})$ is a Gaussian width term dependent on $\mathcal{X}$, and we prove a matching lower bound $\Omega\!\left(\frac{d\log(1/\delta)}{\varepsilon^2}+\frac{w(\mathcal{X})^2}{\varepsilon^2}\right)$ for all non-adaptive fixed-design methods. We then turn to adaptive sampling. We raise an important structural question: beyond the canonical basis, are there structured action sets for which adaptivity yields only logarithmic-factor improvements over the optimal non-adaptive rate? We answer in the affirmative for several natural action sets, namely the hypercube, the $\ell_2$ ball, $m$-sets, and multi-task multi-armed bandits. Finally, we provide the first construction of an action set $\mathcal{X}$ for which adaptivity yields a polynomial-factor improvement over every non-adaptive algorithm. A key ingredient behind this separation is an $\ell_2$-norm estimation subroutine: we design an adaptive algorithm that uses $\mathcal{O}\!\left(\frac{d\log(1/\delta)}{\varepsilon^2}\right)$ samples from the unit $\ell_2$ ball in $\mathbb{R}^d$ and outputs an estimate $\widehat r$ satisfying $|\widehat r-\|\theta\|_2|\le \varepsilon$ with probability at least $1-\delta$, where $\theta$ is the unknown reward vector.
Authors: Jinuk Kim, Junsoo Byun, Donghwi Hwang, Seong-Jin Park, Hyun Oh Song
Abstract: Manufacturable chip layouts must satisfy thousands of geometry-based design rules, and design rule checking (DRC) enforces them by running executable DRC scripts on layouts. Translating natural language rules into correct DRC scripts is labor-intensive and requires specialized expertise, motivating LLM agents for DRC script synthesis and debugging. However, existing benchmarks have small evaluation sets and often evaluate scripts by code similarity rather than execution correctness, and prior machine learning-based methods either ignore execution feedback or require labeled test layouts as agent's input. To this end, we introduce Rule2DRC, a large-scale benchmark for DRC script coding agents with 1,000 rule-to-script tasks and 13,921 evaluation chip layouts for execution-based scoring. Rule2DRC provides an evaluation pipeline that measures functional correctness via DRC execution outcomes without requiring evaluation layouts as input to the agent. We also propose SplitTester, a tester agent for program selection that uses execution feedback to generate discriminative test cases and separate previously indistinguishable candidate scripts, substantially improving Best-of-N selection performance in this domain. We release the code at https://github.com/snu-mllab/Rule2DRC.
Authors: Jaeseung Heo, Kyeongheung Yun, Youngbin Choi, Sehyun Hwang, Jungseul Ok, Dongwoo Kim
Abstract: Influence functions approximate how removing a training example changes a quantity of interest, called the target function, such as a held-out loss. To estimate the influence of a group of examples, the standard practice is to sum the individual influences of its members. However, this sum does not capture how examples jointly affect the target: a pair of examples may be redundant or complementary, but the sum cannot distinguish these cases. We propose an interaction-aware influence function that characterizes how interactions between examples influence the target. By expanding the target to second order around the trained parameters, we obtain an estimator that augments the standard sum with a pairwise interaction term that captures the alignment between two examples' effects on the target. We empirically evaluate our estimator in two settings. First, on six dataset-model pairs spanning logistic regression, MLPs, and ResNet-9, our estimator tracks leave-group-out retraining substantially better than first-order influence across all settings. Second, when used as a greedy selection rule for instruction-tuning data on Llama-3.1-8B, it beats prior influence-based and representation-similarity baselines on five of seven downstream tasks, in a regime where standard influence-based selection underperforms random selection.
Authors: Qingyuan Yang, Dongyue Chen, Da Teng, Junhua Xiao, Jiaji Pan, Shizhuo Deng
Abstract: Long-term time series forecasting is essential for decision making in energy, finance, transportation, and healthcare systems. Recent lightweight forecasting models improve efficiency by operating in transformed or linearized spaces, but two challenges remain in frequency-space forecasting. The real and imaginary streams of complex spectra contain complementary information that is often weakly exchanged, and periodic-position cues can help recurring patterns only when they are reliable for the current dataset and prediction horizon. To address these challenges, we propose FRWKV+, an enhanced FRWKV forecasting model for selective periodic-position branch interaction. FRWKV+ first introduces cross-branch gates that exchange compact contexts between the real and imaginary frequency streams, allowing each stream to modulate the other. It then uses the Adaptive PhaseGate mechanism to extract periodic-position context and generate signed corrections to these gates. An adaptive trust mechanism controls the correction strength at the sample, variable, and channel levels, so periodic-position information is admitted as a reliable correction signal while preserving the efficiency of the FRWKV backbone. External benchmark tables report a separately labeled FRWKV-family selected system for manuscript-level comparison, while mechanism-level claims are based on strict matched-seed FRWKV-family ablations and representative component-level ablations. Under this matched protocol, FRWKV+ achieves the largest MSE winner coverage among the family variants and provides clear gains in selected periodic regimes. Component analysis further supports the usefulness of periodic-position context, signed correction, and adaptive trust in these regimes, while revealing boundary cases where simpler correction rules remain preferable.
Authors: Yuan Zhang, Lifeng Guo, Junwen Pan, Chang Liu, Wenzhao Zheng, Kuan Cheng, Kurt Keutzer, Shanghang Zhang
Abstract: Data selection seeks to identify a compact yet informative subset from large-scale training corpora, balancing sample quality against collection diversity. We formulate this problem as a Weighted Independent Set (WIS) on a similarity graph, where nodes represent data samples weighted by influence, and edges connect semantically redundant pairs. This formulation naturally yields subsets that are simultaneously high-quality and diverse. However, two challenges arise in practice: naive node weights fail to distinguish informative signals from gradient noise, and edge construction under heterogeneous domain distributions produces structurally imbalanced graphs that bias selection toward sparse regions. To address these issues, we introduce two principled refinements from a unified graph perspective: (1) \textit{node value calibration} that restricts influence estimation to the bilateral salient subspace to ground node importance in task-relevant signals rather than surface-level statistics; (2) \textit{local scale normalization} that adapts edge thresholds to local neighborhood density, mitigating graph imbalance induced by cross-domain distribution shifts. Together, these components yield a robust and scalable data selection pipeline dubbed SEED. We further construct \texttt{Honeybee-Remake-SEED-200K}, a compact multimodal dataset curated by SEED. Extensive experiments show that SEED consistently outperforms state-of-the-art methods on instruction tuning, visual instruction tuning, and semantic segmentation across diverse model families.
Authors: Zijun Chen, Zihan Zhang
Abstract: We study episodic reinforcement learning with fixed reward and transition functions, but with episode-dependent admissible action sets that are observed at the start of each episode. Performance is measured by cumulative regret against the episode-wise optimal value, $\sum_{k=1}^K [V^{*,M^k} - V^{\pi^k,M^k}]$, where $M^k$ represents the action context in the $k$-th episode. We show that the MVP algorithm naturally extends to this framework and enjoys strong theoretical guarantees. In particular, we establish a minimax regret bound of $\widetilde{O}(\sqrt{SAH^3K\log L})$ for adversarial contexts, where $L$ denotes the number of possible contexts. This result implies a regret bound of $\widetilde{O}(\sqrt{SAH^3K})$ for stochastic contexts. We further translate the stochastic regret guarantee into a sample complexity bound of $\widetilde{O}(SAH^3/\epsilon^2)$ for a fixed context distribution. In addition, we derive a gap-dependent regret bound of \[ \widetilde O\left( \inf_{p\in [0,1)} \left( \frac{1}{\Delta_{\min}^{p}} + pK\Delta_{\min}^{p} \right)\log K \cdot \mathrm{poly}(S,A,H) \right), \] where $\Delta_{\min}^{p}$ is the global $p$-trimmed positive-gap floor over suboptimal $(h,s,a)$ triples. This bound can substantially improve upon the minimax rate when the relevant suboptimality gaps are large.
Authors: Alexander Gr\"afe, Ding Huo, Vincent de Bakker, Johannes Berger, Marco Zimmerling, Sebastian Trimpe
Abstract: Transformer models are rapidly becoming a cornerstone of modern Internet of Things (IoT) applications, yet their computational and memory demands far exceed the capabilities of a single typical ultra-low-power IoT device. We present CATS, a framework for distributed transformer inference on ultra-low-power wireless devices, enabling multiple devices to collaboratively execute models far larger than what a single device can sustain. At its core, CATS is a communication-aware distributed transformer inference scheme co-designed across transformer partitioning, wireless communication and training. It employs SomeGather, a new pruned communication primitive that selectively broadcasts activation columns to reduce communication bandwidth and RAM usage without sacrificing model accuracy. Building on SomeGather, we design a partitioning method that exploits this primitive for efficient model parallelism. To cope with unreliable wireless communication, CATS employs message-dropout during training, which mimics packet losses and yields models that are robust to message loss during inference. In real-world experiments, we show that CATS brings distributed transformer inference to ultra-low-power wireless devices for the first time, with deployments on up to 16 devices that collaboratively execute transformer models up to 14 times larger than what a single device can run.
Authors: Raj Kiran Gupta Katakam
Abstract: Automated machine learning pipelines increasingly produce models whose predictions must be explained to end users, auditors, and downstream decision systems. The most widely used feature attribution methods (SHAP, Integrated Gradients, LIME) are typically chosen by convention rather than measured fidelity, because rigorous evaluation is impeded by the absence of ground-truth attribution on real data. We propose AGOP-IxG, a fast per-sample attribution method for tabular classifiers that pre-multiplies the per-sample gradient by a top-$K$ rank-truncated Average Gradient Outer Product matrix, and evaluate it against four widely-used baselines on a controlled tabular benchmark designed for AutoML practitioners. In Part 1, we construct three synthetic multi-class tabular tasks (linear, sparse nonlinear, interaction-based) where ground-truth attribution per sample is analytically or numerically derivable, and compare five methods: AGOP-IxG, SHAP (DeepExplainer), Integrated Gradients, InputXGradient, and LIME. AGOP-IxG leads on Spearman rank correlation and noise feature mass on all three synthetic datasets, and on top-$k$ precision on the interaction dataset. Across all settings, AGOP-IxG is approximately $350\times$ to $1{,}650\times$ faster than SHAP. In Part 2, we evaluate global faithfulness on Adult Income and Credit Card Default using the ROAR protocol; the methods cluster within $\sim 1.7\%$ relative AUC, consistent with AGOP-IxG being optimized for per-sample local attribution rather than global feature ranking.
Authors: Xingjian Wu, Junkai Lu, Siyu Yan, Xiangfei Qiu, Jilin Hu, Chenjuan Guo, Bin Yang
Abstract: Recent advances in Large Language Models (LLMs) have catalyzed the development of multi-agent systems (MAS) for complex reasoning tasks. However, existing MAS typically rely on pre-defined or pre-compiled communication topologies, which limits their flexibility and adaptability to dynamic task requirements. In this work, we propose Differentiable Mixture-of-Agents (DMoA), a self-evolving multi-agent framework that enables elastic and adaptive agent collaboration during inference. Instead of statically constructing workflows, DMoA dynamically routes and activates agents at each reasoning step, allowing the system to implicitly simulate diverse communication topologies and adapt to evolving demands. To achieve this, we design a differentiable, context-aware routing mechanism that leverages recurrent structures to incorporate historical and contextual information, producing sparse agent activations in a step-wise manner. Furthermore, we introduce predictive entropy as self-supervised signals to optimize the routing process, enabling efficient test-time adaptation without external annotations. Extensive experiments across 9 benchmarks demonstrate that DMoA achieves state-of-the-art performance while exhibiting strong efficiency, robustness, and ensembling capabilities.
Authors: Jeonghwa Lim, Minje Park, Sunghoon Joo
Abstract: Accurate delineation of electrocardiogram (ECG), the segmentation of meaningful waveform features, is crucial for cardiovascular diagnostics. However, the scarcity of annotated data poses a significant challenge for training deep learning models. Conventional semi-supervised semantic segmentation (SemiSeg) methods primarily focus on consistency from unlabeled data, underutilizing the information exchange possible between labeled and unlabeled sets. To address this, we introduce CardioMix, a framework built on a bidirectional CutMix strategy guided by cardiac patterns for ECG segmentation. This approach enriches the labeled set with realistic variations from unlabeled data while simultaneously applying stronger supervisory signals to the unlabeled set, as the cardiac pattern-guided mixing ensures all augmented samples remain physiologically meaningful. Our framework is designed as a plug-and-play module, demonstrating high compatibility with various SemiSeg algorithms. Extensive experiments on SemiSegECG, a public multi-dataset benchmark for ECG delineation, demonstrate that CardioMix consistently outperforms existing CutMix-based fusion strategies across diverse datasets and labeled ratios as a plug-and-play module compatible with various SemiSeg algorithms.
Authors: Xu Wang, Xunkai Li, Yinlin Zhu, Rong-Hua Li, Guoren Wang
Abstract: Multimodal alignment is commonly learned from isolated image-text pairs via CLIP-style dual encoders, leaving the relational context among entities largely unused. Multimodal attributed graphs (MAGs), where nodes carry multimodal attributes and edges encode corpus structure, provide a natural setting for refining frozen vision-language embeddings. This refinement is challenging: visual, textual, and cross-modal relations often induce different neighborhood geometries, while unrestricted graph propagation can quickly over-smooth retrieval representations. Effectively leveraging graph context therefore requires simultaneously breaking modality-specific topological barriers, controlling the smoothing regime, and preserving informative smoothing before semantic boundaries collapse. We propose Graph-Optimized Multimodal Alignment (GOMA), a structure-driven post-alignment framework that views frozen multimodal embeddings as graph signals and addresses these requirements through a unified retrieval-oriented design. GOMA decouples three key design choices: where messages should flow, how multimodal evidence should propagate, and which smoothing depth should be retained. Concretely, it learns modality-aware propagation operators, performs finite-step coupled smoothing without diagonal cross-modal shortcuts, and adaptively reads out node-specific smoothing trajectories to preserve useful smoothing before collapse. All experiments follow a transductive MAG retrieval protocol where the graph serves only as unlabeled context and diagonal self-pair edges are removed. On seven MAG benchmarks, GOMA achieves state-of-the-art or tied state-of-the-art retrieval and remains substantially more stable than the strongest graph competitor, demonstrating that MAG structure can serve as an effective post-encoder for frozen multimodal embeddings.
Authors: Hosna Oyarhoseini, Jimmy Lin, Amir-Hossein Karimi
Abstract: Evaluation leaderboards such as LMArena play a central role in benchmarking large language models by aggregating pairwise human preferences into model rankings, yet the robustness of these rankings remains poorly understood. We present a unified perturbation framework for analyzing Bradley-Terry leaderboards under structured data modifications using influence-based approximations. Our framework studies three match-level perturbations -- Drop, Add, and Flip -- together with player removal, and evaluates their effects on top-k membership, global ranking consistency via Kendall's tau, and confidence-interval-based uncertainty. Across Chatbot Arena and six additional pairwise-comparison datasets, we show that modern leaderboards are non-robust across all three objectives: sub-1% targeted perturbations can change the top-ranked model, degrade Kendall's tau, and alter confidence intervals. Beyond robustness auditing, we show that the same influence scores enable efficient targeted perturbations, promoting or demoting specific models and reducing target-model uncertainty with fewer actions than previous manipulation and active-sampling baselines. By summarizing these effects with normalized dataset-level robustness scores, our framework provides a practical and helpful tool for auditing leaderboard stability and motivating more robust evaluation protocols.
Authors: Pascal Janetzky, Tobias Schlagenhauf, Stefan Feuerriegel
Abstract: Continual learning (CL) aims to train models sequentially over multiple domains without forgetting previously learned knowledge. However, existing CL methods optimize for in-domain performance and are therefore prone to learning spurious, domain-specific cues (``shortcut learning''), which limits generalization to unseen domains after deployment. In this paper, we address this limitation through continual learning of domain-invariant representation. We introduce a broad class of CL methods that sequentially learn representations capturing invariant structures across domains. Our methods are motivated by the observation that such invariant structures often preserve the underlying causal mechanisms, which can reduce the risk of overfitting to domain-specific cues and thus offer better out-of-domain generalization. Our proposed CL methods combine replay-based training with a tailored sequential invariance alignment to learn -- and preserve -- invariant structures over time. We evaluate our methods under a deployment-oriented protocol that measures performance on unseen target domains. Across six benchmark and real-world datasets spanning vision, medicine, manufacturing, and ecology, our methods consistently outperform existing CL baselines in terms of generalization to unseen target domains. As an ablation, we further show that na\"ive extensions of sequential training with existing domain-invariant representation learning (DIRL) methods provide only limited benefits. To the best of our knowledge, this is the first work to develop domain-invariant representation methods for CL.
Authors: Kai Hidajat, Solden Stoll, Joseph An
Abstract: Why does a Transformer that has memorized its training set wait thousands of steps before it generalizes? Existing accounts locate this delay in norm minimization, feature emergence, or the late discovery of sparse subnetworks. These explanations capture important parts of the transition, but ignore a constraint unique to attention-based models: if attention discards an informative token, no bounded downstream computation can recover it. We formalize attention as an implicit Bayesian posterior over the task dependency graph and prove that generalization requires two separable conditions: a familiar Goldilocks bound on MLP capacity, coinciding with norm-based theories of grokking, and a novel Bayesian structural condition requiring attention to place sufficient mass on every informative token. This decoupling explains delayed generalization as delayed structural inference. Early in training, the MLP memorizes through unaligned features, drives the cross-entropy loss near zero, and thereby starves attention of structural gradient. Weight decay must then erode memorization before the missing graph becomes learnable, yielding the known inverse-weight-decay delay, which we derive as a structural waiting time. We then prove that this explaining-away delay can be bypassed by a KL-based structural intervention, yielding an inverse-intervention-strength scaling law for the grokking time. Experiments on algorithmic sequence tasks isolate structure from capacity and show that this Bayesian ticket matches or outperforms lottery-ticket transfer.
Authors: Ruirui Liu, Xuejie Hou, Yiping Jiang, Hui Ren
Abstract: Uncertainty quantification is essential in safety-critical settings--from autonomous driving to aviation, finance, and health--where decisions must rely on conservative bounds rather than point estimates. Predictor-level intervals (e.g., from quantile regression, conformal prediction, variance networks, or Bayesian models) generally do not compose: adding two per-variable intervals need not yield a valid interval for their sum or preserve coverage. In aviation, Gaussian overbounding replaces complex error distributions with a conservative Gaussian whose tails dominate the truth, so conservatism propagates through linear operations. Yet classical overbounds are global, often overly conservative, and hard to adapt to feature-conditioned errors. We propose a unified learning framework that trains neural networks to produce context-aware Gaussian overbounds--mean and scale--with provable conservatism on a finite quantile grid and, under three explicit regularity assumptions, continuous-tail conservatism on a certified interval. Our overbounding loss enforces conservativeness at selected quantiles while penalizing distributional distance with a Wasserstein-style term. The learned bounds support conservative linear-combination and convolution analysis on the enforced grid, and on the certified interval when assumptions hold, while being less redundant than traditional methods. We provide a scoped analysis of discrete-to-continuous conservatism and compact-domain objective regularity, and validate on synthetic data and real-world datasets, including multipath, ionospheric, and tropospheric residual errors. Across these settings, the method yields tighter bounds while maintaining conservatism on the enforced grid and in experiments. The framework is modality-agnostic and applicable to learning systems that require conservative, feature-conditioned uncertainty estimates in dynamic environments.
Authors: Qitan Lv, Hong Wang, Zhongkai Hao, Wen Wu, Xuenan Xu, Bowen Zhou, Feng Wu, Chao Zhang
Abstract: Pre-training neural operators on diverse partial differential equation (PDE) datasets has emerged as a promising direction for building general-purpose surrogate models in scientific machine learning. However, the inherent complexity and structural diversity of PDE solution operators make multi-PDE pre-training fundamentally challenging. Existing methods mainly address this by increasing model capacity, while leaving the target solution operators unchanged. Inspired by classical numerical analysis, we instead propose to transform complex and diverse solution operators into simpler, better-aligned forms that are easier to model jointly. Since the optimal transformation varies across PDE types, it must be adaptive and input-dependent, allowing a single neural operator to approximate an entire family of operators. We instantiate this idea as AOT-POT (adaptive operator-transformation for pre-training operator transformer), which expands hidden representations into multiple parallel streams, adaptively aggregates and redistributes them before and after each sub-layer, and mixes streams through Sinkhorn-projected doubly stochastic matrices for stable training. These mechanisms together reshape diverse solution operators into a unified form that can be effectively modeled by a single architecture. Empirically, AOT-POT achieves state-of-the-art performance on 12 PDE benchmarks with only 3\% additional parameters, reducing relative L2 error by up to 77.6\% (40.9\% on average). Fine-tuning AOT-POT further reduces L2 error by up to 92\% on in-domain PDEs and 89\% on out-of-domain PDEs (unseen types during pre-training), demonstrating that adaptive operator transformation is an effective and complementary direction for advancing PDE foundation models beyond simply scaling model capacity.
Authors: Kai Hidajat
Abstract: Neural operators excel as deterministic surrogates, but inevitably collapse to the conditional mean when applied to stochastic PDEs, discarding the variance and tail structure upon which uncertainty quantification depends. Recovering this structure typically requires Monte Carlo rollouts or grafted generative models, both of which surrender the one-shot efficiency and resolution invariance that define the operator paradigm. To resolve this, we draw on the Doob-Meyer theorem, which establishes that any semimartingale fundamentally decomposes into a predictable drift and an unpredictable, zero-mean martingale. Translating this theorem into an architectural prior, we introduce the Martingale Neural Operator (MNO). MNO maps an initial condition directly to the conditional mean and covariance of the terminal law, parameterized by a drift-like mean and a low-rank factor $B_\phi$ with $B_\phi^\top B_\phi$ positive semi-definite by construction. For our experiments, we use a Gaussian residual instantiation. Across 1D SPDEs, rough volatility, and 2D operator tasks, MNO reduces Wasserstein distance by up to $120\times$ on $\phi^4$ field theory and $68\times$ on stochastic Burgers, evaluating $\sim 3\times$ faster than a conditional diffusion baseline at matched wall-clock training budgets. On 2D tasks, MNO is comparable to FNO on zero-shot resolution transfer and turbulent flow, while quasi-deterministic systems such as Gray-Scott remain a failure mode.
Authors: Guoji Fu, Taiji Suzuki, Wee Sun Lee, Atsushi Nitanda
Abstract: Score-based generative models are trained in high-dimensional ambient spaces, yet many data distributions are supported on low-dimensional nonlinear structures. We prove that, for compact $d$-dimensional smooth manifolds $\mathcal{M} \subset [0,1]^D$ with $d > 2$ and $\beta$-H\"older densities strictly positive on $\mathcal{M}$, a variance-preserving SGM estimator attains the intrinsic Wasserstein--1 sample exponent $\tilde{\mathcal{O}}(D^{\mathcal{O}_\beta(d)}n^{-(\beta+1)/(d+2\beta)})$, up to logarithmic factors and explicit geometry and density factors. The full nonasymptotic bound explicitly isolates the finite-order geometry envelope, H\"older radius, density lower bound, ambient dependence, and finite-order correction terms. The analysis separates score approximation into a large-noise tangent-cell regime and a small-noise projection-centered, de-Gaussianized Laplace regime. The key technical ingredient is a ReLU implementation of nearest-projection coordinates via finite intrinsic anchors and Gauss--Newton iterations, rather than approximating the manifold projection as a black-box high-dimensional smooth map. Consequently, for families with polynomially controlled geometry and density lower bounds, the constructed score-network parameters have polynomial ambient dependence.
Authors: Jacques Raynal, Pierre Slangen, Elsa Raynal, Jacques Margerit
Abstract: Adaptive biomechanical systems may show similar observable gait performance while differing in latent organization and longitudinal behavior. This study examines whether an observed longitudinal transformation of gait organization can be approximated within a predictive latent-space framework, without claiming clinical prediction or causal occlusal effects. Using an exploratory single-subject design in a Parkinsonian participant, gait was recorded with instrumented insoles during two sessions separated by eleven weeks. Six occlusal observational probes were tested: natural occlusion, open-mouth disengagement, strong clenching, two vertical-dimension increases in centric relation, and one vertical-dimension increase with mandibular protrusion. Principal Component Analysis was used to construct a PC1--PC2 latent representation. A simplified supervised machine-learning model, implemented as a feed-forward neural network, was trained to approximate the observed M1--M2 transformation. The primary analysis focused on the three centric-relation conditions and tested whether the displacement hierarchy could be reproduced. The model preserved the ordering OC3 < ONL < OC2.5. The extended six-probe analysis also preserved the global structure of the exploratory displacement pattern, with OC3 and OC3P closely grouped and the highest displacements associated with OC2.5 and open-mouth disengagement. Held-out M2 and leave-condition-out analyses showed condition-dependent approximation variability. These findings do not establish generalizable prediction, therapeutic superiority, causal occlusal effects, or clinical viability forecasting. They support only the restricted conclusion that observed longitudinal latent transformations can be internally approximated within this single-subject dataset, providing a methodological bridge toward future multi-subject predictive viability models.
Authors: Mandar Joshi, Farzana Zahid, Judy Bowen, Matthew M. Y. Kuo, Valeriy Vyatkin, Emil Karlsson
Abstract: Industrial Water Treatment Systems (IWTS) are safety critical cyber-physical infrastructures and due to increased connectivity, these systems are exposed to cyber threats that can manipulate process behaviour without creating obvious devices outliers. In particular, logic-layer deception anomalies can preserve numerically plausible measurements while breaking expected cause-and-effect relationships in the control process. These attacks are difficult to detect using threshold-based monitoring or require heavy server-oriented anomaly detection models. This paper explores the potential of Tiny Deep Learning (TinyDL) to provide lightweight on-device logic-level anomaly detection for resource constrained Programmable Logic Controllers (PLCs). We propose a novel framework, TinyDL-based incremental LSTM (Ti-iLSTM) which optimises the memory and space foot print of Long Short-Term Memory (LSTM), to detect logic-layer inconsistencies in Programmable Logic Controller (PLC) based Industrial Water Treatment Systems (IWTS). Experiments on the publicly available SWaT dataset show that the optimised model achieves high detection performance (F1-score=0.983 and ROC-AUC=0.998). A deployment-style validation on the WADI dataset confirms that the proposed light-weight framework remains applicable beyond a single dataset. The research demonstrates that combining logic-aware supervision with Tiny Deep Learning (TinyDL) sequence learning creates an efficient and accurate anomaly detection suitable for resource constrained Programmable Logic Controllers (PLCs) in industrial environments.
Authors: Mohammad Ali Vahedifar, Abhisek Ray, Qi Zhang
Abstract: Continual learning enables neural networks to learn tasks sequentially without forgetting previously acquired knowledge. However, neural networks suffer from catastrophic forgetting, where learning new tasks degrades performance on earlier ones. We address this problem with Shapley Neuron Valuation (SNV), a principled framework that quantifies Neuron importance in continual learning, grounded in cooperative game theory. SNV selectively freezes important Neurons while keeping others plastic, enabling buffer-free continual learning without expanding architecture. Experiments on ImageNet-1k show that SNV consistently outperforms existing buffer-free methods. In particular, SNV improves accuracy by +2.88% in the class incremental learning and +6.46% in the task incremental learning scenarios compared to the second baseline.
Authors: M\'elanie Cambus, Darya Melnyk, Tijana Milentijevi\'c, Stefan Schmid
Abstract: Robust aggregation is the core operation in Byzantine-tolerant federated learning. To ensure the quality of aggregation independently of data distribution or attacks, validity conditions are needed. They provide geometric guarantees of where the output of the aggregation must lie. The widespread convex validity requires the output to lie in the convex hull of the honest vectors. Although this guarantee is strong in theory, it is poorly suited to modern federated learning systems, as it has dimension-dependent resilience and excludes many practical aggregation rules. We introduce the minimum enclosing ball (MEB) validity condition for robust aggregation, as well as its multiplicative relaxation, $c$-MEB validity, where $c$ is a constant. We show that exact MEB validity still suffers from limited resilience, while relaxed $c$-MEB validity is achievable if a majority of clients is honest, i.e. $n>2t$. We give an optimal MinMax-MEB rule for the relaxed condition with the bound $c<\sqrt{2}$ and prove explicit relaxed-MEB guarantees for standard aggregators including minimum-diameter averaging, medoid and geometric median. Finally, we relate MEB validity to convex, relaxed-convex and box validity studied in prior literature, thus providing a systematic map of geometric validity conditions for Byzantine-robust aggregation. Our results show that relaxed MEB validity connects validity conditions in distributed computing and Byzantine-tolerant aggregation rules, and offers a practical alternative to convex validity.
Authors: Peiyuan Li, Yongqi Huang, Jitao Zhao, Dongxiao He, Di Jin, Weixiong Zhang
Abstract: Heterogeneous Graph Prompt Learning (HGPL)has emerged as a promising paradigm for bridging the gap between the objectives of pre-training foundation models and their downstream applications in heterogeneous graph settings. However, existing HGPL methods are primarily designed for in-domain scenarios, whereas real-world deployments often span multiple domains, and the data used for pre-training and downstream tasks may originate from different distributions. Consequently, the applicability of current HGPL approaches is limited to in-domain settings, and their performance typically degrades when application domains shift. To address this serious limitation, we develop CHoE, a cross-domain HGPL method built upon an expert network. During pre-training, we introduce and train structure-conditioned experts, and during prompt tuning, we adopt a structure-aware expert routing and load balancing mechanism to select structurally compatible experts for each meta-path view. In addition, we design a prompt-based semantic fusion module to integrate representations across multiple views for downstream prediction. Extensive experiments show that CHoE consistently improves performance in few-shot cross-domain applications, outperforming all baseline approaches.
Authors: Atharva Khandait, Jan E. Gerken
Abstract: Diffusion geometry is a manifold learning framework that uses random walks defined by Markov transition matrices to characterize the geometry of a dataset at multiple scales. We use diffusion geometry for neural representations, incorporating tools from multi-view learning into this field for the first time. Our key technical observation is that a broad class of similarity measures based on representational similarity matrices (RSMs) admits a closed-form equivalent formulation in terms of row-stochastic Markov matrices, opening the door to manipulations from diffusion geometry. As a first application, we develop multi-scale variants of Centered Kernel Alignment and Distance Correlation, which utilise the $t^{th}$ power of the underlying transition matrix to probe the data geometry at adjustable diffusion scales. Going further, we introduce variants of these measures which fuse the Markov matrices of several layers via alternating diffusion into a single operator that captures the network's joint sample geometry, allowing similarity to be computed across multiple layers and shifting the comparison from layer-to-layer to network-to-network. We perform extensive numerical experiments, evaluating our measures on the Representational Similarity (ReSi) benchmark comprising 14 architectures trained on 7 datasets across three different domains. Our methods achieve SoTA results in accuracy and output correlation for both language and vision tasks across different models. We furthermore show SoTA performance on an additional benchmark evaluating on out-of-distribution data.
Authors: Inoussa Mouiche, sherif Saad
Abstract: Cybersecurity Knowledge Graphs (CKGs) unify diverse Cyber Threat Intelligence (CTI) sources into structured, queryable formats, offering scalable solutions for automating proactive and real-time security responses. Their increasing adoption has significantly enhanced the workflow and decision-making efficiency of security professionals. However, constructing CKGs requires extracting entity-relation triples from unstructured CTI reports, a task hindered by complex report structure, domain-specific language, and semantic ambiguity. As a result, existing pipeline-based approaches often suffer from error propagation, reducing extraction accuracy and limiting generalizability. This paper introduces the Context-aware Threat Intelligence Knowledge Graph (CTiKG) framework, a pipeline architecture designed to accurately extract and classify threat entities and their relationships from CTI reports. CTiKG incorporates hybrid NLP models that leverage SecureBERT+ contextual embeddings and expert knowledge from a domain ontology to reduce misclassifications and mitigate cascading errors. Experiments on the DNRTI-AUG-STIX2 dataset, which comprises 21 entity types aligned with STIX 2.1, demonstrate significant improvements over state-of-the-art baselines, yielding 3-4% gains in NER and up to 8% in RE performance, based on precision, recall, and F1-score. Additional validation on DNRTI and STUCCO benchmarks confirms the framework's robustness and practical applicability. All datasets, including the curated DNRTI-AUG-STIX2, are released on GitHub to foster reproducibility and further research.
Authors: An Nguyen, Jaesik Choi, Anh Tong
Abstract: Parameter-efficient fine-tuning (PEFT) has emerged as an critical technique for adapting large-scale foundation models across natural language processing and computer vision. While existing methods such as low-rank adaptations achieve parameter efficiency via low-rank weight updates, they are limited in their ability to preserve the geometric structure of pretrained representations. We introduce Low-rank Compositional Orthogonal fine-tuning (LoCO), a novel PEFT method that constructs orthogonal transformations through low-rank skew-symmetric matrices and compositional rotation chains. We propose an approximation scheme that enables fully parallel computation of compositional rotations, making the approach practical for high-dimensional feature spaces. Our method maintains low computational complexity while maintaining orthogonality with controlled approximation error. We validate LoCO across diverse domains, including diffusion transformer fine-tuning, vision transformer adaptation, and language model adaptation. Our method demonstrates superior or competitive performance compared to both existing orthogonal and non-orthogonal methods.
Authors: Yanzhao Su, Fang He, Yineng Wang
Abstract: Accurate multi-step port-of-call sequence prediction is vital for tactical resource orchestration and logistical efficiency. However, existing methods struggle with unreliable voyage schedules and the inability of AIS data to provide visibility beyond the immediate next port. To address this, this study proposes a Connectivity-Constrained and Retrieval-Enhanced (CCRE) deep learning framework. Inspired by Retrieval-Augmented Generation, CCRE introduces a retrieval-enhanced historical encoder that queries a global maritime database for contextually similar navigational precedents. Transforming these scenarios into candidate-level semantic representations compensates for data sparsity in long-tail routes and resolves routing ambiguities. Integrating this with a Transformer-based trajectory encoder, the architecture executes adaptive "middle fusion" via cross-attention. This dynamically shifts predictive reliance from real-time kinematics for short-term accuracy to historical context for long-term strategic stability. To ensure sequence-level coherence, forecasting is formulated as a joint sequence generation problem using an autoregressive Transformer decoder enriched with Scheduled Sampling and Gumbel-Softmax relaxation. This mitigates error accumulation, while topology masks strictly enforce maritime network reachability to eliminate operationally infeasible routes. Evaluated on a global dataset, CCRE achieves a 72.3% first-destination accuracy and a 61.4% average three-step accuracy, outperforming baselines like CatBoost and LSTM by average margins of 12.6% and 11.3%, respectively. Case studies further corroborate the model's scalability and ability to capture complex routing patterns across diverse international trade lanes.
Authors: Yuan-dong Cao, Chi Chiu SO, Jun-Min Wang, He Wang
Abstract: Physics-informed neural networks (PINNs) are powerful surrogates for differential equations but are notoriously difficult to train due to spectral bias, stiffness, and poor accuracy on high-frequency or multiscale solutions. Adversarial training based on generative adversarial networks (GANs) has recently gained surprisingly strong empirical results in improving training, but the underlying mechanisms remain elusive. To this end, we propose a new analysis framework for adversarially trained PINNs, based on the key observation of how the discriminator in GANs can influence the training dynamics of PINNs. The framework first provides a much needed theoretical grounding to why and when adversarial training is effective in PINNs, then presents a unified analysis of GANs variants in such training, and finally leads to a new, practical, efficient training algorithm for PINNs. Empirical results demonstrate that our method can significantly reduce the pathology of PINNs training, thereby providing better models with superior performances, often several magnitudes more accurate than alternative methods.
Authors: Peter Clapham, Lisa Bonheme, Marek Grzes
Abstract: Variational Autoencoders (VAEs) often exhibit a polarised regime in which latent variables separate into active, passive, and mixed subsets. Existing criteria for identifying active dimensions depend on a Gaussian prior, limiting their applicability to variational models and specific priors. We propose a simple information-theoretic classification of the polarised regime based on the entropy of the mean representation. We show theoretically how this entropy couples to KL minimisation through entropy--variance bounds, and we relate the resulting criterion to Bonheme's active/passive conditions. We also clarify a key limitation: entropy of the mean alone cannot reliably distinguish active from mixed dimensions without additional signals from the variance representation. Empirically, we evaluate the entropy criterion on $\beta$-VAEs, identifiable VAEs, Least-Volume Autoencoders, and L2-regularised autoencoders, and find that it consistently recovers a polarised regime when such a regime is present across the model classes studied. Finally, we show that passive dimensions can yield small but consistent improvements on downstream tasks when latent codes are appropriately normalised, suggesting that collapse is often a matter of scale rather than absolute information removal.
Authors: Gwenol\'e Quellec
Abstract: Learning latent representations from complex data is central to modern machine learning, spanning temporal, multimodal, and partially observed systems. In such settings, representations are better understood as latent states capturing underlying system dynamics, rather than as mere compressed summaries of observations. Yet current approaches remain fragmented, relying on distinct -- and often implicit -- assumptions about what these states should represent. We argue that this fragmentation reflects a more fundamental limitation: latent representations are typically learned from underconstrained objectives that fail to specify the properties that meaningful latent states should satisfy. As a result, multiple representations can satisfy the same objective, leading to ambiguity in their structure and interpretation. While many of the underlying principles have been explored in isolation, their interactions have not been explicitly formalized. In this work, we propose constrained latent state modeling (CLSM) as a unifying perspective. We identify a set of core properties -- predictive sufficiency, minimality, temporal coherence, observation compatibility, invariance to nuisance factors, and structural constraints -- and show that they are intrinsically coupled through fundamental trade-offs. Revisiting major modeling families through this lens, we show that existing approaches can be interpreted as enforcing different subsets of constraints, thereby occupying distinct regions of a common design space. This perspective reframes persistent challenges such as lack of identifiability as consequences of underconstrained formulations, rather than isolated technical limitations. More broadly, CLSM provides a principled framework to make design choices explicit, to analyze trade-offs, and to guide the development of more interpretable, robust, and task-aligned latent state models.
Authors: Manuel Graca, L. Miguel Silveira, Arlindo Oliveira, Frank Liu
Abstract: In this paper, we present CT-AGD (Curvature-Tuned Accelerated Gradient Descent), an optimization method for non-convex optimization problems in deep learning training tasks. CT-AGD is a general boosting procedure that accelerates first-order methods by explicitly capturing the local curvature using finite-difference quotients, and the development of heuristics aimed at mitigating noise and bias introduced by stochastic mini-batch training. CT-AGD has a comparable storage and computational overhead as adaptive gradient methods such as Adam. Our extensive experiments demonstrate that CT-AGD achieves the same level of accuracy as the baseline first-order methods, yet reduces the required training epochs by 33% on average.
Authors: Piotr Bia{\l}as, Piotr Korcyl, Tomasz Stebel, Dawid Zapolski
Abstract: Monte Carlo methods are essential across diverse scientific fields, yet their efficiency is frequently hampered by critical slowing down-a sharp increase in autocorrelation times near phase transitions. Although deep learning approaches, such as neural-network-based samplers, have been proposed to alleviate this issue, they face another serious problem: the difficulty of training the models. This difficulty partially stems from the overly general nature of original machine-learning architectures, which often ignore underlying physical symmetries and force networks to relearn them from scratch. In this paper, we demonstrate that incorporating physical priors into the model significantly enhances performance. Building upon existing strategies that integrate spin-spin interactions, we propose a framework that utilizes a prior probability distribution as a starting point for training. Our results for the Ising model, as well as for the Edwards-Anderson spin glass model, suggest that moving away from `blank slate' models in favor of physics-informed priors reduces the training burden and facilitates the simulation of larger system sizes in discrete spin models.
Authors: Shaojun Xu, Xiaoling Zhou, Yihan Lin, Yapeng Meng, Xinglong Ji, Luping Shi, Rong Zhao
Abstract: Model-Based Reinforcement Learning (MBRL) leverages latent imagination for sample efficiency, yet remains constrained by Historical Tethering: imagination is typically initialized from observed states. This creates a learning asymmetry, where the world model's manifold discovery outpaces the policy's sparse-reward optimization. We propose Mind Dreamer (MD), a framework that operationalizes Active Latent Intervention (ALI) to transcend Markovian continuity. MD reformulates discovery as the minimization of a global Relay Manifold Expected Free Energy (R-EFE); by sampling initial states from a learned generator $s_0 \sim p_{gen}(\cdot)$ rather than the historical buffer, MD utilizes an adversarial generator to synthesize non-continuous latent jumps to epistemic blind spots that are physically plausible yet cognitively challenging. To resolve the credit assignment paradox across these spatial ruptures, we derive the Relay Value Function (RVF) and Relay Uncertainty Function (RUF). These potentials treat synthesized anchors as counterfactual intermediary states, propagating pragmatic and epistemic value through a principled Bellman-style formulation. Notably, we prove that uncertainty propagation across discontinuities necessitates a quadratic discount $\gamma^2$, establishing a formal epistemic horizon. Theoretically, MD approximates a variance-minimizing importance sampler that expands the manifold's spectral gap, reducing the hitting time to critical bottleneck states. Empirically, MD achieves a 1.67$\times$ average speedup over DreamerV3 on DeepMind Control Suite, reaching 8.8$\times$ in sparse-reward tasks.
Authors: M\'onika Farsang, Ramin Hasani, Daniela Rus, Radu Grosu
Abstract: State Space Models (SSMs) are inherently recurrent along the sequence dimension, yet depth-recurrence - reusing the same block repeatedly across layers, as recently applied in looped transformers - has not been explored in this model family. We show that a looped SSM with $k$ parameters iterated $L$ times consistently closely matches or outperforms a standard SSM with $k \cdot L$ independent parameters across four architectures (LRU, S5, LinOSS, LrcSSM) and six time series classification benchmarks, despite operating within a strictly smaller hypothesis space, as we formally establish. Since the larger model contains the looped model as a special case, this dominance cannot be explained by expressivity and instead points to parameter sharing across depth as a beneficial inductive bias that simplifies optimization. These results demonstrate that depth-recurrence is orthogonal to sequence-recurrence and independently beneficial. We further show that input reshaping is an equally neglected design axis: concatenating timesteps for low-dimensional inputs, or flattening and rechunking the joint feature-time dimension for high-dimensional ones, yields accuracy gains of 1-6% across all models, confirmed over 5 random seeds. Both techniques provide standalone improvements that compound when combined, suggesting that depth and input reshaping are two independent and underexplored design axes for SSMs on time series.
Authors: Fan Feng, Selena Ge, Minghao Fu, Zijian Li, Yujia Zheng, Zeyu Tang, Yingyao Hu, Biwei Huang, Kun Zhang
Abstract: Recent work has framed decision-making as a sequence modeling problem using generative models such as diffusion models. Although promising, these approaches often overlook latent factors that exhibit evolving dynamics, elements that are fundamental to environment transitions, reward structures, and high-level agent behavior. Explicitly modeling these hidden processes is essential for both precise dynamics modeling and effective decision-making. In this paper, we propose a unified framework that explicitly incorporates latent dynamic inference into generative decision-making from minimal yet sufficient observations. We theoretically show that under mild conditions, the latent process can be identified from small temporal blocks of observations. Building on this insight, we introduce Ada-Diffuser, a causal diffusion model that learns the temporal structure of observed interactions and the underlying latent dynamics simultaneously, and furthermore, leverages them for planning and control. With a modular design, Ada-Diffuser supports both planning and policy learning tasks, enabling adaptation to latent variations in dynamics, rewards, and latent actions. Experiments on simulated control and robotic benchmarks demonstrate its effectiveness in accurate latent inference and adaptive policy learning.
Authors: Ying Chen, Paolo Giudici, Vasily Kolesnikov, Paolo Recchia
Abstract: We propose a variational quantum classifier operating on high dimensional deep representations via amplitude encoding, stabilized by a learnable classical pre encoding layer.By combining normalized amplitude embeddings with bounded quantum observables, the resulting model induces a structured and smooth hypothesis class with controlled sensitivity to input variations. Model reliability is assessed using SAFE-AI metrics derived from the Cramer von Mises divergence, enabling consistent evaluation across accuracy, robustness, and explainability dimensions. Empirical results show that the proposed quantum model provides competitive predictive performance compared with strong classical baselines while exhibiting a more balanced SAFE reliability profile, with improved robustness to noise and stability under structured feature removal. These findings suggest that variational quantum circuits offer a principled mechanism for stability oriented SAFE learning in safety critical settings.
Authors: Antoine Honor\'e, Ming Xiao
Abstract: Timeseries regression models often struggle to leverage large volumes of labeled multimodal data, particularly when the data are irregularly sampled or contain missing values. This is common in domains like healthcare and predictive maintenance, where data are collected from unreliable sources, and labeling requires expert knowledge or costly equipments. Transformer-based large language models have proven effective on structured data such as text through self-supervised learning (SSL) and generative pretraining (GPT) frameworks. However, such models lack the flexibility to efficiently process irregularly sampled multimodal timeseries data. In this paper, we introduce ITGPT, an attention-based architecture designed for handling multimodal, irregularly sampled timeseries by allowing training with both SSL losses and GPT-like objectives. We evaluate its performance on a healthcare task with the TIHM dataset, and a predictive maintenance task with the CompX dataset. Our results demonstrate that ITGPT achieves state-of-the-art performance without requiring resampling, feature fusion or explicit data imputation. Furthermore, when labels are scarce, ITGPT effectively leverages unlabeled data through SSL and GPT training, outperforming the purely supervised approach. This represents an important step towards efficiently using large and unstructured timeseries datasets for practical inference tasks.
Authors: Dayong Ren
Abstract: The paradigm of learning from automatic annotations driven by pre-trained experts and Foundation Models dominates data-hungry applications. However, it introduces a critical challenge: model-induced label noise. Unlike stochastic noise in classical robust learning, this noise stems from annotator inductive biases, manifesting as systematic errors tightly coupled with local feature manifolds. Existing methods relying on global transition matrices underfit these structural patterns, while learning instance-specific matrices remains mathematically intractable. We propose Model-Induced Noise Decoupling (MIND), a theoretically grounded framework addressing this dilemma. We demonstrate that the high-dimensional noise manifold can be decoupled into tractable, subspace-dependent components via Latent Manifold Disentanglement. Specifically, our Latent Decoupling Estimator (LDE) dynamically projects samples into latent structural clusters with consistent error modes, facilitating noise identifiability without ground-truth anchor points. To rigorously evaluate robustness, we adopt a hierarchical protocol: moving from controlled noise on CIFAR-100 to a structural stress test on large-scale real-world 3D datasets (S3DIS, ScanNet), where error patterns explicitly couple with geometric manifolds. Empirically, MIND significantly outperforms state-of-the-art methods on these complex benchmarks and effectively corrects zero-shot hallucinations from Vision-Language Models (e.g., OpenSeg), highlighting its potential as a robust distillation framework for Foundation Models.
Authors: Xiayu Liu, Zhengyi Lu, Hou-biao Li
Abstract: Self-supervised pretraining on molecular graphs has emerged as a promising approach for molecular property prediction, yet most existing methods operate at a single structural granularity and treat bond information as auxiliary edge attributes rather than as an independent semantic layer. In this work, we propose MolCHG, a multi-level self-supervised pretraining framework built upon a novel Compositional Hierarchical Graph that organizes molecular structure into four types of nodes across three semantic levels. By introducing a bond graph that operates in parallel with the atom graph, our architecture elevates bond-level information to independently evolving node representations, enabling fragment nodes to aggregate atom-level and bond-level semantics on an equal footing. We design three level-specific pretraining objectives: an atom-bond cross-view contrastive task that aligns the atom-view and bond-view representations within each fragment, a fragment-level functional group prediction task to inject domain-relevant chemical knowledge, and graph-level structure prediction tasks to encode global molecular topology. Experiments on nine MoleculeNet benchmarks demonstrate that MolCHG achieves the best performance on seven datasets across both classification and regression tasks, remaining competitive with the strongest baselines on the rest. Ablation studies further confirm that the multi-level supervision signals are complementary and that each component contributes to the overall performance.
Authors: Chaimaa Medjadji, Guilain Leduc, Sylvain Kubler, Yves Le Traon
Abstract: Federated Learning (FL) has emerged as a promising paradigm for collaborative model training across distributed edge devices while preserving data privacy especially with the huge increase amount of data due to the adoption of technologies which contributes to the growing number of IoT devices. Storing this amount of data centrally is challenging due to issues like limited communication, privacy, and regulations. FL can be Centralized (CFL), Decentralized (DFL), and Semi-decentralized (SDFL). Choosing the right FL architecture depends on the application's needs. However, very few research studies have experimentally compared these three types of architectures to not only understand the respective strengths and limitations, but also trade-offs between different performance indicators. This paper overcome this lack of analysis, conducting experimental analyses using the Fedstellar simulator, MNIST dataset, and MLP classifier.
Authors: Imane Hocine, Chaimaa Medjadji, Sylvain Kubler, Gregoire Danoy, Yves Le Traon
Abstract: Federated Learning (FL) enables collaborative training across decentralized clients, but most methods assume aligned feature schemas, an assumption that rarely holds in tabular settings where clients observe only partially overlapping feature subsets. In these heterogeneous feature spaces, parameter-averaging methods (e.g., FedAvg) transfer little information across weakly overlapping or disjoint feature groups, limiting their effectiveness for federated imputation. To overcome this, we propose \textbf{FedHF-Impute}, a federated imputation framework that separates structural feature unavailability from conventional missingness and uses a shared global feature graph to propagate information across statistically related features through message passing. This enables indirect cross-client knowledge transfer, even when features are never jointly observed locally, while preserving standard federated communication. Under simulated partial schema overlap on the SECOM and AirQuality datasets, FedHF-Impute improves imputation accuracy (RMSE) over FL baselines by 26.9\%, and 8.4\% respectively, while achieving comparable performance on PhysioNET, with only a 0.3\% difference relative to the best baseline.
Authors: Jinhao Zhang, Kangfei Zhao, Qiuhao Zeng, Long-Kai Huang
Abstract: Transformer-based architectures have become the dominant paradigm for Continuous-Time Dynamic Graph (CTDG) learning, yet their performance remains limited on temporally shifted datasets. In this work, we identify attention dispersion as a shared failure mode of dynamic graph Transformers under temporal distribution shift. Through controlled ablation contrasting structurally and temporally distinguished historical neighbors against random ones, we show that prediction depends on a class of critical nodes that carry consistently more predictive signal than arbitrary neighbors. However, existing Transformers fail to focus on these nodes even when they are present in the input, as temporal shift weakens attention contrast and produces overly dispersed attention distributions. This diagnosis suggests a simple and transferable fix: replace standard attention with differential attention, which suppresses common-mode attention and amplifies distinctive token-level signals. When added to three representative CTDG Transformer baselines, differential attention consistently improves performance, with gains concentrated on high-shift datasets. Attention-level measurements further confirm the mechanism, showing reduced attention entropy and increased attention mass on critical nodes. Building on these findings, we introduce DiffDyG, a reference implementation combining differential attention with standard input encodings. Across 9 benchmarks and three negative sampling protocols, DiffDyG achieves SOTA performance, with especially large gains on the most shifted datasets.
Authors: Sipeng Chen, Junliang Liu, Hewei Tang, Shibo Li
Abstract: The source distribution in conditional flow matching is a design parameter that can be calibrated to data, not a default isotropic prior. We exploit this in Multi-Fidelity Flow Matching (MFFM), a cascade refinement framework for parametric PDE solutions: the source is calibrated to the empirical low-to-high-fidelity residual scale with local Gaussian-blur correlation, and the velocity network is conditioned on the low-fidelity solution. Conditioning makes the residual refinement problem substantially easier than unconditional field generation, while residual-calibrated source noise improves the flow-matching training geometry. A multi-resolution cascade applies the same construction independently between adjacent fidelities. After level-wise flow-matching pretraining, we fine-tune the composed cascade end-to-end with a deterministic one-step rollout, which makes one velocity evaluation per cascade level the optimized operating point at inference. The result is a learned analog of multigrid refinement that reaches the finest grid in $L$ deterministic network evaluations per query. We validate MFFM on eight benchmarks: two super-resolution problems and six spatiotemporal forecasting tasks from PDEBench, The Well, and the FNO Navier--Stokes dataset.
Authors: Bruno Trentini, Dejan Stancevic, Michael M. Bronstein, Alexander Tong, Luca Ambrogioni
Abstract: For a fixed flow-based generative model under a small inference budget, sample quality can depend strongly on where the sampler spends its few function evaluations. Flow matching and Schr\"odinger bridges define probability paths, yet their inference grids are usually heuristic or inherited from one-endpoint diffusion. We derive a conditional-marginal entropy-rate objective for bridge-aware discretization, separating endpoint-conditioned bridge geometry from marginal flow evolution, and use it to build a training-free entropic inference-time scheduler from first principles. For Gaussian Brownian bridges this rate is closed-form and U-shaped, motivating boundary-heavy nonuniform grids. On trained two-dimensional bridge/flow models, the estimated profile recovers the predicted shape and improves 10-step ODE-Heun MMD over linear by 18.1%, with a paired 22.7% SDE-Heun improvement in the same low-NFE sweep. On EDM/CIFAR-10, the entropic time-discretization gives the best tested five-step FID (186.3 \pm 4.0 versus 200.5 \pm 2.9 for linear and 238.0 \pm 5.3 for cosine). On AlphaFlow protein generation, entropic conditional-marginal (cond-marg) scheduling shows advantage in low-NFE regimes on both CAMEO22 and ATLAS benchmarks. These results support entropy-rate scheduling as a practical low-budget allocation signal for high-dimensional bridge and flow samplers.
Authors: Simon Dufort-Labb\'e, Mehrab Hamidi, Razvan Pascanu, Ioannis Mitliagkas, Damien Scieur, Aristide Baratin
Abstract: Sharpness-aware minimization (SAM) encourages flat minima by perturbing parameters along directions of high loss curvature, but treats all parameter directions uniformly, ignoring the underlying loss geometry. We introduce LLQR+SAM, which combines SAM with a learned preconditioner obtained from the recently proposed LLQR framework, a second-order method that recasts steepest descent as a layerwise linear-quadratic regulator problem. The preconditioner is updated sparsely and maintained as a slow exponential moving average, so it captures a smoothed, low-resolution picture of the loss landscape geometry. The SAM perturbation then operates on top of this learned geometry, probing curvature at a faster timescale. We show that this two-timescale structure is not merely a computational convenience: theoretically, the preconditioner amplifies the SAM escape signal in directions that are flat under the average geometry but locally sharp (potholes). Wide, flat basins, by contrast, remain stable. Empirically, LLQR+SAM gives consistent gains over both SAM and LLQR alone across standard vision and sequence modeling benchmarks, supporting the view that slow learned geometry and fast sharpness correction are genuinely complementary.
Authors: Jason Weitz, Dmitri Demler, Benjamin Hawks, Aaron Wang, Nhan Tran, Javier Duarte
Abstract: Neural architecture search (NAS) is a powerful approach for automating model design, but existing methods often optimize for accuracy alone or rely on proxy metrics such as bit operations (BOPs) that correlate poorly with hardware cost. This gap is particularly large for FPGA deployment, where cost is dominated by a multi-dimensional budget of lookup tables, DSPs, flip-flops, BRAM, and latency. We present the Surrogate Neural Architecture Codesign Package (SNAC-Pack), an open-source AutoML framework for hardware-aware neural architecture codesign and end-to-end FPGA deployment. SNAC-Pack runs a multi-objective global search with Optuna and NSGA-II, loading trials to a shared SQLite store that enables parallel workers across compute nodes. A hardware surrogate model outputs per-trial resource and latency estimates, avoiding the synthesis cost that would otherwise dominate the search loop. A local search stage then applies quantization-aware training (QAT) together with iterative magnitude pruning in a combined compression loop, after which the final model is synthesized to FPGA firmware via the hls4ml Python library. A YAML configuration and an optional agentic frontend let users run the pipeline on new datasets without modifying the framework. We demonstrate SNAC-Pack on jet classification at the Large Hadron Collider and superconducting qubit readout, discovering compact architectures that match or exceed strong baselines on the task metric while reducing FPGA resource utilization and, in the qubit readout case, reducing the design space exploration process from months of manual fine-tuning to hours of automated search.
Authors: Vaidehi Bagaria, Nikshep Grampurohit, Pulkit Verma
Abstract: Reinforcement learning (RL) allows vision-language-action (VLA) policies to generalize beyond their training distribution by optimizing directly for task success, but post-training is computationally expensive. A natural response has been to speed rollout collection through faster simulators and world models. In GRPO-based VLA RL, we find that the dominant cost lies elsewhere: gradient computation accounts for approximately 78% of wall-clock time per step in our runs, while rollout collection accounts for only 21%. Gradient cost dominates because much of this computation is spent on phases that contribute little to learning. GRPO's learning signal is driven by advantage variance: only phases where successful and failed rollouts diverge produce learning signal. However, GRPO assigns the same advantage to every chunk in a rollout. As a result, actor-update compute is spent uniformly across the trajectory, including phases the policy already handles after pre-training and supervised fine-tuning. This paper presents Probabilistic Chunk Masking (PCM), a drop-in modification to GRPO that allocates gradient computation to a small, probabilistically selected subset of chunks per trajectory. PCM scores semantic phases using success-failure action variance, a rollout-derived proxy for per-phase gradient variance, and samples a fixed chunk budget with online-updated phase-level keep probabilities. We formalize per-phase gradient variance as the quantity determines where gradient computation is useful and show that success-failure action variance provides a measurable proxy for it. PCM requires no reward model or learned critic. On three LIBERO benchmarks, PCM matches the final success rate of standard GRPO while achieving 2.38 times wall-clock speedup, 4.8 times faster gradient updates, and 60% lower peak activation memory, while backpropagating through fewer than 20% of trajectory chunks.
Authors: Hazhir Aliahmadi, Irina Babayan, Greg van Anders
Abstract: Despite their ubiquity, variational autoencoders (VAEs) inherently suffer from posterior collapse, a failure mode in which latent variables are effectively ignored. This failure arises because explicit prior imposition drives optimization toward loss landscape regions corresponding to uninformative latent representations. Here, we introduce Entropic Autoencoders (EAEs), a framework in which reconstruction loss is the only explicit objective, and entropy generates the latent variables' prior implicitly through a free energy-minimizing ensemble of encoders. This ensemble biases learning toward high-volume regions of near-optimal solutions, while decoder updates direct the search trajectories toward informative latent representations. We demonstrate that EAEs mitigate posterior collapse by learning non-Gaussian, multimodal latent distributions that yield diverse, data-consistent generations and preserve different forms of underlying structure in the data. As a proof-of-concept, we show that an EAE captures a superposition of the known low-dimensional dynamics of a reaction-diffusion process. Then, we show that an EAE identifies implicit categorical distinctions in MNIST latent representations, and displays a hierarchical understanding of facial structure on the CelebA dataset, from an "all-human" face to individual-dependent features.
Authors: Yifan Zhang, Liang Zheng
Abstract: Real-world control systems frequently operate under \emph{piecewise stationary} conditions, where dynamics remain stable for extended periods before undergoing abrupt regime changes. Standard robust RL methods face a fundamental dilemma: a globally conservative policy wastes performance during stable periods, while a locally adaptive policy risks catastrophic failure when the regime changes undetected. We propose \textbf{BAPR} (Bayesian Amnesic Piecewise-Robust SAC), which unifies Bayesian Online Change Detection (BOCD) with robust ensemble RL. The BAPR operator -- a convex combination of mode-conditional Bellman operators weighted by a frozen belief distribution -- is a $\gamma$-contraction. A complementary counterexample, machine-verified in Lean~4, establishes a \emph{sharp boundary}: when beliefs depend on the Q-function, the contraction factor becomes $\gamma + \lambda\Delta$ (where $\Delta$ is the mode reward gap), and contraction fails exactly when $\gamma + \lambda\Delta \geq 1$. We derive a \emph{component-wise} formal error budget for the abstract operator -- every component machine-verified -- bounding post-switch recovery; the budget applies to the abstract mode-mixture operator and inherits to the implemented shared-critic algorithm only through the frozen-parameter design intuition. All results are formally verified with no \texttt{sorry} (1,145 lines across 3 Lean~4 files, 22 machine-verified theorems). BOCD drives an adaptive conservatism mechanism: the policy becomes maximally conservative after detected change-points and smoothly relaxes as confidence grows, with detection delay $O(\log(1/\delta))$. A context-conditioning module trained via RMDM loss provides mode-aware representations from simulator-provided mode IDs at training time and requires no mode labels at deployment.
Authors: Fateme Golivand, Michael Skinner, Saurabh Mathur, Ameet Soni, Phillip Reeder, Kristian Kersting, Lakshmi Raman, Sriraam Natarajan
Abstract: Pediatric critical care is a dynamic, high-stakes process involving constant monitoring and adjustments in life-saving treatments. Modeling these interventions is crucial for effective decision support. To address the challenges of high complexity and data scarcity in pediatric Extracorporeal Membrane Oxygenation (ECMO), we frame clinical decision-making as learning to act from trajectories, i.e., imitation learning that learns action models from observational data, with a key feature that actions are not directly observed. We consider TabPFN, a recent transformer-based approach for tabular data, and traditional baselines including XGBoost and Multi-Layer Perceptrons(MLPs) on real-world pediatric ECMO data to learn the action models. We find that the TabPFN-based approach consistently outperforms these classical baselines, supporting its use as a strong clinician-behavior baseline for pediatric ECMO decision support.
Authors: Zhuoyuan Li, Aiqing Zhu, Qianxiao Li
Abstract: Traditional scientific modeling typically begins with fixed, instance-wise effective equations and then carries out equation-specific analysis and computation, a procedure that becomes exceptionally challenging in complex applications such as multiscale systems. We propose an alternative paradigm by learning mesoscopic dynamics within a mathematically constrained hypothesis class. Building upon a generalized Onsager principle, we introduce a unified framework encompassing both dissipative and conservative mesoscopic dynamics. We establish uniform and a priori theoretical guarantees, including global well-posedness, asymptotic stability, unique factorization identifiability, and discrete energy dissipation, applicable to all spatio-temporal evolution equations within this hypothesis class prior to all learning stages. Data from each problem instance is then used to guide the identification of members within our hypothesis class, giving rise to accurate, robust and interpretable dynamical models. We empirically validate this framework on both data from continuum PDE models as a check, and on data arising from microscopic chain models for which exact meso-scale models are unknown. The proposed approach not only acts as an effective dynamics learner, but also offers vital interpretable diagnostics of the underlying physics.
Authors: El Mustapha Mansouri
Abstract: Differential privacy changes the effective sample size governing CVaR learning. For tail mass $\tau$, the privacy-relevant sample size is not $n$, but $n\tau$; equivalently, the effective private tail sample size is $\epsilon n\tau$. Private CVaR excess risk decomposes into ordinary tail-risk statistical error and a privacy price. This decomposition is complete for scalar estimation and finite classes: scalar estimation has rate $\Theta(B \min\{1,(n\tau)^{-1/2}+(\epsilon n\tau)^{-1}\})$, and finite classes of size $M$ have rate $\Theta(B \min\{1,\sqrt{\log(2M)/(n\tau)}+\log(2M)/(\epsilon n\tau)\})$. These complete rates hold under pure DP, and their lower bounds extend to approximate DP in the stated small-$\delta$ regimes. For convex Lipschitz learning, modular upper and lower reductions show that the CVaR-specific privacy term necessarily scales as $1/(\epsilon n\tau)$, with dimension dependence inherited from private stochastic convex optimization. Together, these results identify ordinary private learning on $\Theta(n\tau)$ informative tail records as the canonical hard subproblem inside private CVaR learning.
Authors: Gabriel Garcia
Abstract: When researchers ask whether two transformer layers are "equivalent" for compression, they often conflate distinct tests. Replacement asks whether one layer's map can substitute for another's in place; interchange asks whether two layers approximately commute when their positions are swapped. Both are output-grounded swap-KL probes, but they need not agree: on pretrained transformers the protocol gap can change which layers look safe to prune by several-fold under the same evaluator, especially when replacement distances are high. We measure both protocols across checkpoints and architectures. On a Pythia training trajectory (410M and 1.4B), the replacement-interchange gap grows from initialization to convergence. Under one matched WikiText-2 contract at 8B scale, Qwen3-8B enters a divergent regime: interchange-guided removal is several-fold safer than replacement-guided at the same layer budgets, while Llama-3.1-8B ties the two protocols for pruning cost even though interchange KL is lower, showing metric gaps need not map one-to-one to removal. Before layer removal or merging, score both swap-KLs on the target checkpoint; the diagnostic requires only unlabeled forward passes.
Authors: Shuchan Wang
Abstract: We introduce a dynamics-level approach to watermarking generative models. Rather than embedding signals into model weights or outputs, we embed the watermark directly into the learned continuous dynamics -- the velocity field of a flow matching model. We formulate this as random coding over a continuous channel: a key-dependent perturbation is added during training, and the message is recovered at detection time from black-box queries. The perturbation is designed to leave the generated distribution unchanged. Experiments on MNIST and CIFAR-10 across different architectures confirm reliable message recovery, preserved generation quality, and chance-level decoding accuracy without the secret key.
Authors: Arthur Fyon, Julien Brandoit, Loris Mendolia, Damien Ernst, Jean-Michel Redout\'e, Guillaume Drion
Abstract: Always-on AI applications, from environmental sensors to biomedical implants, require ultra-low power consumption. Analog circuits offer a path to sub-microwatt inference, yet existing analog implementations are limited to feedforward architectures: extending them to recurrent dynamics has been considered impractical due to noise accumulation through temporal feedback. We demonstrate that this barrier can be overcome through hardware-software co-design. Specifically, we identify that Bistable Memory Recurrent Units (BMRUs), a class of Recurrent Neural Networks (RNNs) with discrete-valued outputs and hysteretic dynamics, admit an ultra-low power current-mode analog implementation which we design from first principles. The resulting circuit establishes a one-to-one correspondence between each learned parameter and a circuit element. The discrete outputs suppress analog noise by at least 20-fold at each cell boundary, breaking the noise accumulation that prevents analog recurrence. We reformulate BMRUs for first-quadrant operation with fixed thresholds, enabling the direct correspondence while preserving expressivity and trainability. Transistor-level simulations in 180 nm Complementary Metal-Oxide-Semiconductor (CMOS) show near-perfect agreement between software predictions and circuit-level behavior, with the software model thereby serving as a high-fidelity simulator of the physical hardware at low computational cost. We leverage this fidelity to conduct large-scale noise immunity and power scaling analyses: the power cost of adding recurrence scales linearly with state dimension, while the feedforward layers dominating total power scale quadratically, meaning recurrence is added at linear marginal cost relative to the feedforward backbone. End-to-end keyword spotting achieves sub-microwatt inference at the RNN core.
Authors: Jagdish Tripathy, Marcus Buckmann
Abstract: Instruction-tuned language models exhibit behavioural fairness in high-stakes decisions while retaining biased associations in their internal representations. However, whether these suppressed representations can affect model outputs - and whether such causal potency is symmetric across demographic groups - remains unknown. We investigate the use of open-weight models for mortgage underwriting using matched applications that differ only in racially-associated names and reveal a critical disconnect: models show no output-level bias, yet retain and amplify demographic representations across model layers. Through activation steering and novel cross-layer interventions, we demonstrate that this suppressed information is decision-relevant: when reinjected at critical layers, it produces near-complete decision reversals. Critically, this latent bias is asymmetric - steering interventions affect decisions in one demographic direction, while producing minimal effects in reverse - and susceptible to adversarial prompt engineering and parameter-efficient fine-tuning. These findings demonstrate that behavioural audits focused on outputs are insufficient: fair outputs can mask exploitable internal biases. They also motivate dual-layer testing frameworks combining output evaluation with representational analysis for AI governance in high-stakes decisions.
Authors: Michael Y. Hu, Apurva Gandhi, Kyunghyun Cho, Tal Linzen, Pratyusha Sharma
Abstract: Data mixing decides how to combine different sources or types of data and is a consequential problem throughout language model training. In pretraining, data composition is a key determinant of model quality; in continual learning and adaptation, it governs what is retained and acquired. Yet existing data mixing methods address only one phase of this lifecycle at a time: some require smaller proxy models tied to a single training phase, others assume a fixed domain set, and continual learning lacks principled guidance altogether. We argue that data mixing is fundamentally an online decision making problem -- one that recurs throughout training and demands a single, unified solution. We introduce OP-Mix (On-Policy Mix), a data mixing algorithm that operates across the entire language model training lifecycle. Our main insight is that candidate data mixtures can be cheaply simulated by interpolating between low-rank adapters trained directly on the current model, eliminating separate proxy models and ensuring the search is always grounded in the model's actual learning dynamics. Across pretraining, continual midtraining, and continual instruction tuning, OP-Mix consistently finds near-optimal mixtures while using a fraction of the compute of the baselines. In pretraining, OP-Mix improves upon training without mixing by 6.3% in average perplexity. For continual learning, OP-Mix matches the performance of both retraining and on-policy distillation while using 66% and 95% less overall compute, respectively. OP-Mix suggests a different view of language model training: not a sequence of distinct phases, but a single continuous process of learning from data.
Authors: Jun He, Deying Yu
Abstract: Modern cloud and enterprise systems rely on identity-centric authorization, assuming that callers possessing valid credentials are safe to execute commands. The emergence of autonomous AI agents invalidates this assumption: agents can generate syntactically valid but semantically unsafe actions, making standing privileges a significant operational risk. This risk becomes especially acute in sovereign AI systems, where autonomous agents may interact with cloud infrastructure, regulated data, financial workflows, and national-scale digital services. Governed mutation substrates reduce this risk by interposing on agent actions: agents submit intents, infrastructure evaluates context and policy, and execution is mediated. However, this shifts the trust boundary: how can the decision to authorize an intent be made verifiable, distributed, and replayable? We introduce a Distributed Trust Framework (DTF), a verification framework for governed mutation systems that computes execution authority from structured, verifiable artifacts. DTF introduces a Justification Proof to encode the admissibility basis of an action, a consensus model for independent evaluation, an ephemeral Execution Identity derived from the approved proof, and an append-only Evidence Chain that preserves the authorization lifecycle. Under stated substrate assumptions, this architecture enforces a compact authorization invariant: no high-stakes execution without a proof object, no derived authority without consensus, and no valid mutation detached from evidence. We define the model, instantiate it over an OpenKedge-based governed mutation substrate, and show how it maps onto cloud-native environments. By shifting authorization from standing identity to proof-derived authority, DTF provides an infrastructure foundation for making agentic execution governable, auditable, and bounded in sovereign AI deployments.
Authors: Yang Liu, Ernest Fokoue, Richard Lange, Daniel Krutz
Abstract: This paper investigates the critical role of eigenalignments between the kernel matrix and learning targets in achieving robust generalization in learning problems. We establish a direct connection between generalization performance in kernel methods and the estimation of eigenvectors and eigenvalues of matrices, offering a more intuitive understanding compared to prior work with minimal assumptions. We also show that, since the prediction task in KRR is essentially the weighted sum of eigenvectors/singular vectors, by analyzing how much error can be caused by perturbations to the kernel matrix, we can then derive a bound on this generalization error using the estimation stability of matrix eigenvalues and eigenvectors. Compared with previous work, our analysis concentrates on finite-sample settings and on the generalization error arising from having a suboptimal finite training set. Our findings reveal that in kernel methods, as long as the kernel is of high rank, the near-zero reconstruction error can be trivially obtained, implying that the reconstruction error will have limited predictive power for generalization. Finally, we establish a generalization bound from an eigenvalues/eigenvectors estimation perspective, showing that strong generalization requires increasing eigenvector alignment, eigenvalue magnitude, or gaps between consecutive eigenvalues.
Authors: Rabin Kunwar, Dikshya Parajuli, Rujal Acharya, Romik Gosai, Prince Panta, Kundan Siwakoti, Shuvangi Adhikari, Saugat Kafley, Louis Digiorgio, Amit Regmi, Akio Tanaka, Masahiko Inada, Yuriko Komagamine, Kennta Kashiwazaki, Manabu Kanazawa
Abstract: Single-unit crown restoration is among the most common procedures in clinical dentistry, with CAD/CAM workflows now designing crowns directly from intraoral scans. Partial scans are often preferred over full-arch scans for single-unit cases due to fewer stitching errors, yet most segmentation networks trained on full arches fail on partial scans, while end-to-end generative crown methods often produce over-smoothed surfaces that lose occlusal detail. We propose an end-to-end pipeline that takes a raw intraoral scan and target FDI tooth number as input and outputs an initial, patient-specific crown proposal for clinician refinement. The pipeline has three phases: (I) data preparation and pose standardization; (II) segmentation routed by scan type; and (III) crown proposal generation via context-aware retrieval and Blender-based fitting. We address partial-scan segmentation through a classify-then-align strategy: a DGCNN classifier categorizes the scan into one of five anatomical types, then coarse-to-fine RANSAC+ICP registration standardizes the jaw coordinate frame, followed by graph-cut optimization to refine tooth-gingival boundaries. Trained on 1,958 partial scans, the pipeline achieves macro-average DSC 0.9249, Recall 0.8919, and Precision 0.9615 across 17 semantic classes; a fine-tuned full-arch model reaches DSC 0.9347. The prepared tooth and its mesial and distal neighbors achieve DSC 0.9468-0.9569 with sub-millimeter Centroid Errors (0.2666-0.2774 mm). These centroids anchor a retrieval module using DGCNN embeddings and cosine similarity over neighboring and opposing teeth, followed by spline-guided alignment and Blender Python API refinement. The pipeline produces a preliminary crown shell in 2.5-3.5 minutes, offering a practical alternative to end-to-end generative approaches.
Authors: Stavros Bouras, Ioannis Korontanis, Antonios Makris, Konstantinos Tserpes
Abstract: AI models are increasingly deployed in cloud-native environments to support scalable and automated services. However, while platforms such as Kubernetes provide strong infrastructure orchestration, security mechanisms specifically designed to protect deployed AI models remain limited. This paper presents security measures for AI models deployed in Kubernetes clusters. The proposed architecture integrates Kubeflow-based MLOps to automatically detect adversarial attacks during the inference phase and trigger defense mechanisms that preserve the model's accuracy and reliability. Specifically, a Fast Gradient Sign Method (FGSM) attack is applied at inference time, and a Projected Gradient Descent (PGD)-based adversarial training defense is automatically deployed when a degradation in accuracy is detected. The experimental results indicate that the deployed defense robustifies the model, significantly recovering accuracy relative to the degradation caused by the attack.
Authors: Caoliwen Wang, Minghao Guo, Siyuan Chen, Heng Zhang, Mengdi Wang, Xingyu Ni, Hanson Sun, Kunyi Wang, Zherong Pan, Kui Wu, Lingjie Liu, Yin Yang, Chenfanfu Jiang, Taku Komura, Wojciech Matusik, Peter Yichen Chen
Abstract: A unified simulator that can model diverse physical phenomena without solver-specific redesign is a long-standing goal across simulation science. We present a learning-based particle simulator built on a single transformer architecture to model cloth, elastic solds, Newtonian and non-Newtonian fluids, granular materials, and molecular dynamics. Our model follows a prediction-correction design on a shared Lagrangian particle representation. An explicit predictor first advances particles under the known external forces, producing an intermediate state that captures externally driven motion but not inter-particle interactions. A learned corrector then predicts the residual position and velocity updates through three stages: a particle tokenizer that encodes local particle-particle, particle-boundary, and topology-guided interactions; a super-token encoder that hierarchically merges particle tokens into a compact set of super tokens via alternating self-attention and token merging; and a super-token decoder that lifts these super tokens back to particle resolution through cross-attention to predict per-particle position and velocity corrections. Progressive token merging reduces the attention cost at successive encoder layers by halving the token count at each level, and the decoder communicates through the compact super-token set rather than full particle-to-particle attention. Across the six dynamics categories, the same architecture generalizes to unseen materials, boundary configurations, initial conditions, and external forces. We further demonstrate downstream interactive control, inverse design, and learning from real-world manipulation data, reducing the need for per-phenomenon solver engineering.
Authors: Jiachen Jiang, Huminhao Zhu, Zhihui Zhu
Abstract: LLM-driven program evolution has emerged as a powerful tool for automated scientific discovery, yet existing frameworks offer no principled guide for designing their individual components and provide no guarantee that the search converges. We introduce SMCEvolve, which recasts program search as sampling from a reward-tilted target distribution and approximates it with a Sequential Monte Carlo (SMC) sampler. From this view, three core mechanisms emerge as principled components: adaptive parent resampling, mixture of mutation with acceptance, and automatic convergence control. We further provide a finite-sample complexity analysis that bounds the LLM-call budget required to reach a target approximation error. Across math, algorithm efficiency, symbolic regression, and end-to-end ML research benchmarks, SMCEvolve surpasses state-of-the-art evolving systems while using fewer LLM calls under self-determined termination. The code is available at https://github.com/kongwanbianjinyu/SMCEvolve.
Authors: Thuan Hoang Nguyen, Jiahao Luo, Yinyu Nie, Hao Li, Gordon Guocheng Qian, Jian Wang
Abstract: Avatar reconstruction has traditionally relied on per-subject optimization that requires hours of computation or on expensive preprocessing that limits scalability. We introduce FFAvatar, a generalizable feed-forward framework that reconstructs high-quality, animatable 3D Gaussian head avatars from few-shot unposed portrait images in seconds. FFAvatar fuses information from multiple source images into a unified canonical Gaussian representation through Multi-View Query-Former, which is animated via FLAME parameters predicted end-to-end directly from pixels, eliminating the overhead of offline FLAME extraction. We further propose a three-stage training curriculum that achieves both broad generalization and high-fidelity reconstruction: (i) scalable pretraining on extensive monocular video data with over 1M identities to learn strong generalizable priors; (ii) multi-view fine-tuning on a small but high-quality dataset of 360-degree captures to enhance geometric fidelity and extreme-view awareness; and (iii) optional personalization that adapts to specific identities for maximum fidelity within 500 optimization steps. Extensive experiments demonstrate that FFAvatar sets a new standard for identity preservation, geometric consistency, and animation fidelity. On the NeRSemble benchmark, it outperforms the state-of-the-art LAM by a substantial 5.5 PSNR gain. Furthermore, FFAvatar enables real-time deployment, reconstructing avatars in 2 seconds without personalization and 10 seconds with personalization, while supporting 49 FPS animation on a single NVIDIA A100 GPU.
Authors: Arsha Nagrani, Jasper Uijilings, Shyamal Buch, Tobias Weyand, Sudheendra Vijayanarasimhan, Bo Hu, Ramin Mehran, David A Ross, Cordelia Schmid
Abstract: Video reasoning models are a core component of egocentric and embodied agents. However, standard benchmarks for assessing models provide only evaluation of the output (e.g. the answer to a question), without evaluation of intermediate reasoning steps, and most provide answers only in the text domain. We introduce Minerva-Ego, a benchmark for evaluating complex egocentric visual reasoning. We extend recent high-quality video data sources recorded from egocentric / embodied settings with a set of challenging, multi-step multimodal questions and spatiotemporally-dense human-annotated reasoning traces. Benchmarking experiments show that state-of-the-art models still have a large gap to human performance. To investigate this gap in detail, we annotate each reasoning trace in the dataset with the objects of interest required to solve the question, as spatiotemporal mask annotations. Through extensive evaluations, we identify that prompting frontier models with hints of 'where' and 'when' to look yields substantial improvements in performance. Minerva-Ego can be downloaded at https://github.com/google-deepmind/neptune.
Authors: Joshua C. Yang, Maurice Flechtner, Damian Dailisan, Michiel A. Bakker
Abstract: LLM-based agents are increasingly used to simulate deliberative interactions such as negotiation, conflict resolution, and multi-turn opinion exchange. Yet generated transcripts often do not reveal why an agent's stance changes: movement may reflect evidence uptake, anchoring, role drift, echoing, or changed prompt and retrieval context. We introduce the Belief Engine (BE), an auditable belief-update layer that treats "belief" as an evidential state over a proposition and exposes it as scalar stance. BE extracts arguments into structured memory and updates stance with a log-odds rule controlled by evidence uptake u and prior anchoring a. Across multiple base LLMs, parameter sweeps show that these controls reliably shape stance dynamics while preserving an evidence-level update trail. On DEBATE, a human deliberation dataset with pre/post opinions, BE best reconstructs participants whose final stance follows extracted evidence; stable and evidence-opposed cases instead point to anchoring or factors outside the extracted evidence stream. BE provides configurable infrastructure for studying evidence-grounded deliberation, where openness, commitment, convergence, and disagreement can be tied to explicit update assumptions rather than hidden prompt effects.
Authors: El Mahdi Chayti
Abstract: Stochastic compositional optimization minimizes objectives of the form $\min_{\bm{x} \in \mathcal{X}} F(\bm{f}(\bm{x}), \bm{x})$, where $\bm{f}$ is accessible only through noisy stochastic queries. Existing methods for this problem assume that the outer function $F$ is continuously differentiable, which excludes many practically important applications such as robust max-of-losses, Conditional Value-at-Risk, and norm regularizers. We propose the Hybrid Momentum Stochastic Frank--Wolfe algorithm, which drops the smoothness assumption on $F$. By combining a momentum-based Jacobian tracker with a Taylor-corrected function tracker, the algorithm feeds an entire stochastic linearization -- rather than a single gradient -- into a generalized linear minimization oracle. We establish an $\mathcal{O}(K^{-1/4})$ convergence rate in the generalized Frank--Wolfe gap for non-convex objectives with $L_F$-Lipschitz outer functions, matching the optimal complexity for projection-free single-sample stochastic methods under expected smoothness. The analysis extends to heavy-tailed noise oracles with bounded $r$-th moments for $r \in (1, 2]$ and recovers the deterministic rates of Vladarean et al (2023) as the noise vanishes.
Authors: Daniel Franzen, Jean Philip Filling, Michael Wand
Abstract: Group-convolutional neural networks (GCNNs) are among the most important methods for introducing symmetry as an inductive bias in deep learning: In each linear layer, GCNNs sample a transformation group $G$ densely and correlate data and filters in different poses (with suitable anti-aliasing for steerable GCNNs) to maintain equivariance with respect to $G$. Unfortunately, applying filters to many data items resulting from this sampling is expensive (even for translations alone, i.e., in ordinary CNNs), and costs grow exponentially with increasing degrees of freedom (such as translations and rotations in 3D), which often hinders practical applications. In this paper, we propose sampling in feature space, i.e., replacing geometrically dense samples with representative samples selected by feature similarity. This decouples geometric resolution from memory and processing costs during training and inference, providing a novel way to trade off computational effort and accuracy. Our main empirical finding is that a coarse feature-space sampling already preserves classification accuracy remarkably well, which permits precomputation based on geometric similarity, accelerating the training of equivariant 3D classifiers substantially.
Authors: Taha Gharaibeh, Jyotsna Sharma
Abstract: Accurate salt-body delineation is essential for seismic interpretation because salt structures distort wave propagation, complicate velocity-model building, obscure reservoir geometry, and increase uncertainty in exploration and drilling decisions. Although hybrid quantum-classical models have shown competitive performance on small-scale image-classification tasks, their value for dense, pixel-level geophysical prediction remains largely untested. This work introduces quantum feature gating, a hybrid segmentation architecture that embeds a parameterized quantum circuit (PQC) at feature-fusion points within an encoder-decoder pipeline. A 4-qubit, 2-layer PQC with data re-uploading computes a learned convex combination of lateral and top-down features at each Feature Pyramid Network merge point. A global-average-pooling layer maps encoder features to a fixed 4-dimensional quantum input, decoupling the 72-parameter quantum budget from backbone size and image resolution. The method is evaluated on the 2018 TGS Salt Identification Challenge using 4,000 seismic images at 101 x 101 resolution, across two integration topologies, eight circuit variants, and six encoders with 8M to 118M parameters under five-fold cross-validation. In a controlled EfficientNetV2-L ablation at 256 x 256 resolution, replacing the three Quantum FPN Gates with element-wise addition while holding the encoder, loss schedule, splits, and threshold search fixed reduces mean IoU from 0.9389 to 0.8404, a 9.85 percentage-point gap. Inserting the same circuit as skip-connection attention in a custom U-Net improves IoU by 0.88 points over the SolidUNet baseline, showing that the PQC contribution depends on where and what it gates. These results provide controlled evidence that quantum feature fusion can improve dense seismic segmentation.
Authors: Huan-Hsin Tseng, Yan Li, Hsin-Yi Lin, Samuel Yen-Chi Chen
Abstract: Adaptive Non-local Observables (ANOs) have shown that making quantum observables dynamic can substantially enlarge the function space of Variational Quantum Algorithms, partly shifting hardware demands from circuit synthesis to measurement design. However, this advantage is accompanied by a steep increase in the number of parameters, as well as the classical optimization cost for varying general Hermitian observables. We propose a special form of ANO that significantly reduces this burden by considering only diagonal observables paired with quantum circuits. Mathematically, this is equivalent to the full ANO of a large parameter space since diagonal matrices are canonical representatives of the ANO space modulo unitary similarity. As a result, Diagonal ANO retains the same capability of full ANO while reducing $k$-local observable complexity from $O(4^k)$ to $O(2^k)$ and lowering the corresponding measurement-side classical computation. In this sense, diagonal ANO preserves much of the benefit of full ANO while encompassing conventional VQCs as a special case.
Authors: Yingying Fan, Yuxuan Han, Jinchi Lv, Xiaocong Xu, Zhengyuan Zhou
Abstract: We study contextual dynamic pricing in a semiparametric scalar-index valuation model where the latent value is $v_t=\mu_\ast(\mathsf c_t)+\xi_t$, with an unknown utility map $\mu_\ast$ and an unknown additive noise distribution. The key decision object is the one-dimensional oracle price map $u\mapsto p^\ast(u)$ induced by the scalar index $u=\mu_\ast(\mathsf c)$ and the noise tail. Under the $\beta$-H\"older smoothness of the tail function for $\beta\geq 2$ and a revenue-geometry condition that gives a unique, stable, interior maximizer, this oracle map is itself $(\beta-1)$-smooth. We exploit such structure through $\mathsf{ORBIT}$, a modular coarse-to-fine policy that takes a scalar pilot index as input, localizes a benchmark price in each active bin, and learns a local polynomial approximation of the oracle map inside a trust region via bandit convex optimization. For the baseline linear utility model $\mu_\ast(\mathsf c)=\mathsf c^\top\theta_\ast$, an adaptive elliptical exploration scheme constructs the required scalar pilot online without distributional assumptions on the contexts. The resulting policy achieves regret $\widetilde{O}\big(T^{\frac{2\beta-1}{4\beta-3}}+\sqrt{dT}\big)$. For fixed $d$, we establish a matching lower bound in the horizon dependence, unveiling that the nonparametric oracle-map learning term is minimax sharp. The same scalar-pilot interface also yields extensions to sparse high-dimensional linear utility and nonparametric H\"older utility.
Authors: Mahdi Naser-Moghadasi, Faezeh Ghaderi
Abstract: This paper presents a comprehensive analysis of neural activation patterns across six distinct large language model (LLM) architectures, examining their performance on twelve cognitive task categories. Through systematic measurement of final activation values, attention entropy, and sparsity patterns, we reveal fundamental differences in how encoder and decoder architectures process diverse cognitive tasks. Our analysis of 144 task-model combinations demonstrates that mathematical reasoning consistently produces the highest attention entropy across all architectures, while decoder models exhibit significantly higher sparsity patterns compared to encoder models. The findings provide critical insights into the computational characteristics of modern language models and their task-specific neural behaviors, with implications for model selection and optimization in big data applications.
Authors: Chunming He, Rihan Zhang, Dingming Zhang, Chengyu Fang, Longxiang Tang, Jingjia Feng, Fengyang Xiao, Sina Farsiu
Abstract: Concealed Object Segmentation (COS) encompasses a family of dense-prediction tasks, including camouflaged object detection, polyp segmentation, transparent object detection, and industrial defect inspection, where targets are visually entangled with their surroundings through different physical mechanisms. Existing methods either operate directly on RGB images or employ \emph{heterogeneous} decompositions (\eg, Fourier, wavelet) that redistribute spatial evidence across scale/frequency coefficients, making pixel-aligned cues less direct. We introduce a fundamentally different perspective: \textbf{homogeneous image decomposition} via Retinex theory, which factorizes an image into illumination and reflectance components within the \emph{same} spatial domain. Our key insight is that visual entanglement enforces appearance matching in the composite space, but this does \emph{not} necessitate simultaneous matching in both component spaces, a phenomenon we formalize as the \textbf{Discriminability Gap Theorem}. Crucially, we show that across diverse COS sub-tasks, the underlying physical processes systematically anti-correlate illumination and reflectance differences, yielding theoretical guarantees that Retinex decomposition preserves or strictly improves total foreground--background discriminability across the full physical regime, with anti-correlation maximizing the gain. Building on this, we propose \textbf{RIDE} comprising: (i) a Task-Driven Retinex Decomposition module that learns segmentation-optimal factorizations end-to-end; (ii) a Discriminability Gap Attention mechanism that adaptively exploits where decomposition helps; and (iii) a Camouflage-Breaking Contrastive loss operating in reflectance feature space.
Authors: Anders Gj{\o}lbye, Lars Kai Hansen, Sanmi Koyejo
Abstract: Reasoning-trained language models often spend more tokens on harder problems, but longer chains of thought do not show whether a model is merely computing for more steps or following a different internal trajectory. We study this distinction through hidden-state trajectories during chain-of-thought generation across competitive programming, mathematics, and Boolean satisfiability. Raw trajectory geometry is strongly shaped by generation length: longer generations mechanically alter path statistics, so difficulty-dependent comparisons are misleading without adjustment. After residualizing trajectory statistics on length, difficulty remains systematically coupled to corrected trajectory geometry across all domains studied. The clearest reasoning-specific separation appears in the code domain, where harder problems show more direct corrected trajectories and less heterogeneous local curvature in reasoning-trained models than in matched instruction-tuned baselines. Corrected difficulty-geometry coupling is weaker, but still present, in mathematics and Boolean satisfiability. Prompt-stage linear probes do not mirror the code-domain separation, and behavioral annotations show that stronger corrected coupling co-occurs with strategy shifts and uncertainty monitoring. Together, these findings establish length correction as a prerequisite for generation-time trajectory analysis and show that reasoning training can be associated with distinct corrected trajectory geometry, with the strength of the effect depending on the domain.
Authors: Libo Sun, Po-wei Harn, Peixiong He, Xiao Qin
Abstract: Mixture-of-Experts (MoE) networks promise favorable accuracy-compute trade-offs, yet practical vision deployments are hindered by expert collapse and limited end-to-end efficiency gains. We study when sparse top-$k$ routing with hard capacity constraints helps in vision classification, evaluated under multi-seed protocols on four benchmarks (CIFAR-10/100, Tiny-ImageNet, ImageNet-1K). We observe a \emph{compute-leverage pattern}: positive accuracy gaps require a substantial fraction $\rho$ of total FLOPs to be routed; at ImageNet scale this is necessary but not sufficient, as multi-expert routing ($k \geq 2$) is additionally required. Two controlled experiments isolate these factors. A hidden-size sweep on CIFAR-10 yields both predicted sign reversals across standard and depthwise backbones, ruling out backbone family as the active variable. An ImageNet-1K ablation that varies only top-$k$ -- holding architecture, initialization, and $\rho$ fixed -- reverses the gap from positive to negative across all five seeds. A per-sample variant of Soft MoE that softmaxes over experts rather than the batch rescues CIFAR-100 above the dense baseline, identifying batch-axis dispatch as the dominant failure mode in per-sample CNN settings. Code and aggregate results: https://github.com/libophd/sparse-moe-vision-rho.
Authors: Guruprasad Raghavan, George Nychis, Rohan Narayana Murthy
Abstract: In enterprise operations, the context required for an AI agent task is scattered across systems of record, static information stores, and communication channels. What is stored is system state, a lossy representation of the work that actually happened [2, 52]. The prevailing approach [17, 31, 34, 36] retrieves by matching request content to what is stored; for narrow requests this works well. But synthesis quality depends on knowing what to surface and how to interpret it: knowledge specific to each organization, team, and individual [5, 57, 61], present in behavioral patterns, absent from any retrieval index. For complex agentic tasks it breaks down: True Lead Rate is low, False Lead Rate is high, and the model has no mechanism to improve. We present X-SYNTH, a framework for enterprise context synthesis grounded in human attention, the digitally observable interaction signatures of each worker, encoding not just what they did but the sequence in which they did it, along with implicit reward signals. Behavioral traces preceding positive outcomes are distinguishable from those that did not, without external labeling. X-SYNTH models each individual's behavioral baseline as a Digital Twin Signature (DTS) and selects among seven qualitatively distinct attention filters: Proportional, Inverse, Differential, Recurrent, Comparative, Sequential, and Collective, per individual and per query, to identify causally relevant activity signatures. A four-stage pipeline assembles ranked context grounded in behavioral patterns rather than query embeddings. On a sales lead identification task, a frontier model unaided achieves 9.5% True Lead Rate (TLR) with 90.5% False Lead Rate (FLR). Augmented with X-SYNTH, TLR rises to 61.9% (6.5x) while FLR falls to 18.8%. Enterprise context synthesis is not a retrieval problem. It is a relevance problem, and human attention is its most reliable ground truth.
Authors: Bumsu Park, Chanho Park, Youngmok Park, Namyoon Lee
Abstract: For a Gaussian source under mean-squared error (MSE), classical transform coding is rate--distortion (RD) optimal: the Karhunen--Loeve transform (KLT) diagonalizes the covariance, reverse waterfilling allocates the bits, and scalar quantization closes the loop. This elegant story breaks down for multimodal sources, where no single covariance can capture heterogeneous local geometries, and the RD function loses its closed form. We revisit this problem through Gaussian-mixture sources and develop a constructive RD theory for them. Our key finding is that the mixture structure incurs only a component label cost. Conditioned on the active mixture component, each branch is Gaussian; the challenge is allocating bits across heterogeneous branches. We prove that the genie-aided conditional RD function is governed by a single global reverse-waterfilling level shared across all components and eigenmodes. Building on this result, we introduce PrismQuant, which transmits the component label losslessly and encodes the residual using the component-matched KLT, followed by scalar quantization, achieving a rate of H(C)/n bits per source dimension of the converse, with a vanishing asymptotic gap. We further develop a practical implementation based on EM-driven Gaussian-mixture learning, component-adaptive KLTs, and entropy-constrained scalar quantization (ECSQ). Experiments on synthetic Gaussian mixtures show that PrismQuant closely approaches the theoretical RD bound, while experiments on real-world channel-state-information (CSI) data demonstrate competitive or superior performance compared with transformer-based learned codecs at more than one order of magnitude smaller model size.
Authors: Yufeng Du, Phillip Harris, Minyang Tian, Eliu A Huerta, Srikanth Ronanki, Subendhu Rongali, Aram Galstyan, Hao Peng
Abstract: We identify intrinsic limitations of Rotary Positional Embeddings (RoPE) in Transformer-based long-context language models. Our theoretical analysis abstracts away from the specific content of the context and depends only on its length. We prove that as context length increases, RoPE-based attention becomes unpredictable and loses two properties that are central to its effectiveness. First, it loses its locality bias: RoPE is no more likely to favor nearer positions than substantially farther ones. Second, it loses consistency in token relevance: a key vector that receives a higher attention score than an alternative at one position may receive a lower score at another. In both cases, the probability of failure approaches 0.5, no better than random guessing. We further prove that the attention score can remain unchanged when a key token is moved to a different position, or even replaced by a different token, indicating a failure to distinguish positions or tokens. Adjusting the RoPE base trades off distinguishing positions against distinguishing tokens but cannot preserve both at the same time. Increasing the RoPE base hyperparameter, a common practice in today's long-context models, helps distinguish different tokens, but inevitably sacrifices the ability to distinguish positions. Our empirical analysis shows that multi-head, multi-layer architectures are insufficient to overcome these limitations. Our findings suggest that fundamentally new mechanisms for encoding position and token order may be needed in future Transformer long-context language models.
Authors: Dmitry Kovalev
Abstract: Much of the existing theory on first-order non-smooth optimization is built on a restrictive assumption that the gradients of the objective function are uniformly bounded. We introduce a much more realistic class of generalized Lipschitz functions, where the gradient norms are bounded by an affine function of the optimality gap. We then ask a natural question: what algorithm achieves the best global convergence rates for solving convex stochastic generalized Lipschitz optimization problems? To address this, we develop a new convergence analysis for several existing algorithms and find that AdamW with clipped updates, theoretically outperforms other popular stochastic optimization methods, such as SGD and AdaGrad. Moreover, our analysis establishes the critical role of AdamW's exponentially weighted gradient accumulation, as opposed to simple averaging. We further show that clipped AdamW is universal and achieves improved rates under the popular generalized smoothness assumption, analyze the convergence of clipped AdamW with diagonal and matrix preconditioners, and extend our results to the quasar-convex setting.
Authors: Jinyuan Li, Langlin Huang, Chengsong Huang, Shaoyang Xu, Donghong Cai, Yuyi Yang, Wenxuan Zhang, Jiaxin Huang
Abstract: Process Reward Models (PRMs) provide step-level feedback for reasoning, but current PRMs usually output only a single reward score for each step. Downstream methods must therefore treat imperfect step-level reward predictions as reliable decision signals, with no indication of when these predictions should be trusted. We propose BetaPRM, a distributional PRM that predicts both a step-level success probability and the reliability of that prediction. Given step-success supervision from Monte Carlo continuations, BetaPRM learns a Beta belief that explains the observed number of successful continuations through a Beta-Binomial likelihood, rather than regressing to the finite-sample success ratio as a point target. This learned reliability signal indicates when a step reward should be trusted, enabling downstream applications to distinguish reliable rewards from uncertain ones. As one application, we introduce Adaptive Computation Allocation (ACA) for PRM-guided Best-of-N reasoning. ACA uses the learned reliability signal to stop when a high-reward solution is reliable and to spend additional computation on uncertain candidate prefixes. Experiments across four backbones and four reasoning benchmarks show that BetaPRM improves PRM-guided Best-of-N selection while preserving standard step-level error detection. Built on this signal, ACA improves the accuracy--token tradeoff over fixed-budget Best-of-16, reducing token usage by up to 33.57% while improving final-answer accuracy.
Authors: De Shuai Zhang
Abstract: Continuous diffusion and flow models are attractive for non-autoregressive text generation because they can update all positions in parallel. A major difficulty is the interface between continuous latent states and discrete tokens. This report studies a draft-conditioned latent refinement model built from a frozen BERT encoder, a parallel decoder, a denoising DraftPrior, a local FlowNet, and a learned diagonal MetricNet. Early Gaussian-start experiments showed that good latent-space metrics, such as scale matching or cosine similarity, do not guarantee good decoding. Generated latents can be close to real encoder latents but still produce high-entropy, biased, or repetitive token distributions. We therefore frame the task as controlled local refinement rather than full generation from noise. On ROCStories, using the first two sentences as prompt and the last three as target, full 768-dimensional BERT latents recover tokens much better than compressed 256-dimensional latents. With 768-dimensional latents, DraftPrior target-token probability is 0.938 for clean drafts, 0.613 for 3% token dropout, 0.483 for 5% dropout, and 0.272 for 10% dropout. Local flow refinement and fused decoder-aware readout give modest additional gains, while metric learning and OT-style alignment improve geometry but do not close the decoder gap. The main result is a diagnostic one: latent geometry alone is not enough. Continuous latent text generation should be evaluated by decoder recoverability, the quality of the start distribution, and whether refinement preserves decoder-readable structure.
Authors: Nikos Tsikouras, Constantine Caramanis, Christos Tzamos
Abstract: Estimating the number of distinct elements in a data stream is well understood when repeated elements are identical. In modern settings, however, observations are high-dimensional and noisy, so repeated instances of the same object are only approximately similar -- for example, different images of the same individual may vary significantly at the pixel level. Classical sketches such as HyperLogLog rely on consistent hash values for identical elements and break down in this regime. Recent work on robust distinct counting in general metric spaces achieves $\widetilde{\Theta}(\sqrt{n})$ memory, which is tight in the worst case. We show that substantially improved memory guarantees are possible under geometric structure common in learned representations. We introduce MaxSketch, a simple max-linear sketch built from random Gaussian projections, and prove that it succeeds in estimating the number of distinct latent objects. Concretely, we show that under this assumption $m = \widetilde{O} (\log n / \varepsilon^2)$ random projections (and hence $\widetilde{O} (\log n/\varepsilon^2)$ memory) suffice to recover the true distinct count within a $(1+\varepsilon)$ factor. Experiments on image streams confirm that MaxSketch accurately estimates distinct counts and generalizes beyond the training regime. Our results bridge classical streaming algorithms and modern representation learning, showing how geometric structure can fundamentally reduce the complexity of distinct counting.
Authors: Nurbek Tastan, Alex Iacob, Lorenzo Sani, Meghdad Kurmanji, Nicholas D. Lane, Samuel Horvath, Karthik Nandakumar
Abstract: Multi-agent systems can solve complex tasks through collaboration between multiple Large Language Model agents. Existing collaboration frameworks typically operate in either a parallel or a sequential mode. In the parallel mode, agents respond independently to queries followed by aggregation of responses. In contrast, sequential systems allow agents to communicate via a directed topology and refine one another step by step. However, both modes are inadequate for achieving the desired objectives of minimizing communication and latency while simultaneously maximizing the accuracy of the final response. In this work, we introduce a hybrid paradigm called Nexa, a trainable response-conditioned policy that bridges the gap between the two modes. Nexa begins with a parallel execution stage, embeds the resulting responses into a shared semantic space, and then predicts a sparse directed acyclic communication graph. If the graph is empty, the system remains purely parallel; if it is non-empty, the system performs one sequential message propagation. The policy is a lightweight transformer model, and the method avoids the need for external LLM judges or reward models, as well as hand-crafted test-time topology search. We formalize this hybrid execution problem, show that the resulting graph is acyclic by construction, and that the framework strictly subsumes pure parallel execution, and present a training procedure based on policy-gradient optimization. Results demonstrate that the response-conditioned policy learned by Nexa under one setting can be reused when the number of agents, the task, or the underlying agent changes, thus emphasizing the generalizability of the learned communication policy.
Authors: Fengfei Yu, Ruijia Niu, Dongxia Wu, Yian Ma, Rose Yu
Abstract: As large language models (LLMs) are deployed in consequential settings such as medical question answering and legal reasoning, the ability to estimate when their outputs are likely to be correct is essential for safe and reliable use, requiring well-calibrated uncertainty. Standard reinforcement learning with verifiable rewards (RLVR) trains models with a binary correctness reward that is indifferent to confidence, providing no penalty for confident but wrong predictions and thereby degrading calibration. Recent work addresses this by training models to produce verbalized confidence scores alongside answers and rewarding agreement with correctness. However, verbalized confidence is calibrated at the token level and thus exhibits inconsistency across textual variations with same semantic meaning. We propose \textbf{Calibration with Semantic Reward (CSR)}, a framework that calibrates language models directly in semantic space without a verbalized confidence interface. CSR combines the correctness reward with a novel semantic calibration reward that encourages exploitation among correct rollouts by promoting semantic agreement, and exploration among incorrect ones by discouraging spurious consistency. Experiments across three model families on HotpotQA (in-distribution) and TriviaQA, MSMARCO, and NQ-Open (out-of-distribution) show that CSR consistently achieves lower ECE and higher AUROC than verbalized-confidence baselines across nearly all settings, reducing ECE by up to $40\%$ and improving AUROC by up to $31\%$ over verbalized-confidence baselines, with calibration behavior generalizing robustly across all four evaluation settings.
Authors: Jiale Liu, Jungang Li, Jieming Yu, Xinglin Yu, Zihao Dongfang, Zongjian Ding, Kaifeng Ding, Yi Yang, Lidong Chen, Yang Zou, Shunwen Bai, Jiahuan Zhang, Haoran Huang, Shan Huang, Yudong Gao, Mingjun Cheng
Abstract: Modern 3D visual learning relies on observations sampled from metric 3D assets, yet existing scans, meshes, point clouds, simulations, and reconstructions do not directly provide a sparse, comparable, and geometry-consistent panoramic training interface. Dense trajectories duplicate nearby views, source-specific rendering policies yield heterogeneous annotations, and sparse heuristics may miss important regions or introduce depth-inconsistent observations. We study how to convert 3D assets into sparse panoramic RGB-D-pose data that preserves complete scene coverage with low redundancy and auditable provenance. We propose COVER (Coverage-Oriented Viewpoint curation with ERP Range-depth warping), a training-free ERP viewpoint curator that projects geometry observed from selected views into candidate ERP probes, scores incremental coverage, and penalizes depth conflicts. Under bounded proxy error, its greedy coverage proxy preserves the standard coverage-style approximation behavior up to an additive error term. Using COVER, we build CM-EVS (Coverage-curated Metric ERP View Set), a panoramic RGB-D-pose dataset with 36,373 curated ERP frames from 1,275 indoor scenes across Blender indoor, HM3D, and ScanNet++, complemented by outdoor panoramas from TartanGround and OB3D re-encoded into the same schema. Each frame provides full-sphere RGB, metric range depth, calibrated pose; COVER-produced indoor frames include per-step provenance logs. With a median of only 25 frames per indoor scene, CM-EVS covers all 13 unified room types while maintaining compact scene-level coverage. Experiments show that COVER improves the coverage-conflict trade-off, making CM-EVS a sparse, compact, and auditable RGB-D-pose resource for geometry-consistent panoramic 3D learning.
Authors: Vinayshekhar Bannihatti Kumar, Disha Makhija, Manoj Ghuhan Arivazhagan, Rashmi Gangadharaiah
Abstract: Large language models (LLMs) achieve high pass rates on code generation benchmarks, yet whether they can transfer this ability to languages absent from pretraining remains poorly understood. We introduce PyLang, a minimal imperative language absent from all pretraining corpora, and evaluate frontier models zero-shot and fine-tuned Qwen3 (4B, 8B, 32B) on 352 problems. We find that fine-tuning quickly teaches syntax but fails to transfer semantic competence: Python outperforms PyLang by up to 19% across all configurations, and no intervention (multi-task learning, preference tuning, code infilling, or latent-space objectives) closes the gap. An LLM judge reveals that frontier models select an identical algorithm to Python 80% of the time, yet cannot translate it into a working PyLang implementation., and CKA analysis confirms that fine-tuned models converge to nearly identical internal representations across languages (CKA > 0.97) while diverging at the output stage. We term this the implementation fidelity gap: models possess language-agnostic algorithmic understanding but cannot express it in an unfamiliar language. Our findings highlight the need for training methods that decouple reasoning from language-specific realization.
Authors: Senmao Tian, Xiang Wei, Shunli Zhang
Abstract: Efficient transfer learning of vision-language models (VLMs) commonly suffers from a Base-New Trade-off (BNT): improving performance on unseen (new) classes often degrades accuracy on known (base) classes. Addressing how to boost recognition of unseen classes without sacrificing known-class performance remains a central challenge. Existing work often simplistically attributes the BNT to overfitting on known classes. We observe an interesting phenomenon: VLMs frequently exhibit asymmetric confusion on certain downstream data, i.e., samples of class A are systematically mispredicted as class B, while the reverse confusion (B to A) rarely occurs. For known classes, this kind of bias can be mitigated by tuning using a cross-entropy loss, but for unseen classes, such pretraining-induced bias persists and harms generalization. Motivated by this, we propose NeRP, a plug-and-play prompting correction strategy that improves discrimination on unseen classes without modifying model parameters. NeRP leverages neutral text prompts and reference images to measure class-wise prior preferences along the pre-trained inter-class geometry, and combines them with the sample likelihood to obtain the model's surrogate score. If, for a given sample, the prior strongly favors the current prediction while the observed evidence is clearly insufficient, we perform a local flip between easily confusable class pairs, thereby correcting prior-dominated mispredictions. Extensive experiments across multiple backbones and 15 few-shot and cross-domain benchmarks show that NeRP substantially improves accuracy on unseen classes while preserving known-class prediction performance.
Authors: Yilong Wan, Yuqiang Li, Xianyi Wu
Abstract: We study risk-aware offline policy learning, aiming to learn a decision rule from logged data that is optimal under general risk criteria. This problem is crucial in high-stakes domains where online interaction is infeasible and adverse outcomes must be carefully controlled. However, existing literature on offline contextual bandits either centers on expected-reward criteria or restricts risk considerations to policy evaluation instead of optimization. In this work, we propose a unified distributional framework for optimizing Lipschitz-continuous risk functionals, a broad class of risk measures encompassing mean-variance, entropic risk, and conditional value-at-risk, among others. By developing novel empirical concentration inequalities for importance sampling-based distributional estimators, our analysis derives data-dependent suboptimality bounds with an $\tilde{\mathcal{O}}(1/\sqrt{n})$ rate, without relying on restrictive uniform overlap assumptions. This rate is minimax optimal and matches that of risk-neutral offline policy optimization, indicating that optimizing general Lipschitz risk criteria incurs no additional statistical cost relative to the expected-reward.
Authors: Sauradeep Majumdar, Miguel Steiner, Johannes C. B. Dietschreit, Swagata Roy, Daniel Willimetz, Luka\v{s} Grajciar, Rafael G\'omez-Bombarelli
Abstract: Free energy profiles serve as a fundamental bridge between microscopic atomic fluctuations and macroscopic thermodynamic observables. Estimating the free energy profile along a reaction coordinate, referred to as the potential of mean force (PMF), with density functional theory (DFT) accuracy is computationally expensive. Universal machine learning interatomic potentials (MLIPs) drastically reduce this cost, but their accuracy is strongly determined by their training data and hence can be uncertain for a given system. In this work, we present a systematic and scalable framework for reweighting PMFs, initially sampled with a single 'source' MLIP, across a representative suite of target MLIPs. Because traditional direct exponential reweighting fails for large system sizes due to low phase-space overlap between potentials, we deploy robust analytical corrections. Applying this to a complex 601-atom system of Li$^+$ transport in a nanoconfined electrolyte, we demonstrate that a mean energy-gap approximation effectively bypasses statistical collapse, producing a highly stable PMF matching the target PMF. Using this approach, we recover high-fidelity target thermodynamics across multiple DFT reference levels (PBE+D3, PBE-sol, r$^2$SCAN,r$^2$SCAN-D4) at a fraction of the computational cost of full simulations. Furthermore, thermodynamic analysis reveals that the studied MLIPs partition into two distinct clusters driven by their training data. Our reweighting framework successfully recovers target thermodynamic properties--specifically, reaction and activation free energies--even when the phase-space overlap between potentials is critically low. Ultimately, this approach establishes a vital diagnostic protocol to achieve affordable cross-model consensus on materials chemistry properties without redundant, resource-intensive simulations.
Authors: Mitsutaka Nakada (DeepForest Technologies Co., Ltd), Takahiko Ikebata (DeepForest Technologies Co., Ltd), Kengo Ikebata (DeepForest Technologies Co., Ltd), Yuji Mizuno (YM Lab), Yusuke Onoda (Graduate School of Agriculture, Kyoto University), Ryuichi Takeshige (Graduate School of Agriculture, Kyoto University, Graduate School of Science, Osaka Metropolitan University), Kyaw Kyaw Htoo (Graduate School of Agriculture, Kyoto University), Kanehiro Kitayama (Graduate School of Agriculture, Kyoto University, Faculty of Tropical Forestry, Universiti Malaysia Sabah), Robert Ong (Forest Research Centre), Masanori Onishi (DeepForest Technologies Co., Ltd, Graduate School of Agriculture, Kyoto University)
Abstract: We present a highly detailed instance segmentation model for delineating individual tree crowns in natural broadleaf forests using aerial imagery acquired by unmanned aerial vehicles (UAVs). Tree crown delineation in broadleaf forests is more challenging than in other forest types due to diversity of crown shapes and the lack of clearly defined treetops. To address this issue, we developed a deep-learning-based crown segmentation model trained on high-quality annotated crown outlines. We manually delineated 18,507 crown polygons from orthomosaic images collected across seven forests in Japan by skilled annotators, and developed a model based on Mask2Former with multiple backbone architectures. The best model achieved high segmentation performance in structurally complex broadleaf forests using only RGB imagery. This performance was maintained when applied to geographically distinct forests within Japan, as well as to biologically distinct tropical rainforests in Borneo. These results demonstrate that using a large number of high-quality annotated datasets is critical for achieving detailed and generalizable crown segmentation across diverse forest ecosystems. The developed model has been integrated into DF Scanner Pro, a software that supports practical forest monitoring using UAVs, and this implementation is expected to enable a wide range of users to analyze tree-level information in broadleaf forest from UAVs.
Authors: Liqi Zhou, Jiafu Li
Abstract: Online patient inquiries are often informal, incomplete, and written before professional assessment, yet they must still be routed to an appropriate level of clinical follow-up. We study this as a four-class actionable triage task -- self-care, schedule-visit, urgent-clinician-review, or emergency-referral, and ask whether prompted large language models (LLMs) can support such routing under low-resource labeling conditions. Using the public HealthCareMagic-100K corpus, we construct a 300-example human calibrated gold evaluation set, a 700-example auto-labeled silver training set, and a 40-example few-shot pool. We compare Term Frequency-Inverse Document Frequency (TF-IDF) and Bidirectional Encoder Representations from Transformers for Biomedical Text Mining (BioBERT) baselines train on silver labels against six prompted LLMs under 0-shot, 4-shot, and 12-shot conditions respectively. Accordingly, we evaluate with macro-$F_1$ alongside safety-aware metrics, including emergency-recall, under-triage rate, and severe under-triage rate. The strongest LLM (Claude Haiku 4.5, 12-shot) reaches macro-$F_1$ 0.475, exceeding the best supervised baseline (BioBERT, 0.378) on point estimate, with overlapping confidence intervals. Few-shot prompting and two-model agreement help in label-dependent ways: self-care agreement is reliable, urgent-clinician-review is not. We conclude that LLMs can support triage prioritization and selective human review, but not autonomous deployment.
Authors: Ekkehard Schnoor, Jawher Said, Malik Tiomoko, Wojciech Samek, Alexander Jung
Abstract: Concept Activation Vectors (CAVs) are a fundamental tool for concept-based explainability in deep learning, yet their practical utility is limited by statistical instability. We analyze the stochastic nature of CAVs and the Testing with CAVs (TCAV) method, deriving the distributions of major CAV classes including PatternCAV, FastCAV, and ridge regression-based CAVs. We then identify a fundamental flaw in the standard TCAV score: its reliance on a discontinuous indicator function induces non-decaying variance in critical regimes. To address this, we introduce $\alpha$-TCAV, a generalized framework that replaces the indicator with a parameterized smooth function, yielding a unified probabilistic formulation that subsumes both TCAV and Multi-TCAV. We characterize the induced distributions of sensitivity scores and different TCAV variants, showing that established state-of-the-art choices lack theoretical justification. We provide principled guidance on tuning the parameter in $\alpha$-TCAV -- either to imitate Multi-TCAV at substantially lower computational cost, or to obtain a calibrated Bayes-optimal probabilistic measure of a concept's influence. Finally, our analysis yields practical recommendations that challenge established routines: most notably, allocating the full sampling budget to a single CAV rather than splitting it across several.
Authors: Yuchen Li, Zhen Zhao, Yi Liu, Luping Zhou
Abstract: Medical referring image segmentation (MRIS) requires pixel-level masks aligned with textual descriptions of anatomical locations, making annotation costly in low-label regimes. Semi-supervised learning (SSL) can mitigate this burden by leveraging unlabeled data, but its success hinges on maintaining reliable image-text alignment under perturbations. Most existing SSL-based referred segmentation methods use either independent or simplistic multi-modal perturbations (e.g., left-right flips), without fully addressing cross-modal alignment under strong augmentation, while CutMix, highly effective in single-modal SSL, remains underexplored in multi-modal settings due to its tendency to disrupt image-text coherence. We propose Semi-MedRef, a teacher-student SSL framework designed to explicitly maintain consistency between medical images and positional language through three alignment-preserving components: T-PatchMix, a cross-modal CutMix-style augmentation that synchronizes patch mixing with referring expressions via position-constrained and probability-driven rules; PosAug, a position-aware text augmentation that masks or fuzzes anatomical phrases; and ITCL, a position-guided image-text contrastive learning module, which leverages positional pseudo-labels to construct soft anatomical positives and strengthen medically grounded cross-modal alignment. Experiments on QaTa-COV19 and MosMedData+ demonstrate that Semi-MedRef consistently outperforms both fully supervised and semi-supervised baselines across all label regimes.
Authors: Himanshu Singh Baghel
Abstract: Proactive autoscaling for containerized workloads depends on knowing the provisioning delay, i.e., the time between a scaling decision and the moment new capacity is ready to serve traffic. In practice, this cold-start duration can vary substantially across environments and even across consecutive scale-out events. We present ADAPT (Adaptive Duration Approximation for Predictive Timing), an online EWMA estimator that tracks coldstart duration at runtime. ADAPT feeds a dynamic planning horizon, FH-OPT, into a Model Predictive Controller (MPC) that optimizes replica counts over a rolling window. Together, these components form a closed-loop proactive autoscaling design that adapts its lookahead based on measured provisioning delay. Evaluated across three policies (MPC+LSTM, MPC+Prophet, HPA) and six workload archetypes with five random seeds, MPC+LSTM achieves below 5% SLA violation on all workloads, compared with 7-19% for reactive HPA and up to 28.7% for MPC+Prophet on bimodal traffic.
Authors: Sujie Hu, Chubin Chen, Jiashu Zhu, Jiahong Wu, Xiangxiang Chu, Xiu Li
Abstract: Recent advancements have established Reinforcement Learning (RL) as a pivotal paradigm for aligning generative models with human intent. However, group-based optimization frameworks (e.g., GRPO) face a critical limitation: the rapid decay of intra-group variance. As the distinctiveness among samples within a group diminishes, the variance approaches zero. This eliminates the very learning signal required for optimization, rendering the process unstable and forcing the policy into premature stagnation or reward hacking. Existing strategies, such as varying the initial noise or increasing group sizes, often fail to address this fundamental issue, resulting in training instability or diminishing returns. To overcome these challenges, we propose $\textbf{Embedding-perturbed Exploration Preference Optimization (}E^2\textbf{PO)}$, a novel framework that sustains optimization through embedding-level perturbation. Our method introduces structured, embedding-level perturbations within sample groups, guaranteeing a robust variance that preserves the discriminative signal throughout the training process. Extensive experiments demonstrate that our approach significantly outperforms state-of-the-art baselines, achieving a more faithful alignment with human preference.
Authors: Ofir Gilad, Aleksander Plocharski, Przemyslaw Musialski, Andrei Sharf
Abstract: Stipple patterns, point sets whose local density tracks a target image, are traditionally produced by per-density iterative optimizers, which are slow, non-differentiable, and must be re-run from scratch for each new target. Learned alternatives have so far addressed only unconditional point generation; capacity-constrained, image-conditioned stippling has remained out of reach. We present the first diffusion-based sampler that simultaneously satisfies a learned local point-distribution prior and a continuous, image-defined capacity constraint at inference. The method is a ControlNet branch built on top of an optimal-transport-grid point-set diffusion baseline, conditioned on the target density map and a high-resolution image. Two design choices make the combination tractable: training and inference are restricted to the late-stage denoising regime, initialized from a density-weighted rejection sample, and the standard zero-convolution injection is replaced with a sigmoid-gated 1x1 projection that preserves the base model's blue-noise structure under hard density signals. A single trained checkpoint accepts arbitrary target densities at inference, generalizes to point budgets that were not seen during training, and produces stipples in time nearly independent of the output point count. On the Icons-50 benchmark, our learned sampler reaches parity with per-density-optimized baselines on every reported metric while remaining differentiable end-to-end.
Authors: J\'ulia Orteu Aubach, Fabio Banchelli, Marc Clasc\`a Ram\'irez, Marta Garcia-Gasulla
Abstract: This work extends a framework for predicting the performance of High-Performance Computing (HPC) workloads using Machine Learning (ML). A common limitation in performance modeling is the restricted number of hardware counters that can be collected simultaneously. To address this, we propose a heuristic-based methodology to merge execution traces from multiple runs, each instrumented with a different set of hardware counters. Our approach matches computation bursts across executions by analyzing MPI structure, timing, and communication patterns. This process enables the construction of a unified dataset that includes a wider set of hardware features without relying on multiplexing. The output is a new synthetic trace with all merged counters, which can be used both for HPC performance prediction and for conventional performance analysis. The methodology has been validated on MareNostrum5 machine with a range of kernels and real applications. Results show that the merged counters maintain acceptable accuracy depending on the application, and can be directly used to train ML models on a richer feature space without prior counter selection.
Authors: Sinho Chewi, Andre Wibisono
Abstract: We study the query complexity of obtaining a relative Fisher information guarantee for sampling from a log-smooth non-log-concave distribution; this is a sampling analog of finding an approximate stationary point in optimization. Our algorithm is based on the proximal sampler, which is an implicit discretization of the Langevin diffusion, and requires an implementation of the backward step known as the restricted Gaussian oracle (RGO). We show that by leveraging the recent results for log-concave sampling with high-accuracy guarantees in R\'enyi divergence, we can obtain an approximate RGO implementation that -- when used with the proximal sampler -- yields a complexity guarantee in relative Fisher information that inherits the same dimension dependence as log-concave sampling, and improves upon prior work for non-log-concave sampling. We also show a converse reduction that any improvement in the dimension dependence in relative Fisher information for non-log-concave sampling will yield an improved dimension dependence for high-accuracy log-concave sampling.
Authors: Syed Waqas Ali, Ibrar Ali Shah, Farzana Zahid, Daniyal Munir, Hans D. Schotten
Abstract: Security in cloud computing has become a major concern due to several factors such as layered cloud architectures, dynamic environments, and exposure to unseen or zero-day attacks. Moreover, intrusion detection systems (IDS) typically operate at specific layers and rely heavily on machine learning models, which often perform well in experimental settings but fail to sustain performance in real cloud deployments. In this work, we implement a confidence-aware multilevel intrusion detection system using reinforcement learning tailored for cloud environments. The system secures three distinct layers: network, host, and hypervisor. Machine learning models at each layer detect known attack patterns, while prediction confidence distinguishes reliable decisions from uncertain outcomes. Within the multi-gate flow, low-confidence events pass through a learned-threshold confidence gate (Gate-1), followed by a Chroma memory-matching gate (Gate-2), with unresolved events escalated to a large language model (LLM) for semantic analysis and explanation. Final attack promotion at Gate-3 uses calibrated LLM confidence or weighted-fusion fallback, while uncertain events are retained in a review bucket to avoid forced classification. Generated explanations and confirmed knowledge are stored in ChromaDB to support future analysis and retraining. The approach is first evaluated using static thresholds, establishing a baseline for comparison. Results show that the proposed system learns adaptive thresholds and reduces LLM escalation by 58.78%, lowering cost while maintaining strong performance (88.68% accuracy, 85.29% precision, 84.72% recall, 85.00% F1). The network and hypervisor layers achieve 98.02% and 97.08% accuracy, demonstrating a balanced and efficient detection system.
Authors: Sebastian Springer, Alessandro Laio
Abstract: We developed a tool for detecting domain shifts, namely subtle differences in the probability distributions of datasets. We identify these shifts using an algorithm designed to detect localised density anomalies in high-dimensional feature spaces. If an anomaly is present, we then identify the feature subspace in which the anomaly is most pronounced. This allows us to trace the domain shift to a small set of features, making the shift interpretable. Moreover, we provide a protocol for compensating domain shifts by extracting, from two unlabelled datasets, subsets of samples with no detectable residual distributional difference. We validate the framework on controlled 20-dimensional benchmarks with known ground truth, recovering both broad and localized shifts together with their supporting feature subspaces. We then apply it to healthy electrocardiogram (ECG) recordings represented by 782 features. In age- and sex-matched cohort comparisons differing in measurement-device composition, the method detects device-induced shifts, extracts representative subsets enriched in the imbalanced device components, and identifies ECG features associated with the acquisition contrast. These results suggest that density-shift detection and subspace attribution provide a practical framework for uncovering hidden cohort biases before downstream modelling.
Authors: Marco Rando, Robin A. Heinonen, Yujia Qi, Agnese Seminara
Abstract: Finding an odor source in a turbulent flow requires effectively leveraging the history of olfactory observations into a robust navigation strategy. In this work, we use tabular Q-learning to train an olfactory search agent with a minimal memory of past observations: only a running clock since the last whiff. This agent learns an interpretable strategy to recover the plume which combines well-known behaviors observed in insects: surging, casting, and a return downwind. While achieving good performance on data from direct numerical simulations of turbulence, the agent is limited by an inability to adapt its strategy to the local intermittency level; we show that providing more flexibility improves robustness.
Authors: Qian He, Zhenshuo Yang, Wenqi Liang, Chunhui Hao, Nicu Sebe, Jiandong Tian
Abstract: Visuomotor policies aim to learn complex manipulation tasks from expert demonstrations. However, generating smooth and coherent trajectories remains challenging, as it requires balancing proximal precision with distal foresight. Existing approaches typically focus on optimizing intra-chunk action distributions, often neglecting the inter-chunk coherence. Consequently, inter-chunk discontinuities significantly impede the learning of coherent long-horizon actions. To overcome this limitation and achieve a synergetic balance between precision and foresight, we propose FocalPolicy, a foresight-aware visuomotor policy that combines Frequency-Optimized Chunking with Locally Anchored flow matching. We introduce a foresight composite objective that supervises time-domain alignment within the proximal actions while regularizing frequency-domain structure over multiple future action chunks to improve cross-chunk coherence. To efficiently learn complex action distributions, we design locally anchored campling to enhance target signal propagation efficiency during consistency flow matching training. Extensive experiments demonstrate that FocalPolicy outperforms existing approaches and confirm the generalizability of our modules to other baselines. Project website: https://focalpolicy.github.io/
Authors: Logan Mondal Bhamidipaty, Esmeralda S. Whitammer, David Abel, Mykel J. Kochenderfer, Subramanian Ramamoorthy
Abstract: We propose a novel definition of model exploitation in reinforcement learning. Informally, a world model is exploitable if it implies that one policy should be strictly preferred over another while the environment's true transition model implies the reverse. We analogize our definition with a prior characterization of reward hacking but show that the associated proof of inevitability does not transfer to exploitation. To overcome this obstruction, we develop a general theory of reward hacking and model exploitation that proves that exploitation is essentially unavoidable on large policy sets and yields the corresponding claim for hacking as a special case. Unfortunately, we also find that the conditions that guarantee unhackability in finite policy sets have no counterpart that precludes exploitation. Consequently, we introduce a relaxed notion of exploitation and derive a safe horizon within which it can be avoided. Taken together, our results establish a formal bridge between reward hacking and model exploitation and elucidate the limits of safe planning in world models.
Authors: Sofiya Burova, Francisco Calvillo, G\'abor Lugosi, Piotr Zwiernik
Abstract: We consider the problem of testing properties of graphs underlying high-dimensional graphical models. We adopt the model of covariance queries introduced by Lugosi, Truszkowski, Velona, and Zwiernik (2021). We study the case when the underlying graph is a tree. The main results of the paper show that, while reconstructing the entire tree may be costly, certain global structural properties can be tested efficiently. In particular, we design randomized tests for global structural properties that use a sub-quadratic number of queries. We develop testing procedures for several fundamental properties, including the number of leaves, the maximum degree, the typical distance, and the diameter of the tree. For each property, we obtain explicit query complexity bounds that depend on the target threshold and tolerance parameters.
Authors: Vishnu Saj, Sushil Vemuri, Dileep Kalathil, Moble Benedict
Abstract: Deep Reinforcement Learning (DRL) for quadrotor flight control typically relies on Domain Randomization (DR) for sim-to-real transfer, resulting in overly conservative policies that struggle with dynamic disturbances. To overcome this, we propose a novel adaptive control architecture that actively perceives and reacts to instantaneous perturbations. First, we train an optimal outer-loop policy, then replace its reliance on ground-truth disturbance data with a Residual Dynamics Predictor (RDP). The RDP estimates the external forces and moments acting on the aircraft in flight online using only the history of states and control actions. For seamless hardware transfer, we introduce a data-efficient linear calibration bridge and an online thrust correction mechanism that align the simulated latent space with reality using mere seconds of flight data. Real-world validations on a Crazyflie micro-quadrotor demonstrate that our adaptive controller significantly outperforms baselines, maintaining precise trajectory tracking under severe uncertainties including mass variations, asymmetric payloads, and dynamic slung loads
Authors: Nils Feldhus, Tanja Baeumel, Elena Golimblevskaia, Qianli Wang, Van Bach Nguyen, Aaron Louis Eidt, 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: Timo Freiesleben, Kristof Meding, Gunnar K\"onig
Abstract: Machine learning systems increasingly make life-changing decisions about individuals, such as loan approvals, hiring, and cheating detection, raising a pressing question: how can individuals respond to negative decisions made by these opaque systems? While explainable artificial intelligence (XAI) has largely focused on algorithmic recourse -- helping individuals change their features to obtain a desired outcome -- the parallel problem of algorithmic contestability -- helping individuals review and correct erroneous algorithmic decisions -- has received far less attention, despite its central ethical and legal importance. We trace this neglect to the absence of clear formal definitions and a systematic operationalization of contestability as an algorithmic problem. To address it, we propose an operational definition of contestability as a natural complement to recourse: contestability starts from the presumption that a decision may be incorrect and focuses on identifying evidence to challenge and potentially overturn it, whereas recourse assumes the decision is valid and instead provides pathways for changing it. We show that standard XAI explanations, such as counterfactuals, LIME, or Anchors, even when combined with human intuitions about decision continuity or monotonicity, reveal only errors in the neighborhood of the individual, but provide insufficient grounds for overturning the decision at hand. Going thus beyond traditional XAI, we identify three types of evidence warranting reversal according to the decision maker's own ethical standards: predictive multiplicity, incorrect feature values, and neglected overruling evidence. We argue that these render decisions normatively indefensible and thus successfully contestable. Finally, we analyze how existing EU legislation connects to our framework and argue that individuals already hold some legal rights to these forms of evidence.
Authors: Zijie Dai, Shiyuan Deng, Sheng Guan, Yizhou Tian, Xin Yao, Xiao Yan, James Cheng
Abstract: Memory systems often organize user-agent interactions as retrievable external memory and are crucial for long-running agents by overcoming the limited context windows of LLMs. However, existing memory systems invoke LLMs to process every incoming interaction for memory extraction, and such an eager memory consolidation scheme leads to substantial token consumption. To tackle this problem, we propose RecMem by rethinking when memory consolidation should be conducted. RecMem stores incoming interactions in a subconscious memory layer and encode them using lightweight embedding models for retrieval. LLMs are only invoked to extract episodic and semantic memory when sustained recurrence are observed for semantically similar interactions. Such recurrence-based consolidation works because these interactions correspond to a semantic cluster with rich information and thus are worth extraction and summarization. To improve accuracy, RecMem also incorporates a semantic refinement mechanism that recovers the fine-grained facts omitted by memory extraction. Experiments show that RecMem reduces the memory construction token cost of three SOTA memory systems by up to 87% while exceeding their accuracy.
Authors: Noah Wade, Kirubel Teferra
Abstract: Neural network surrogate models have emerged as a promising approach to model solution fields for a wide variety of boundary value problems encountered in physical modeling. Stochastic problems represent an area of particularly high interest because of the potential to significantly reduce the repeated evaluation of expensive forward models via traditional numerical solvers when conducting parametric analysis. However, many studies found in the literature primarily focus on the ability of neural network surrogate models to represent deterministic samples or mean field solutions and largely overlook surrogate model performance at the tails of the distribution. The present study examines in detail the ability of neural network surrogate models to capture the full distribution of solution fields over the entire probability space, while emphasis is placed at the tails of the distribution. Serving as a canonical problem is the heat conduction equation with a highly stochastic source term, inducing extremely large variation in the thermal solution field. Comparisons are made between a classic feed-forward fully connected network and a Deep Operator Network architecture, using both data-driven and physics-informed loss functions. Results show that the worst-case prediction errors are an order of magnitude larger than the mean field error, highlighting the importance of the outlier samples. The large errors associated with extreme samples result from the networks having to extrapolate beyond the bounds of the training data. A method for identifying these samples is presented along with a discussion of potential approaches to account of their errors. Among the models considered, the fully connected neural network trained using a weak form residual loss performs best in handling these extrapolated inputs, achieving the highest prediction accuracy for the numerically produced datasets.
Authors: Eric Oliveira Gomes, Damien Rontani
Abstract: We propose a scalable neuromorphic architecture based on spiking dynamics emerging from the autonomous time-continuous evolution of clockless (asynchronous) digital circuits. Implemented on commercially available field-programmable gate arrays (FPGAs), our system implements networks of interacting Boolean spiking neurons with configurable excitatory and inhibitory synaptic weights. A complete processing pipeline enables efficient handling of spike-encoded data for solving machine-learning tasks. We demonstrate competitive performance for an audio classification task with spike-based encoding and high-speed processing. Power consumption is significantly lower than traditional digital implementations; this makes our approach an efficient alternative that bridges the gap to dedicated analog neuromorphic systems without the need for specialized hardware design. More generally, our approach establishes clockless digital hardware as a viable platform for neuromorphic computing. It paves the way for reconfigurable chips to be turned into energy-efficient quasi-analog neuromorphic processors.
Authors: Andr\'e G. Pereira, Augusto B. Corr\^ea, Jendrik Seipp
Abstract: LLMs have shown impressive success in program synthesis, discovering programs that surpass prior solutions. However, these approaches rely on simple numeric scores to signal program quality, such as the value of the solution or the number of passed tests. Because a score offers no guidance on why a program failed, the system must generate and evaluate many candidates hoping some succeed, increasing LLM inference and evaluation costs. We study a different approach: property-guided LLM program synthesis. Instead of scoring programs after evaluation, we check whether a candidate satisfies a formally defined property. When the property is violated, we stop the evaluation early and provide the LLM with a concrete counterexample showing exactly how the program failed. This feedback drastically reduces both the number of program generations and the evaluation cost, and can guide the LLM to generate stronger programs. We evaluate this approach on PDDL planning domains, asking the LLM to synthesize direct heuristic functions: every state reachable by strictly improving transitions has a strictly improving successor. A heuristic with this property leads hill-climbing algorithm directly to a goal state. A counterexample-guided repair loop generates one candidate program, checks the property over a training set, and returns the first case that violates the property. We evaluate our approach on ten planning domains with an out-of-distribution test set. The synthesized heuristics are effectively direct on virtually all test tasks, and compared to the best prior generation method our approach generates seven times fewer programs per domain on average, solves more tasks without using search, and requires several orders of magnitude less computation to evaluate candidates. Whenever a problem admits a verifiable property, property-guided LLM synthesis can reduce cost and improve program quality.
Authors: Paulo C. Marques F., Helton Graziadei
Abstract: We develop a skew-adaptive extension of split conformal prediction for regression. The method starts from an asymmetric interval family centered at a point prediction and uses the gauge approach to deduce the conformity score induced by this family. The inverse hyperbolic sine transform of signed scaled residuals provides the training target for an additional predictive model, whose role is to learn how predictive uncertainty should tilt across the feature space. The resulting procedure preserves the finite-sample marginal validity of split conformal prediction under exchangeability, while producing intervals that adapt to both local scale and local skewness. We also develop a calibration-sample-based estimator for comparing the expected relative future width of the skew-adaptive and classical scaled-score intervals. Experiments on a variety of datasets indicate gains in prediction interval efficiency over the scaled-score construction and conformalized quantile regression, and show that the proposed estimator closely matches the corresponding average width ratio observed on the test sample.
Authors: Dan Assouline, Erwan Koch, Federico Amato, Filippo Quarenghi, Daniele Nerini, Thibaut Loiseau, Kyle van de Langemheen, Tom Beucler
Abstract: Skillful medium-range precipitation forecasting at kilometer scale remains challenging over complex terrain because precipitation arises from multiscale nonlinear processes that global models cannot explicitly resolve at affordable cost. Global AI weather models can produce skillful medium-range forecasts, but their native 0.25 degrees resolution limits direct use for local hazard applications. Statistical downscaling can help bridge this gap, yet existing approaches often struggle with state-dependent, and especially lead-time-dependent, biases in global forecasts. We introduce SwAIther-Precip, a lead-time-aware downscaling framework that converts coarse-resolution AIFS forecasts into probabilistic km-scale precipitation fields over Switzerland. First, a U-Net conditioned on lead time via feature-wise linear modulation deterministically corrects systematic biases at coarse resolution. This targeted correction enables a cheaper super-resolution stage conditioned only on corrected precipitation, allowing direct training on observations rather than on the full atmospheric state. A diffusion-based model then generates fine-scale spatial variability independently of lead time. Using AIFS forecasts and CombiPrecip radar-gauge observations, SwAIther-Precip reduces CRPS by 48% relative to raw AIFS. The generated fields reproduce observed spatial variability with spectral fidelity above 0.85 at large scales and 0.88 at small scales, corresponding to an effective resolution of approximately 4 km on a 1 km grid for lead times up to 5 days. Training across lead times further improves long-range performance, yielding a 13% CRPS reduction at 6 days relative to lead-time-specific models. These results show that explicitly correcting lead-time-dependent biases before generative super-resolution is key to efficient km-scale probabilistic downscaling of global AI precipitation forecasts.
Authors: Yishun Lu, Junhao Zhang, Zeyu Yang, Wes Armour
Abstract: Second-order methods offer an attractive path toward more sample-efficient LLM training, but their practical use is often blocked by the systems cost of maintaining and updating large matrix-based optimizer states. We introduce \textbf{Asteria}, a runtime system designed to remove this bottleneck by separating second-order optimization logic from the critical GPU training path. Rather than keeping all preconditioner state on the accelerator, Asteria dynamically distributes optimizer state across GPU memory, CPU memory, and optional NVMe storage according to architectural constraints and runtime pressure. It further uses training hooks to prepare shadow states in advance, allowing expensive inverse-root computations to proceed asynchronously on the host while GPU computation continues. For distributed training, Asteria employs a bounded-staleness protocol that limits synchronization frequency while preserving optimizer effectiveness through topology-aware coordination. We evaluate Asteria on both memory-constrained and distributed training settings. On a DGX Spark platform with a single GB10 GPU and 128GB unified memory, Asteria supports second-order training for a 1B-parameter language model. On multi-node GH200 systems, it lowers visible optimizer overhead, reduces recurring latency spikes, accelerates convergence in wall-clock time, and maintains the optimization advantages of SOAP and KL-Shampoo in a 7B-parameter language model. Our results suggest that second-order LLM training can be made practical not by simplifying the optimizer alone, but by rethinking how optimizer state, background computation, and distributed synchronization are managed at the runtime level.
Authors: Parand A. Alamdari, Toryn Q. Klassen, Sheila A. McIlraith
Abstract: We examine one particular dimension of AI governance: how to monitor and audit AI-enabled products and services throughout the AI development lifecycle, from pre-deployment testing to post-deployment auditing. Combining principles from formal methods with SoTA machine learning, we propose techniques that enable AI-enabled product and service developers, as well as third party AI developers and evaluators, to perform offline auditing and online (runtime) monitoring of product-specific (temporally extended) behavioral constraints such as safety constraints, norms, rules and regulations with respect to black-box advanced AI systems, notably LLMs. We further provide practical techniques for predictive monitoring, such as sampling-based methods, and we introduce intervening monitors that act at runtime to preempt and potentially mitigate predicted violations. Experimental results show that by exploiting the formal syntax and semantics of Linear Temporal Logic (LTL), our proposed auditing and monitoring techniques are superior to LLM baseline methods in detecting violations of temporally extended behavioral constraints; with our approach, even small-model labelers match or exceed frontier LLM judges. Our predictive and intervening monitors significantly reduce the violation rates of LLM-based agents while largely preserving task performance. We further show through controlled experiments that LLMs' temporal reasoning shows a pronounced degradation in accuracy with increasing event distance, number of constraints, and number of propositions.
Authors: Igor Bogdanov, Chung-Horng Lung, Thomas Kunz, Jie Gao, Adrian Taylor, Marzia Zaman
Abstract: Deploying compound LLM agents in adversarial, partially observable sequential environments requires navigating several design dimensions: (1) what the agent sees, (2) how it reasons, and (3) how tasks are decomposed across components. Yet practitioners lack guidance on which design choices improve performance versus merely increase inference costs. We present a controlled study of compound LLM agent design in CybORG CAGE-2, a cyber defense environment modeled as a Partially Observable Markov Decision Process (POMDP). Reward is non-positive, so all configurations operate in a failure-mitigation mode. Our evaluation spans five model families, six models, and twelve configurations (3,475 episodes) with token-level cost accounting. We vary context representation (raw observations vs. a deterministic state-tracking layer with compressed history), deliberation (self-questioning, self-critique, and self-improvement tools, with optional chain-of-thought prompting), and hierarchical decomposition (monolithic ReAct vs. delegation to specialized sub-agents). We find that: (1) Programmatic state abstraction delivers the largest returns per token spent (RPTS), improving mean return by up to 76% over raw observations. (2) Distributing deliberation tools across a hierarchy degrades performance relative to hierarchy alone for all five model families, reaching up to 3.4$\times$ worse mean return while using 1.8-2.7$\times$ more tokens. We call this destructive pattern a deliberation cascade. (3) Hierarchical decomposition without deliberation achieves the best absolute performance for most models, and context engineering is generally more cost-effective than deliberation. These findings suggest a design principle for structured adversarial POMDPs: invest in programmatic infrastructure and clean task decomposition rather than deeper per-agent reasoning, as these strategies can interfere when combined.
Authors: Chaeyeon Lee, Sehwan Kim, Hyungrok Do
Abstract: Flexible continuous-time survival modeling is critical for capturing complex time-varying hazard dynamics in high-dimensional data; however, training such models remains challenging due to the intractable integral required for likelihood estimation. We introduce QSurv, a scalable deep learning framework that enables nonparametric continuous-time modeling without relying on time discretization or restrictive distributional assumptions. We propose a training objective based on Gauss-Legendre numerical quadrature, which approximates the cumulative hazard with high-order accuracy while facilitating efficient end-to-end training via standard backpropagation. Furthermore, to effectively capture non-stationary hazard dynamics in complex architectures, we introduce time-conditioned low-rank adaptation, a mechanism that conditions general neural backbones on time by dynamically modulating weights via low-rank updates. We provide theoretical analysis establishing approximation error bounds for cumulative-hazard evaluation. Comprehensive experiments across synthetic benchmarks, large-scale real-world tabular datasets, and high-dimensional medical imaging tasks demonstrate that QSurv achieves competitive predictive performance with advantages in instantaneous hazard function estimation, enabling more interpretable characterization of time-varying risk patterns.
Authors: Nathan Roll, Jill Kries, Laura Gwilliams, Cory Shain
Abstract: Aphasias, selective language impairments which can arise from brain damage, reveal the functional organization of human language by providing causal links between affected brain regions and specific symptom profiles. Drawing on this literature, we introduce an aphasia-inspired technique to characterize the emergent functional organization of language models (LMs). We ``lesion'' (zero-out) model parameters and measure the effects of this intervention against clinical aphasia symptoms, as diagnosed by the Text Aphasia Battery (TAB). When applied to 112,426 outputs from five 1B-scale LMs, the full range of evaluated symptoms surface, but in distributions largely distinct from those of humans. Our method uncovers broad symptom-profile differences between attention components (query, key, value, output) and feed-forward components (up, gate, down), with weaker evidence for differences among components within the same mechanism. We also find an effect of depth, where lesions in early layers disproportionately cause syntactic and semantic symptoms while late-middle layers yield higher rates of phonological and fluency deficits. Although some LM lesions induce quantitatively more similar profiles to some human aphasia types than others, qualitative differences in symptom patterns between LMs and humans suggest that aphasia syndromes are heavily influenced by the details of learning and processing rather than being a domain-invariant consequence of disrupted language processing.
Authors: Abhijatmedhi Chotrattanapituk, Ryotaro Okabe, Eunbi Rha, Mariya Al-Hinai, Eugene Jiang, Daniel Pajerowski, Yongqiang Cheng, Joshua J. Turner, Mingda Li
Abstract: Magnetic order is a fundamental property of materials, governing collective behavior and enabling a broad range of functionalities. Yet magnetic structure remains difficult to determine: experiments are costly and specialized, while first-principles methods often struggle with the noncollinear and incommensurate orders found in real materials. Here we introduce magnetic structure network (MSN), an E(3) equivariant graph neural network that predicts both collinear and non-collinear magnetic structures directly from atomic crystal structures, trained directly on experimentally determined structures from MAGNDATA. By proposing the primitive modulated structure representation (PMSR), we are able to encode commensurate and incommensurate structures in a unified way without symmetry assumptions. The model achieves strong performance across all modulation components and reconstructs experimental magnetic structures with high fidelity. Our approach provides a scalable framework for rapid magnetic structure prediction and opens a route to data-driven discovery of magnetic materials.
Authors: Pavan Manjunath, Thomas pruefer
Abstract: The accelerating convergence of smart metering, generative artificial intelligence, and quantum-inspired combinatorial optimisation is reshaping how energy utilities manage physical infrastructure, customer engagement, and environmental accountability
Authors: Igor Bogdanov, Chung-Horng Lung, Thomas Kunz, Jie Gao, Adrian Taylor, Marzia Zaman
Abstract: Can LLM agents improve decision-making through self-generated memory without gradient updates? We propose FORGE (Failure-Optimized Reflective Graduation and Evolution), a staged, population-based protocol that evolves prompt-injected natural-language memory for hierarchical ReAct agents. FORGE wraps a Reflexion-style inner loop, where a dedicated reflection agent (using the same underlying LLM, no distillation from a stronger model) converts failed trajectories into reusable knowledge artifacts: textual heuristics (Rules), few-shot demonstrations (Examples), or both (Mixed), with an outer loop that propagates the best-performing instance's memory to the population between stages and freezes converged instances via a graduation criterion. We evaluate on CybORG CAGE-2, a stochastic network-defense POMDP at a 30-step horizon against the B-line attacker, where all four tested LLM families (Gemini-2.5-Flash-Lite, Grok-4-Fast, Llama-4-Maverick, Qwen3-235B) exhibit strongly negative, heavy-tailed zero-shot rewards. Compared against both a zero-shot baseline and a Reflexion baseline (isolated single-stream learning), FORGE improves average evaluation return by 1.7-7.7$\times$ over zero-shot and by 29-72% over Reflexion in all 12 model-representation conditions, reducing major-failure rates (below $-100$) to as low as $\sim$1%. We find that (1) population broadcast is critical mechanism, with a no-graduation ablation confirming that broadcast carries the performance gains while graduation primarily saves compute; (2) Examples achieves the strongest returns for three of four models, Rules offers the best cost-reliability profile with $\sim$40% fewer tokens; and (3) weaker baseline models benefit disproportionately, suggesting FORGE may mitigate capability gaps rather than amplify strong models. All evidence is confined to CAGE-2 B-line; cross-family findings are directional evidence.
Authors: Stratis Tsirtsis, Kai Rawal, Chris Russell, Brent Mittelstadt, Sandra Wachter
Abstract: Generative artificial intelligence (AI) is increasingly integrated into the online platforms where humans exchange opinions; large language models (LLMs) now polish users' posts on LinkedIn and provide context for content shared on X. While prior work has shown that AI can express biased opinions and shape individuals' opinions during human-AI interactions, less attention has been paid to its influence on collective opinion formation when mediating human-to-human communication. We address this gap via a combination of empirical and theoretical analyses. We show empirically that LLMs from multiple popular families introduce directional biases when instructed to edit human-written texts on contested topics, for example, nudging texts in favor of gun control and against atheism. Building on this observation, we introduce a mathematical model of opinion dynamics in which an AI system sits between users on a social network, transforming the opinions they express and perceive. By analytically characterizing the equilibrium of this model and performing simulations on real social network data, we show that biases introduced by AI in human-to-human communication can be amplified through the network and shift collective opinion in their direction. In light of these findings, we investigate whether such biases are controllable by online platforms. We audit the "Explain this post" feature on X and find evidence of pro-life bias in Grok's outputs on abortion-related content, which we trace back to specific design choices. We conclude with a discussion of the broader implications of our findings in relation to ongoing legislative efforts in the European Union.
Authors: Pavan Manjunath, Thomas Pruefer
Abstract: Distribution utilities are now expected to deliver bills that customers can actually read attach a defensible carbon number to every kWh sold and schedule load against grid stress and emissions constraints We propose an end-to-end framework that unifies four production-grade capabilities under one architectural roof a generative-AI agent that drafts each customers natural-language billing statement from structured numeric inputs under a constrained decoding policy a transformer-based forecaster that supplies the day-ahead consumption estimate with calibrated quantile bands
Authors: Yongcun Song, Ziqi Wang, Enrique Zuazua
Abstract: Federated Learning (FL) is a distributed learning paradigm that enables multiple clients to collaborate on building a machine learning model without sharing their private data. Although FL is considered privacy-preserved by design, recent data reconstruction attacks demonstrate that an attacker can recover clients' training data based on the parameters shared in FL. However, most existing methods fail to attack the most widely used horizontal Federated Averaging (FedAvg) scenario, where clients share model parameters after multiple local training steps. To tackle this issue, we propose an interpolation-based approximation method, which makes attacking FedAvg scenarios feasible by generating the intermediate model updates of the clients' local training processes. Then, we design a layer-wise weighted loss function to improve the data quality of reconstruction. We assign different weights to model updates in different layers concerning the neural network structure, with the weights tuned by Bayesian optimization. Finally, experimental results validate the superiority of our proposed approximate and weighted attack (AWA) method over the other state-of-the-art methods, as demonstrated by the substantial improvement in different evaluation metrics for image data reconstructions.
Authors: Leo Muxing Wang, Pengkun Yang, Lili Su
Abstract: Large-scale multi-agent systems are often deployed across wide geographic areas, where agents interact with heterogeneous environments. There is an emerging interest in understanding the role of heterogeneity in the performance of the federated versions of classic reinforcement learning algorithms. In this paper, we study synchronous federated Q-learning, which aims to learn an optimal Q-function by having $K$ agents average their local Q-estimates per $E$ iterations. We observe an interesting phenomenon on the convergence speeds in terms of $K$ and $E$. Similar to the homogeneous environment settings, there is a linear speed-up concerning $K$ in reducing the errors that arise from sampling randomness. Yet, in sharp contrast to the homogeneous settings, $E>1$ leads to significant performance degradation. Specifically, we provide a fine-grained characterization of the error evolution in the presence of environmental heterogeneity, which decay to zero as the number of iterations $T$ increases. The slow convergence of having $E>1$ turns out to be fundamental rather than an artifact of our analysis. We prove that, for a wide range of stepsizes, the $\ell_{\infty}$ norm of the error cannot decay faster than $\Theta (E/T)$. In addition, our experiments demonstrate that the convergence exhibits an interesting two-phase phenomenon. For any given stepsize, there is a sharp phase-transition of the convergence: the error decays rapidly in the beginning yet later bounces up and stabilizes. Provided that the phase-transition time can be estimated, choosing different stepsizes for the two phases leads to faster overall convergence.
Authors: Leonardo Ferreira Guilhoto, Paris Perdikaris
Abstract: This paper explores alternative formulations of the Kolmogorov Superposition Theorem (KST) as a foundation for neural network design. The original KST formulation, while mathematically elegant, presents practical challenges due to its limited insight into the structure of inner and outer functions and the large number of unknown variables it introduces. Kolmogorov-Arnold Networks (KANs) leverage KST for function approximation, but they have faced scrutiny due to mixed results compared to traditional multilayer perceptrons (MLPs) and practical limitations imposed by the original KST formulation. To address these issues, we introduce ActNet, a scalable deep learning model that builds on the KST and overcomes many of the drawbacks of Kolmogorov's original formulation. We evaluate ActNet in the context of Physics-Informed Neural Networks (PINNs), a framework well-suited for leveraging KST's strengths in low-dimensional function approximation, particularly for simulating partial differential equations (PDEs). In this challenging setting, where models must learn latent functions without direct measurements, ActNet consistently outperforms KANs across multiple benchmarks and is competitive against the current best MLP-based approaches. These results present ActNet as a promising new direction for KST-based deep learning applications, particularly in scientific computing and PDE simulation tasks.
Authors: Pritam Anand, Tathagata Bandyopadhyay, Suresh Chandra
Abstract: This paper proposes a novel loss function, called 'Tube Loss', for simultaneous estimation of bounds of a Prediction Interval (PI) in the regression setup. The PIs obtained by minimizing the empirical risk based on the Tube Loss are shown to be of better quality than the PIs obtained by the existing methods in the following sense. First, it yields intervals that attain the prespecified confidence level t $\in$ (0,1) asymptotically. A theoretical proof of this fact is given. Secondly, the user is allowed to move the interval up or down by controlling the value of a parameter. This helps the user to choose a PI capturing denser regions of the probability distribution of the response variable inside the interval, and thus, sharpening its width. This is shown to be especially useful when the conditional distribution of the response variable is skewed. Further, the Tube Loss based PI estimation method can trade-off between the coverage and the average width by solving a single optimization problem. It enables further reduction of the average width of PI through re-calibration. Also, unlike a few existing PI estimation methods the gradient descent (GD) method can be used for minimization of empirical risk. Through extensive experiments, we demonstrate the effectiveness of Tube Loss-based PI estimation in both kernel machines and neural networks. Additionally, we show that Tube Loss-based deep probabilistic forecasting models achieve superior performance compared to existing probabilistic forecasting techniques across several benchmark and wind datasets. Finally, we empirically validate the advantages of the Tube loss approach within the conformal prediction framework. Codes are available at https://github.com/ltpritamanand/Tube$\_$loss.
Authors: Wenyun Li, Wenjie Huang, Chen Sun
Abstract: In many real-world scenarios, reward signal for agents are exceedingly sparse, making it challenging to learn an effective reward function for reward shaping. To address this issue, the proposed approach in this paper performs reward shaping not only by utilizing non-zero-reward transitions but also by employing the \emph{Semi-Supervised Learning} (SSL) technique combined with a novel data augmentation to learn trajectory space representations from the majority of transitions, {i.e}., zero-reward transitions, thereby improving the efficacy of reward shaping. Experimental results in Atari and robotic manipulation demonstrate that our method outperforms supervised-based approaches in reward inference, leading to higher agent scores. Notably, in more sparse-reward environments, our method achieves up to twice the peak scores compared to supervised baselines. The proposed double entropy data augmentation enhances performance, showcasing a 15.8\% increase in best score over other augmentation methods
Authors: Moslem Noori, Elisabetta Valiante, Thomas Van Vaerenbergh, Masoud Mohseni, Ignacio Rozada
Abstract: A key trait of stochastic optimizers is that multiple runs of the same optimizer in attempting to solve the same problem can produce different results. As a result, their performance is evaluated over several repeats, or runs, on the problem. However, the accuracy of the estimated performance metrics depends on the number of runs and should be studied using statistical tools. We present a statistical analysis of the common metrics, and develop guidelines for experiment design to measure the optimizer's performance using these metrics to a high level of confidence and accuracy. To this end, we first discuss the confidence interval of the metrics and how they are related to the number of runs of an experiment. We then derive a lower bound on the number of repeats in order to guarantee achieving a given accuracy in the metrics. Using this bound, we propose an algorithm to adaptively adjust the number of repeats needed to ensure the accuracy of the evaluated metric. Our simulation results demonstrate the utility of our analysis and how it allows us to conduct reliable benchmarking as well as hyperparameter tuning and prevent us from drawing premature conclusions regarding the performance of stochastic optimizers.
Authors: Francesco Capuano, Gabriele Tiboni, Niccol\`o Cavagnero, Giuseppe Averta
Abstract: Existing hardware-aware NAS (HW-NAS) methods typically assume access to precise information circa the target device, either via analytical approximations of the post-compilation latency model, or through learned latency predictors. Such approximate approaches risk introducing estimation errors that may prove detrimental in risk-sensitive applications. In this work, we propose a two-stage HW-NAS framework, in which we first learn an architecture controller on a distribution of synthetic devices, and then directly deploy the controller on a target device. At test-time, our network controller deploys directly to the target device without relying on any pre-collected information, and only exploits direct interactions. In particular, the pre-training phase on synthetic devices enables the controller to design an architecture for the target device by interacting with it through a small number of high-fidelity latency measurements. To guarantee accessibility of our method, we only train our controller with training-free accuracy proxies, allowing us to scale the meta-training phase without incurring the overhead of full network training. We benchmark on HW-NATS-Bench, demonstrating that our method generalizes to unseen devices and searches for latency-efficient architectures by in-context adaptation using only a few real-world latency evaluations at test-time.
Authors: Yemin Yu, Emre Hayir, Neil Tenenholtz, Lester Mackey, Ying Wei, David Alvarez-Melis, Ava P. Amini, Alex X. Lu
Abstract: Recent advances in self-supervised deep learning have improved our ability to quantify cellular morphological changes in high-throughput microscopy screens, a process known as morphological profiling. However, most current methods only learn from images, despite many screens being inherently multimodal, as they involve both a chemical or genetic perturbation as well as an image-based readout. We hypothesized that incorporating chemical compound structures during self-supervised pre-training could improve learned representations of images from high-throughput microscopy screens. We introduce a representation learning framework, MICON (Molecular-Image Contrastive Learning), that models chemical compounds as treatments that induce transformations of cell phenotypes. MICON significantly outperforms classical hand-crafted features such as CellProfiler and existing deep-learning-based representation learning methods in challenging evaluation settings where models must identify reproducible effects of drugs across independent replicates and data-generating centers. We demonstrate that incorporating chemical compound information into the learning process provides small, but consistent improvements in performance and that modeling compounds specifically as treatments outperforms approaches that directly align images and compounds in a single representation space. Our findings point to a new direction for representation learning in morphological profiling, suggesting that methods should explicitly account for the multimodal nature of microscopy screening data.
Authors: Ruicheng Ao, Gan Luo, David Simchi-Levi, Xinshang Wang
Abstract: Large language models now serve millions of users daily, with providers incurring costs exceeding $700,000 per day. Each request requires token-by-token inference, making GPU scheduling central to latency, capacity, and cost. The difficulty is endogenous memory growth: generated tokens expand the Key-Value (KV) cache, and overflow can evict in-progress requests and waste prior computation. We formulate inference as a multi-stage online scheduling problem with endogenous memory growth, linear iteration times, and GPU-resident KV-cache constraints. We introduce a fluid model that characterizes equilibrium batch composition, memory requirement, and stability region. Guided by the fluid model, we design WAIT (Waiting for Accumulated Inference Threshold), a threshold-based admission rule for known output lengths, and Nested WAIT, which extends the rule to unknown output lengths by regulating how requests advance across decode-stage segments. Both algorithms approximate the fluid benchmark asymptotically under the stated memory conditions. Nested WAIT uses an additional safety buffer of moderate scale to hedge against memory-overflow-induced evictions under unknown output lengths. In Vidur simulations configured for Llama-2-7B on an A100 GPU, with supplemental real-GPU validation reported in the appendix, the policies enlarge the empirically observed stable operating range relative to widely used baseline algorithms and reduce latency especially in near-overloaded and overloaded regimes.
Authors: Yang Li
Abstract: As large language models (LLMs) grow in scale and specialization, routing--selecting the best model for a given input--has become essential for efficient and effective deployment. While recent methods rely on complex learned routing strategies, their dependence on disparate training data and evaluation setups makes comparison and generalization difficult. In this work, we revisit LLM routing through the lens of simplicity. We show that a well-tuned k-Nearest Neighbors (kNN) approach not only matches but often outperforms state-of-the-art learned routers across diverse tasks. To support systematic evaluation, we introduce a suite of standardized routing benchmarks spanning instruction-following, question-answering, and reasoning tasks, as well as the first multi-modal routing dataset involving visual inputs. Our findings reveal that the locality properties of model performance in embedding space enable simple non-parametric methods to achieve strong routing decisions with lower sample complexity than parametric approaches. This challenges the prevailing trend toward sophisticated architectures and highlights the importance of thoroughly evaluating simple baselines before investing in complex solutions. To support reproducibility and further exploration, we will release all benchmarks and code upon publication.
Authors: Yuantu Zhu, Zheyan Li, Dai Shi, Luke Thompson, Oliver Nash, Jose Miguel Lara Rangel, Siran Li, Bingguang Chen, Rongchan Zhu, Qi Meng, Hao Ni
Abstract: Stochastic Partial Differential Equations (SPDEs) driven by random noise play a central role in modeling physical processes with rough spatio-temporal dynamics, such as turbulence flows, superconductors, and quantum dynamics. Although machine learning (ML)-based surrogate models have shown promise for efficiently approximating such dynamics, progress remains limited by the lack of a unified benchmark with controlled data generation and comprehensive evaluation. This gap is particularly significant for singular SPDEs, for which benchmark datasets are largely unavailable and reliable simulation requires numerically delicate schemes based on renormalization. Moreover, subtle differences in data-generation procedures, such as noise approximation, basis choice, and the inclusion of renormalization, can significantly affect the resulting datasets and, consequently, model evaluation. We introduce SPDEBench, the first unified benchmark for ML-based SPDE learning. SPDEBench provides ready-to-use datasets for physically and mathematically significant SPDEs on 1-3D domains with periodic or Dirichlet boundary condition. Both regular and singular SPDEs are taken into consideration. SPDEBench also incorporates representative ML baselines in operator learning, together with 7 evaluation metrics, including Sobolev and distributional metrics beyond the standard $L^2$-error. Supported by SPDEBench, we conduct systematic evaluations of model accuracy, robustness, and out-of-distribution generalization under controlled data variations. Our numerical results show that SPDE-aware architectures generally achieve stronger performance than generic operator-learning baselines. These findings establish SPDEBench as a reproducible and extensible resource, paving pathway for principled benchmarking and architecture design for stochastic spatio-temporal dynamics.
Authors: Xiaoqiang Lin, Arun Verma, Zhongxiang Dai, Daniela Rus, See-Kiong Ng, Bryan Kian Hsiang Low
Abstract: The recent success in using human preferences to align large language models (LLMs) has significantly improved their performance in various downstream tasks, such as question answering, mathematical reasoning, and code generation. However, achieving effective LLM alignment depends on high-quality datasets of human preferences. Collecting these datasets requires human preference annotation, which is costly and resource-intensive, necessitating efficient active data selection methods. Existing methods either lack a strong theoretical foundation or depend on restrictive assumptions about the reward function, such as linear latent reward functions. To this end, we propose an algorithm, ActiveDPO, that uses a theoretically grounded data selection criterion for non-linear reward functions while directly leveraging the LLM itself to parameterize the reward model used for active data selection. As a result, ActiveDPO explicitly accounts for the LLM's influence on data selection, unlike methods that select data without considering the LLM that is being aligned, thereby leading to more effective and efficient data collection. Our extensive experiments demonstrate that ActiveDPO outperforms existing methods across various models and real-world preference datasets.
Authors: Andreas Bergmeister, Manish Krishan Lal, Stefanie Jegelka, Suvrit Sra
Abstract: We present a feasibility-seeking approach to neural network training. This mathematical optimization framework is distinct from conventional gradient-based loss minimization and uses projection operators and iterative projection algorithms. We reformulate training as a large-scale feasibility problem: finding network parameters and states that satisfy local constraints derived from its elementary operations. Training then involves projecting onto these constraints, a local operation that can be parallelized across the network. We introduce PJAX, a JAX-based software framework that enables this paradigm. PJAX composes projection operators for elementary operations, automatically deriving the solution operators for the feasibility problems (akin to autodiff for derivatives). It inherently supports GPU/TPU acceleration, provides a familiar NumPy-like API, and is extensible. We train diverse architectures (MLPs, CNNs, RNNs) on standard benchmarks using PJAX, demonstrating its functionality and generality. Our results show that this approach is a compelling alternative to gradient-based training, with clear advantages in parallelism and the ability to handle non-differentiable operations.
Authors: Prabhat Nagarajan, Martha White, Marlos C. Machado
Abstract: Double Q-learning is a classical control algorithm that mitigates the maximization bias of Q-learning. To do so, it explicitly trains two independent action-value functions and uses them to decouple action-selection and action-evaluation when computing bootstrap targets. Double DQN adapts target bootstrap decoupling to deep reinforcement learning (RL), but explicitly trains only a single action-value function and does not fully decouple its estimators. Consequently, the two estimators remain correlated, and overestimation persists. In this paper, we introduce Deep Double Q-learning (DDQL), a deep RL algorithm that explicitly trains two Q-functions through Double Q-learning. DDQL stabilizes training through a combination of techniques, including lower replay ratios, longer target network update intervals, and shared layers. Across 57 Atari 2600 games, DDQL improves aggregate performance over Double DQN, outperforming it on 47 games while further reducing overestimation. In addition, we study key design choices when adapting Double Q-learning to deep RL, including the network architecture, replay ratio, and minibatch sampling strategies.
Authors: Zeyu Huang, Tianhao Cheng, Zihan Qiu, Zili Wang, Yinghui Xu, Edoardo M. Ponti, Ivan Titov
Abstract: Existing LLMs-post-training techniques are broadly categorized into supervised fine-tuning (SFT) and reinforcement fine-tuning (RFT). Each paradigm presents a distinct trade-off: (1) SFT excels at mimicking demonstration data, but can lead to problematic generalization as a form of behavior cloning. (2) Conversely, RFT can significantly enhance a model's performance but is prone to learning unexpected behaviors, and its performance is sensitive to the initial policy. In this paper, we propose a unified view of these methods and introduce Prefix-RFT, a hybrid approach that synergizes learning from both demonstration and exploration. Using mathematical reasoning problems as a test bed, we empirically demonstrate that Prefix-RFT is simple yet effective. Not only does it surpass the performance of standalone SFT and RFT, but it also outperforms parallel mixed-policy RFT methods. Our analysis highlights the complementary nature of SFT and RFT, validating that Prefix-RFT effectively harmonizes them. Further ablation studies confirm the method's robustness to variations in the quality and quantity of demonstration data.
Authors: Mehul Damani, Isha Puri, Stewart Slocum, Idan Shenfeld, Leshem Choshen, Yoon Kim, Jacob Andreas
Abstract: When language models (LMs) are trained via reinforcement learning (RL) to generate natural language "reasoning chains", their performance improves on a variety of difficult question answering tasks. Today, almost all successful applications of RL for reasoning use binary reward functions that evaluate the correctness of LM outputs. Because such reward functions do not penalize guessing or low-confidence outputs, they often have the unintended side-effect of degrading calibration and increasing the rate at which LMs generate incorrect responses (or "hallucinate") in other problem domains. This paper describes RLCR (Reinforcement Learning with Calibration Rewards), an approach to training reasoning models that jointly improves accuracy and calibrated confidence estimation. During RLCR, LMs generate both predictions and numerical confidence estimates after reasoning. They are trained to optimize a reward function that augments a binary correctness score with a Brier score -- a scoring rule for confidence estimates that incentivizes calibrated prediction. We first prove that this reward function (or any reward function that uses a bounded, proper scoring rule) yields models whose predictions are both accurate and well-calibrated. We next show that across diverse datasets, RLCR substantially improves calibration with no loss in accuracy, on both in-domain and out-of-domain evaluations -- outperforming both ordinary RL training and classifiers trained to assign post-hoc confidence scores. While ordinary RL hurts calibration, RLCR improves it. Finally, we demonstrate that verbalized confidence can be leveraged at test time to improve accuracy and calibration via confidence-weighted scaling methods. Our results show that explicitly optimizing for calibration can produce more generally reliable reasoning models. Code, models, and further info is available at https://rl-calibration.github.io/.
Authors: Xing Wei, Yuanhang Wang, Duoxiang Zhao, Zezhou Zhang, Hao Qin, Yuqi Ouyang
Abstract: Reliable path planning in stochastic transportation networks requires decisions that account for uncertain and correlated travel times on irregular road graphs, rather than only minimizing expected delay. Such networks exhibit strong spatial-temporal coupling, where link travel times evolve as stochastic processes over graph edges, making the problem inherently sequential under uncertainty. Existing stochastic on-time arrival (SOTA) methods primarily depend on the current node and remaining budget, which limits their ability to exploit trajectory-level temporal structure and history-dependent correlations. This work proposes GPG-HT, a history-aware graph-signal policy framework that integrates a Decision Transformer with generalized policy gradient optimization for reliable routing. By attending to historical node-edge-time observations, GPG-HT captures non-Markovian spatial-temporal dependencies and enables context-aware decision making under uncertainty. Experiments on the Sioux Falls and Anaheim networks demonstrate consistent gains in on-time arrival probability over representative optimization and reinforcement learning baselines.
Authors: Dongseok Kim, Hyoungsun Choi, Mohamed Jismy Aashik Rasool, Gisung Oh
Abstract: Explaining a trained model requires a clear account of how explanatory evidence is generated. We propose CUBE, a post-hoc explanation framework that brings factorial experimental design to black-box model analysis. CUBE evaluates a trained predictor on balanced low--high probe combinations and summarizes the responses as factorial effects. Main effects and pairwise interactions are interpreted as controlled contrasts on a specified explanation region. Complete factorial probes identify these effects exactly on the selected design space, while fractional probes reduce query cost and expose aliasing and resolution constraints. Experiments on synthetic and real tabular tasks show that CUBE recovers dominant learned effect structure and clarifies the identifiability limits of query-efficient explanations.
Authors: Ramona Rubini, Siavash Khodakarami, Aniruddha Bora, George Em Karniadakis, Michele Dassisti
Abstract: Accurate time-series forecasting for complex physical systems is the backbone of modern industrial monitoring and control, yet deep learning models often lack the physical consistency required in regulated environments.To bridge this gap, we introduce Process-Informed Forecasting (PIF) models for temperature in pharmaceutical lyophilization, embedding deterministic production recipes as macro-structural priors. We investigate classical methods (e.g., Autoregressive Integrated Moving Average (ARIMA) model) and modern deep learning architectures, including Kolmogorov-Arnold Networks (KANs). We compare three different loss function formulations that integrate a process-informed trajectory prior: a fixed-weight loss, a dynamic uncertainty-based loss, and a Residual-Based Attention (RBA) mechanism. We evaluate all models not only for accuracy and physical consistency but also for robustness to sensor noise. Furthermore, we test the practical generalizability of the best model in a transfer-learning scenario to a new process. Our results show that PIF models outperform their data-driven counterparts in terms of accuracy, physical plausibility and noise resilience, offering a scalable framework for reliable and generalizable forecasting solutions in critical manufacturing.
Authors: George Yakushev, Alina Shutova, Ivan Rubachev, Natalia Bereberdina, Renat Sergazinov, Artem Babenko
Abstract: Tabular foundation models are becoming increasingly popular for low-resource tabular problems. These models make up for small training datasets by pretraining on large volumes of synthetic data. The prior knowledge obtained via pretraining provides the exceptional performance, but the resulting model becomes a black box that is difficult to interpret and costly for inference. In this work, we explore an alternative strategy: using reasoning-capable LLMs to induce decision trees for small tabular datasets in an agentic setup. We design a minimal set of tools for constructing, analyzing, and manipulating decision trees. Equipped with these tools, the LLM combines its prior knowledge with learning from data to produce a lightweight decision tree that outperforms CART and recent non-greedy tree learners and remains competitive with tree ensembles on low-resource tabular problems. While a single agentic decision tree is competitive with state-of-the-art black box models, it also comes with a human-readable reasoning trace that can be checked for biases and data leaks. Furthermore, the reasoning-based LLM's creation process allows for additional human input to be incorporated into the tree without it being captured in data.
Authors: Davide Bizzaro, Alessandro Daniele
Abstract: Neurosymbolic integration (NeSy) blends neural-network learning with symbolic reasoning. The field can be split between methods injecting hand-crafted rules into neural models, and methods inducing symbolic rules from data. We introduce Logic of Hypotheses (LoH), a novel language that unifies these strands, enabling the flexible integration of data-driven rule learning with symbolic priors and expert knowledge. LoH extends propositional logic syntax with a choice operator, which has learnable parameters and selects a subformula from a pool of options. Using fuzzy logic, formulas in LoH can be directly compiled into a differentiable computational graph, so the optimal choices can be learned via backpropagation. This framework subsumes some existing NeSy models, while adding the possibility of arbitrary degrees of knowledge specification. Moreover, the use of G\"odel fuzzy logic and the recently developed G\"odel trick yields models that can be discretized to hard Boolean-valued functions without any loss in performance. We provide experimental analysis on such models, showing strong results on tabular data and on two NeSy tasks with a perceptual component.
Authors: Jo\~ao Paulo Vieira, Victor Afonso Bauler, Rodrigo Kobashikawa Rosa, Danilo Silva
Abstract: Reliable detection of bearing faults is essential for maintaining the safety and operational efficiency of rotating machinery. While recent advances in machine learning (ML), particularly deep learning, have shown strong performance in controlled settings, many studies fail to generalize to real-world applications due to methodological flaws, most notably data leakage. This paper investigates the issue of data leakage in vibration-based bearing fault diagnosis and its impact on model evaluation. We demonstrate that common dataset partitioning strategies, such as segment-wise and condition-wise splits, introduce spurious correlations that inflate performance metrics. To address this, we propose a rigorous, leakage-free evaluation methodology centered on bearing-wise data partitioning, ensuring no overlap between the physical components used for training and testing. Additionally, we reformulate the classification task as a multi-label problem, enabling the detection of co-occurring fault types and the use of prevalence-independent metrics based on the ROC curve. Beyond preventing leakage, we also examine the effect of dataset diversity on generalization, showing that the number of unique training bearings is a decisive factor for achieving robust performance. We evaluate our methodology on four widely adopted datasets: CWRU, Paderborn University (PU), University of Ottawa (UORED-VAFCLS) and HUST bearing. This study highlights the importance of leakage-aware evaluation protocols and provides practical guidelines for dataset partitioning, model selection, and validation, fostering the development of more trustworthy ML systems for industrial fault diagnosis applications.
Authors: Fedor Velikonivtsev, Oleg Platonov, Ekaterina Alimaskina, Gleb Bazhenov, Liudmila Prokhorenkova
Abstract: Modeling traffic dynamics is a critical challenge for urban computing, with applications from real-time traffic management to infrastructure planning. However, progress in this area is fundamentally constrained by a lack of large-scale public datasets that capture the subtle properties of real city road networks. Existing benchmarks are often limited by their small scale, reliance on sparse highway traffic sensors, absence of true road connectivity information, and lack of information about road properties. To address this issue, we introduce datasets representing fine-grained road networks of two major cities, which are unique in their scale (up to 100,000 road segments), use of real road connectivity, presence of time series measurements for both traffic speed and volume at a 5-minute resolution, and inclusion of rich static road attributes. These datasets enable in-depth analysis of spatiotemporal traffic patterns and can serve as benchmarks for various ML applications. As a practical demonstration of the utility of our datasets and the challenges they present, we use them for the task of traffic forecasting. The size of the real-world road networks in our datasets reveals significant scalability issues in current traffic forecasting models. To address them, we propose a simple and efficient baseline that not only scales to large road graphs but also achieves forecasting performance competitive with other established spatiotemporal models. We hope that the proposed datasets will serve as a foundational resource for a broad range of research in traffic modeling, urban computing, and smart city development.
Authors: Parth Asawa, Alan Zhu, Abigail O'Neill, Matei Zaharia, Alexandros G. Dimakis, Joseph E. Gonzalez
Abstract: Frontier language models are deployed as black-box services, where model weights cannot be modified and customization is limited to prompting. We introduce Advisor Models, a method to train small open-weight models to generate dynamic, per-instance natural language advice that improves the capabilities of black-box frontier models. Advisor Models improve GPT-5.2's performance on RuleArena (Taxes) by 27.4%, reduce Gemini 3 Pro's steps taken in SWE agent tasks by 24.6%, and outperform static prompt optimizers in personalizing GPT-5 to user preferences (85-100% vs. 40-60%). We also find that advisors are transferable: an advisor trained with a low-cost student model still transfers improvements to a frontier model. Moreover, Advisor Models are robust: we observe no degradation on other benchmarks than the pipeline is trained on. Our method shows how to perform parametric optimization for black-box frontier models in a practical and cost-effective way.
Authors: Ali Saheb Pasand, Elvis Dohmatob
Abstract: Grokking is the phenomenon whereby, unlike the training performance, which peaks early in the training process, the test/generalization performance of a model stagnates over arbitrarily many epochs and then suddenly jumps to usually close to perfect levels. In practice, it is desirable to reduce the length of such plateaus, that is to make the learning process "grok" faster. In this work, we provide new insights into grokking. First, we show both empirically and theoretically that grokking can be induced by asymmetric speeds of (stochastic) gradient descent, along different principal (i.e singular directions) of the gradients. We then propose a simple modification that normalizes the gradients so that dynamics along all the principal directions evolves at exactly the same speed. Then, we establish that this modified method, which we call egalitarian gradient descent (EGD) and can be seen as a carefully modified form of natural gradient descent, groks much faster. In fact, in some cases the stagnation is completely removed. Finally, we empirically show that on classical arithmetic problems such as modular addition and sparse parity problem which this stagnation has been widely observed and intensively studied, that our proposed method eliminates the plateaus.
Authors: F\'elix Vandervorst, Bruno Deprez, Wouter Verbeke, Tim Verdonck
Abstract: Graph-based methods are becoming increasingly popular in machine learning due to their ability to model complex data and relations. Insurance fraud is a prime use case, since fraudulent claims are often the result of organised criminals that stage accidents or the same persons filing erroneous claims on multiple policies. One challenge is that graph-based approaches struggle to find meaningful representations of the data because of the high class imbalance present in fraud data. In addition, insurance graphs are heterogeneous and dynamic, given the changing relations among people, companies and policies. As a result, gradient-boosted tree approaches on tabular data still dominate the field. Therefore, we present a novel inductive graph gradient boosting machine (G-GBM) for supervised learning on heterogeneous and dynamic graphs. G-GBM combines the class-imbalance robustness of gradient boosting with heterogeneous graph information encoded through interpretable path-level feature concatenations, while preserving access to the original tabular feature space. In addition, the explicit representation of neighbourhood information enables transparent SHAP-based explanations at the metapath and feature level. We demonstrate G-GBM for insurance fraud detection on an open-source and a real-world, proprietary dataset, and find that G-GBM performs on par or better than the state-of-the-art. The associated insurance fraud dataset is publicly released to facilitate reproducibility.
Authors: Ruizhe Wang, Yucheng Ding, Xiao Liu, Yaoxiang Wang, Peng Cheng, Baining Guo, Zhengjun Zha, Yeyun Gong
Abstract: As the computational demands for pre-training Large Language Models (LLMs) continue to surge, the need for efficient training paradigms becomes critical. Despite the vast resources already invested in existing pre-trained checkpoints, these assets often remain under-leveraged due to architectural limitations. We introduce an "orthogonal growth" strategy designed to "recycle" these checkpoints by strategically expanding their parameters prior to continued training. Our method focuses on optimizing converged Mixture-of-Experts (MoE) models through two dimensions: interpositional layer copying for increased depth and noisy expert duplication for expanded width. Through extensive scaling laws analysis, we demonstrate a strong positive correlation between the "sunk cost" (prior investment) and the final model accuracy. Empirical results on models up to 70B parameters and 1T tokens show that our recycling approach yields a 10.6% accuracy improvement compared to training from scratch under identical extra compute budgets. This work provides a cost-effective blueprint for sustainable large-scale LLM development.
Authors: Mengqi Li, Lei Zhao, Anthony Man-Cho So, Ruoyu Sun, Xiao Li
Abstract: Can language models improve their reasoning performance without external rewards, using only their own sampled responses for training? We show that they can. We propose Self-evolving Post-Training (SePT), a simple post-training method that alternates between self-generation and training on self-generated responses. It repeatedly samples questions, uses the model itself to generate responses under a specified sampling temperature, and then trains the model on the self-generated data. In this self-training loop, we use an online data refresh mechanism, where each new batch is generated by the most recently updated model. Across six math reasoning benchmarks, SePT improves a strong no-training baseline, defined as the untuned base model evaluated at its best swept decoding temperature, on several tested models. Additional ablations demonstrate the importance of online data refresh and temperature dynamics. Overall, our results identify a practical regime where reasoning can be improved using self-generated supervision alone. Our code is available at https://github.com/ElementQi/SePT.
Authors: Soutrik Sarangi, Yonatan Sverdlov, Nadav Dym, Abir De
Abstract: Motivated by applications for set containment problems, we consider the following fundamental problem: can we design set-to-vector functions so that the natural partial order on sets is preserved, namely $S\subseteq T \text{ if and only if } F(S)\leq F(T) $. We call functions satisfying this property Monotone and Separating (MAS) set functions. % We establish lower and upper bounds for the vector dimension necessary to obtain MAS functions, as a function of the cardinality of the multisets and the underlying ground set. In the important case of an infinite ground set, we show that MAS functions do not exist, but provide a model called our which provably enjoys a relaxed MAS property we name "weakly MAS" and is stable in the sense of Holder continuity. We also show that MAS functions can be used to construct universal models that are monotone by construction and can approximate all monotone set functions. Experimentally, we consider a variety of set containment tasks. The experiments show the benefit of using our our model, in comparison with standard set models which do not incorporate set containment as an inductive bias. Our code is available in https://github.com/structlearning/MASNET.
Authors: Jamison Meindl, Yunsheng Tian, Tony Cui, Veronika Thost, Zhang-Wei Hong, Jie Chen, Wojciech Matusik, Mina Konakovi\'c Lukovi\'c
Abstract: Optimizing an experimental system can be extremely challenging when each experiment is expensive, time-consuming, or difficult to perform. Existing optimizers for expensive black-box problems, such as Bayesian optimization, are typically limited to numerical or categorical observations. They do not make use of broader domain knowledge, such as expert heuristics, relevant scientific papers, or similar previous experiments. Large language models (LLMs) can interpret this semantic information; however, even state-of-the-art LLMs struggle to reliably solve black-box optimization problems. We introduce SemanticOpt, a framework for semantic black-box optimization that equips LLMs with optimization capabilities by fine-tuning them on structured Bayesian optimization trajectories augmented with natural-language context. SemanticOpt jointly uses numerical and semantic evidence when proposing new experiments, while producing interpretable predictions aligned with Bayesian surrogate models. We construct a range of real-world optimization problems paired with semantic information to create a diverse benchmark for evaluating semantic black-box optimization. Across these domains, SemanticOpt outperforms both classical optimizers and existing LLM-based approaches on average when given relevant semantic information.
Authors: Vincent-Daniel Yun, Junhyuk Jo, Sunwoo Lee
Abstract: Deep neural networks achieve outstanding performance across vision and language tasks, yet their large parameter counts limit deployment in resource-constrained settings. One-shot pruning reduces model size without retraining, but models trained with standard objectives often suffer substantial accuracy drops under aggressive sparsity. Prior work mitigates this drop along two directions: regularizers such as $\ell_1$ and DeepHoyer that shape the weight distribution during training, and pruning-robust optimizers such as SAM, CrAM, and S$^2$SAM that flatten the loss landscape. However, existing regularizers either shrink all weights uniformly ($\ell_1$) or induce scale-invariant sparsity (DeepHoyer), without concentrating weight energy onto a small set of informative parameters. We propose a Weight Concentration Regularizer (WCR), a training-time regularizer that amplifies the magnitude of a small subset of parameters while driving the remainder toward zero, so that magnitude pruning predominantly removes parameters with negligible functional contribution. We provide a convergence analysis and evaluate WCR on LLM fine-tuning, image classification, and medical segmentation, demonstrating consistent improvements in pruning robustness across architectures and compatibility with existing pruning-robust optimizers.
Authors: Benyamin Ghojogh, M. Hadi Sepanj, Paul Fieguth
Abstract: Self-supervised learning (SSL) has recently advanced through non-contrastive methods that couple an invariance term with variance, covariance, or redundancy-reduction penalties. While such objectives shape first- and second-order statistics of the representation, they largely ignore the local geometry of the underlying data manifold. In this paper, we introduce CurvSSL, a curvature-regularized self-supervised learning framework, and its RKHS extension, kernel CurvSSL. Our approach retains a standard two-view encoder-projector architecture with a Barlow Twins-style redundancy-reduction loss on projected features, but augments it with a curvature-based regularizer. Each embedding is treated as a vertex whose $k$ nearest neighbors define a discrete curvature score via cosine interactions on the unit hypersphere; in the kernel variant, curvature is computed from a normalized local Gram matrix in an RKHS. These scores are aligned and decorrelated across augmentations by a Barlow-style loss on a curvature-derived matrix, encouraging both view invariance and consistency of local manifold bending. Experiments on MNIST and CIFAR-10 datasets with a ResNet-18 backbone show that curvature-regularized SSL yields competitive or improved linear evaluation performance compared to Barlow Twins and VICReg. Our results indicate that explicitly shaping local geometry is a simple and effective complement to purely statistical SSL regularizers.
Authors: Douglas Spencer, Samual Nicholls, Michele Caprio
Abstract: Quantum machine learning seeks to leverage quantum computers to improve upon classical machine learning algorithms. Currently, robust uncertainty quantification methods remain underdeveloped in the quantum domain, despite the critical need for reliable and trustworthy predictions. Recent work has introduced quantum conformal prediction, a framework that produces prediction sets that are guaranteed to contain the true outcome with a user-specified probability. In this work, we formalise how the time-varying noise inherent in quantum processors can undermine conformal guarantees, even when calibration and test data are exchangeable. To address this challenge, we draw on Adaptive Conformal Inference, a method which maintains validity over time via repeated recalibration. We introduce Adaptive Quantum Conformal Prediction (AQCP), an algorithm which provides asymptotic average coverage guarantees under arbitrary hardware noise conditions. Empirical studies on an IBM quantum processor demonstrate that AQCP achieves the target coverage level and exhibits greater stability than quantum conformal prediction.
Authors: Dongsung Huh, Lior Horesh, Halyun Jeong
Abstract: Discovering discrete algebraic rules from data is a fundamental challenge in machine learning. We formalize this problem through Cayley-table completion -- an algebraic counterpart to classical matrix completion -- where the degree of associativity violation replaces linear rank as the intrinsic measure of complexity. We provide the first optimization landscape analysis of HyperCube, an operator-valued tensor factorization, on the fully observed target table $\delta$, proving that its global infimum $H_{\inf}(\delta) := \inf_{\Theta \in F_\delta} H(\Theta)$ implicitly defines an exact differentiable measure for this complexity. We show that HyperCube's native objective $H(\Theta)$ decomposes into two components: geometric alignment (collinearity) and an inverse $\ell_2$ penalty. We establish that these continuous variational pressures induce core discrete properties: collinearity enforces associativity (Collinearity--Associativity Equivalence), and the inverse $\ell_2$ penalty reduces to an exact inverse rank penalty within the collinear manifold, driving the parameters toward full-rank unitarity. Consequently, we derive an absolute lower bound $H(\Theta) \ge H_{\inf}(\delta) \ge 3 \, |\delta|$, where $|\delta|$ is the target table size. We prove this absolute floor is attained if and only if the target is isotopic to a group, and characterize the global minimizer as the regular representation of the underlying group (up to unitary gauge). This result resolves the central open conjecture of Huh (2025). This work serves as an existence proof that certain discrete algebraic structures can be exactly characterized by differentiable measures, enabling gradient-based discovery without the need for combinatorial search. All theoretical results are mechanically verified in Lean 4 and confirmed via small-scale experiments.
Authors: Alessio Borgi, Fabrizio Silvestri, Pietro Li\`o
Abstract: Sheaf Neural Networks equip graph structures with a cellular sheaf: a geometric structure which assigns local vector spaces (stalks) and a linear learnable restriction/transport maps to nodes and edges, yielding an edge-aware inductive bias that handles heterophily and limits oversmoothing. However, common Neural Sheaf Diffusion implementations rely on SVD-based sheaf normalization and dense per-edge restriction maps, which scale with stalk dimension, require frequent Laplacian rebuilds, and yield brittle gradients. To address these limitations, we introduce Polynomial Neural Sheaf Diffusion (PolyNSD), a new sheaf diffusion approach whose propagation operator is a degree-K polynomial in a normalised sheaf Laplacian, evaluated via a stable three-term recurrence on a spectrally rescaled operator. This provides an explicit K-hop receptive field in a single layer (independently of the stalk dimension), with a trainable spectral response obtained as a convex mixture of K+1 orthogonal polynomial basis responses. PolyNSD enforces stability via convex mixtures, spectral rescaling, and residual/gated paths, reaching new state-of-the-art results on both homophilic and heterophilic benchmarks, inverting the Neural Sheaf Diffusion trend by obtaining these results with just diagonal restriction maps, decoupling performance from large stalk dimension, while reducing runtime and memory requirements.
Authors: Yue Wang, Qizhou Wang, Zizhuo Zhang, Gang Niu, Bo Han, Masashi Sugiyama
Abstract: Preference optimization (PO) is indispensable for large language models (LLMs), with methods such as direct preference optimization (DPO) and proximal policy optimization (PPO) achieving great success. A common belief is that DPO is supervised learning while PPO is reinforcement learning, yet deeper analyses for the reasons underlying these differences remain lacking. To fill this gap, we analyze their optimization dynamics, revealing distinct algorithmic behaviors and comprehending their underlying causes. First, we examine the target directions of gradient-based updates and find that DPO follows stable targets, whereas PPO balances exploration and exploitation, validating the common belief yet from this new perspective. Second, we examine the roles of positive learning, negative learning, and loss reweighting, which are three key yet seldom discussed components within PO methods. Our analyses reveal that these components play fairly different roles. In DPO, positive and negative learning jointly shape the targets. However, loss reweighting in DPO acts less as a reward signal but more as a regularizer to mitigate overfitting. In PPO, negative learning primarily supports exploration rather than determining the targets. Meanwhile, loss reweighting, related to the absolute advantages, indicates the distinct roles of token groups in updating targets. Given these findings, we conduct carefully designed ablation studies to further examine how controlling these dynamics impacts optimization efficiency and practical performance. The insights gained from our analyses not only deepen the understanding of PO methods but also inspire the development of more preference-aligned LLMs.
Authors: Jehyeok Yeon, Federico Cinus, Yifan Wu, Luca Luceri
Abstract: Sparse autoencoders (SAEs) are increasingly used to extract activation directions for inference-time steering, but their standard sparsity objective treats latent features as independent. This prior can be poorly matched to high-level safety behaviors, where refusal and harmful compliance appear to depend on distributed structure in activation space. We introduce Graph-Regularized Sparse Autoencoders (GSAE), a dictionary-learning method that learns safety-steering directions by smoothing SAE decoder vectors over a neuron co-activation graph and applying the resulting direction bank through a two-gate runtime controller. Empirically, GSAE improves selective refusal across JailbreakBench, HarmBench, and XSTest, increasing harmful-request refusal while keeping benign-prompt refusals low. On Llama-3-8B, replacing the standard SAE with GSAE in an otherwise identical pipeline improves $\Delta_s$ by $20.1$ points on JailbreakBench and $16.8$ points on HarmBench. GSAE outperforms activation-steering baselines and black-box guardrails, preserves benign-task performance, generalizes across Llama-3, Mistral, Qwen 2.5, and Phi-4, and remains strong under black-box and gray-box jailbreak attacks.
Authors: Yongyu Wang
Abstract: Graph learning aims to convert data into graph representations, which are fundamental to many problems in machine learning for CAD, where circuits, layouts, designs, and optimization states are often modeled as graph-structured objects. Existing graph learning methods usually rely on carefully designed graph construction rules, extensive parameter tuning, and sophisticated mathematical theory; moreover, achieving good performance often requires task-specific graph construction tailored to the downstream objective. In this work, we study whether a large language model (LLM) can reason about graph structure and infer a useful topology without observing the feature matrix, without knowing the downstream task, and without relying on any carefully designed graph construction algorithm or parameter tuning process. To this end, we propose T2T-LA, a Topology-to-Topology LLM Agent that receives no input other than a set of previously failed topologies and the scores assigned to them by a private scorer. The agent is not told what task or algorithm produces the scores, how these topologies are generated, or what the scores mean. Since none of the observed topologies is satisfactory, T2T-LA cannot simply imitate a good example. Instead, it is forced to infer hidden relationships between graph connectivity patterns and the observed scores, a capability that is particularly relevant to CAD scenarios where useful design structures may be difficult to specify manually. Experimental results show that T2T-LA can generate, in one shot, a graph topology that enables the downstream algorithm to produce a sufficiently good solution, suggesting a new LLM-driven direction for topology reasoning and graph representation learning in ML-for-CAD workflows.
Authors: Yuzhu Chen, Tian Qin, Xinmei Tian, Fengxiang He, Dacheng Tao
Abstract: Equivariant neural networks encode the intrinsic symmetry of data as an inductive bias, which has achieved impressive performance in wide domains. However, the understanding to their expressive power remains premature. Focusing on 2-layer ReLU networks, this paper investigates the impact of enforcing equivariance constraints on the expressive power. By examining the boundary hyperplanes and the channel vectors, we constructively demonstrate that enforcing equivariance constraints could undermine the expressive power. Naturally, this drawback can be compensated for by enlarging the model size -- we further prove upper bounds on the required enlargement for compensation. Surprisingly, we show that the enlarged neural architectures have reduced hypothesis space dimensionality, implying even better generalizability.
Authors: Zijiang Yan, Yixiang Huang, Jianhua Pei, Hina Tabassum, Luca Chiaraviglio
Abstract: The rapid growth in wireless infrastructure has increased the need to accurately estimate and forecast electromagnetic field (EMF) levels to ensure ongoing compliance, assess potential health impacts, and support efficient network planning. While existing studies rely on univariate forecasting of wideband aggregate EMF data, frequency-selective multivariate forecasting is needed to capture the inter-operator and inter-frequency variations essential for proactive network planning. To this end, this paper introduces EMFusion, a conditional multivariate diffusion-based probabilistic forecasting framework that integrates diverse contextual factors, such as time of day, season, and holidays, while providing explicit uncertainty estimates. The proposed architecture features a residual U-Net backbone enhanced by a cross-attention mechanism that dynamically integrates external conditions to guide the generation process. Furthermore, EMFusion integrates an imputation-based sampling strategy that treats forecasting as a structural inpainting task, ensuring temporal coherence even with irregular measurements. Unlike standard point forecasters, EMFusion generates empirical probabilistic prediction intervals from the learned conditional distribution, providing uncertainty-aware probabilistic forecasting rather than simple point estimation. Numerical experiments conducted on frequency-selective EMF datasets demonstrate that EMFusion with the contextual information of working hours outperforms the baseline models with or without conditions. EMFusion outperforms the best baseline by 23.85% in continuous ranked probability score (CRPS), 13.93% in normalized root mean square error, and reduces prediction CRPS error by 22.47%.
Authors: Yuxuan Yin, Shengke Zhou, Yunjie Zhang, Ajay Mohindra, Boxun Xu, Peng Li
Abstract: Accurate prediction of resource consumption and runtime for cloud workflow jobs is critical for scheduling efficiency, yet remains challenging due to the semi-structured nature of job configurations -- comprising shell commands, tool-specific parameters, dependency graphs, and hierarchical metadata. Traditional ML approaches require brittle feature engineering to flatten this rich information into fixed-size vectors, losing critical semantic context. We present LASER, a framework that fine-tunes LLMs on serialized workflow job configurations for multi-target resource and runtime regression. To address the challenges of numerical regression via generation, we introduce scientific notation output encoding for targets spanning multiple orders of magnitude, and constrained decoding with prefix filling to enforce output validity while reducing inference latency by over 30%. We further show that full-attention fine-tuning improves accuracy over sliding-window LLMs on long job contexts. Validated on large-scale chip design workloads, and GHARuntime, a new public benchmark derived from 580,000+ GitHub Actions runs across 27,000+ repositories, LASER outperforms human experts and SOTA tabular ML baselines, with clear model- and data-scaling behavior, establishing a new paradigm for LLM-based regression on semi-structured workflow data.
Authors: Dung Anh Hoang, Cuong Pham, Cuong Nguyen, Trung le, Jianfei Cai, Thanh-Toan Do
Abstract: Large Language Models (LLMs) deliver strong performance across a wide range of NLP tasks, but their massive sizes hinder deployment on resource-constrained devices. To reduce their computational and memory burden, various compression techniques have been proposed, including quantization, pruning, and knowledge distillation. Among these, post-training quantization (PTQ) is widely adopted for its efficiency, as it requires no retraining and only a small dataset for calibration, enabling low-cost deployment. Recent advances for post-training quantization have demonstrated that even near 4-bit methods can maintain most of the original model performance. However, 1-bit quantization remains particularly challenging. A common strategy in 1-bit quantization is to determine binary weights by matching full-precision parameters, following a weight-driven criterion. However, this objective is not directly aligned with the quantized model's objective, which is to preserve the model's output behavior under the impact of quantization. A natural alternative is to adopt output-driven criteria that minimize discrepancies in model outputs using calibration data. Surprisingly, naive output-driven approaches often perform even worse in the 1-bit regime. In this paper, we show that this failure arises from two fundamental issues: error accumulation across layers and, more critically, \emph{anisotropic distortion} of the representation space. Based on these insights, we propose a novel PTQ method for 1-bit LLMs that explicitly addresses these issues while maintaining computational efficiency. Extensive experiments demonstrate that our approach consistently outperforms existing 1-bit PTQ methods.
Authors: Kadircan Aksoy, Protim Bhattacharjee, Peter Jung
Abstract: We study the training dynamics of neural classifiers through the lens of binary hypothesis testing. We re-formalize classification as a collection of binary tests between class-conditional distributions induced by learned representations and show empirically that, along training trajectories, well-generalizing networks progressively approach Neyman-Pearson optimal decision rules, as measured by monotonic growth in the KL divergence retained by learned representations. We provide sufficient conditions for exact optimality, discuss its implications for training regularization, and define an informational plane, (so-called Evidence-Error plane) where convergence can be assessed methodically across network architecture.
Authors: Anders Gj{\o}lbye, Ida Kargaard, Emma Kargaard, Lina Skerath, Lars Kai Hansen
Abstract: Partial Least Squares (PLS) learns shared structure from paired data via the top singular vectors of the empirical cross-covariance (PLS-SVD), but multimodal datasets often have missing entries in both views. We study PLS-SVD under independent entry-wise missing-completely-at-random masking in a proportional high-dimensional spiked model. After appropriate normalization, the masked cross-covariance behaves like a spiked rectangular random matrix whose effective signal strength is attenuated by $\sqrt{\rho}$, where $\rho$ is the joint entry retention probability. The replica-symmetric analysis predicts a sharp BBP-type phase transition: below a critical signal-to-noise threshold the leading singular vectors are asymptotically uninformative, while above it they achieve nontrivial alignment with the latent shared directions, with closed-form asymptotic overlap formulas. We also state a finite-rank extension as a conjecture, predicting that the same missingness-adjusted threshold applies componentwise when the latent spikes are separated. Simulations and semi-synthetic multimodal experiments agree with the predicted phase diagram and recovery curves across aspect ratios, signal strengths, and missingness levels.
Authors: Joshua Hang Sai Ip, Georgios Makrygiorgos, Ali Mesbah
Abstract: Bayesian Optimization (BO) is a principled framework for optimizing expensive black-box functions, with Expected Improvement (EI) among its most widely used acquisition functions. Despite its empirical success, EI is agnostic to first-order optimality conditions, relying solely on objective-value improvement. As a result, it can exhibit vanishing acquisition signals where the improvement criterion is uninformative, limiting its effectiveness in guiding search. We propose Expected Improvement via Gradient Norms (EI-GN), a novel acquisition function that extends the improvement principle to incorporate first-order stationarity, promoting sampling in regions that are both high-performing and close to stationary points. We derive a tractable closed-form expression for EI-GN and show that it remains consistent with the improvement-based acquisition framework. By embedding progress toward stationarity into the acquisition criterion, EI-GN provides a richer and more informative notion of improvement. Empirical results on standard BO benchmarks demonstrate consistent gains over baseline methods, and we further illustrate its applicability to control policy learning.
Authors: Jan Schuchardt, Nikita Kalinin
Abstract: We study privacy amplification for differentially private model training with matrix factorization under random allocation (also known as the balls-in-bins model). Recent work by Choquette-Choo et al. (2025) proposes a sampling-based Monte Carlo approach to compute amplification parameters in this setting. However, their guarantees either only hold with some high probability or require random abstention by the mechanism. Furthermore, the required number of samples for ensuring $(\epsilon,\delta)$-DP is inversely proportional to $\delta$. In contrast, we develop sampling-free bounds based on R\'enyi divergence and conditional composition. The former is facilitated by a dynamic programming formulation to efficiently compute the bounds. The latter complements it by offering stronger privacy guarantees for small $\epsilon$, where R\'enyi divergence bounds inherently lead to an over-approximation. Our framework applies to arbitrary banded and non-banded matrices. Through numerical comparisons, we demonstrate the efficacy of our approach across a broad range of matrix mechanisms used in research and practice.
Authors: Tien Dang, The-Hai Nguyen, Dinh Mai Phuong, Nguyen Minh Phuong, Anh Bui, Hoang Thanh-Tung, Le-Minh Nguyen, Naoya Inoue
Abstract: We consider Representation Misdirection (RM), a class of large language model (LLM) unlearning methods that achieve forgetting by redirecting the forget-representations, that is, latent representations of forget-samples, toward a target vector. Despite being important, the roles of the target vector used in RM, however, remain underexplored. Here, we approach and revisit RM through the lens of the Linear Representation Hypothesis. Specifically, if one can identify a one-dimensional representation corresponding to a high-level concept, the Linear Representation Hypothesis enables linear operations on this concept vector within the forget-representation space. Under this view, we hypothesize that, beyond forgetting, machine unlearning via RM elicits controllable emergent side behaviors and stronger side capabilities corresponding to the high-level concept. Our hypothesis is empirically validated across a wide range of tasks, including behavioral control (e.g., controlling unlearned models' truthfulness, sentiment, refusal, and language) and capability enhancement (e.g., improving unlearned models' in-context learning (ICL) capability). Our findings reveal that this phenomenon could be either a hidden risk if misused or a mechanism that can be harnessed for developing unlearned models that require stronger capabilities and controllable behaviors.
Authors: Joao Fonseca, Julia Stoyanovich
Abstract: Computing the importance of features in supervised classification tasks is critical for model interpretability. Shapley values are a widely used approach for explaining model predictions, but require direct access to the underlying model, an assumption frequently violated in real-world deployments. We investigate whether meaningful feature attributions can be obtained in a zero-shot setting, using only the input data distribution and no evaluations of the target model. Because multiple models can produce identical predictions yet yield different Shapley decompositions, the mapping from data to attributions is not uniquely identifiable. We therefore target attributions that are "true to the data" rather than "true to the model", learning a posterior mean attribution under a meta-training prior. To this end, we introduce ExplainerPFN, a tabular foundation model built on TabPFN, pretrained on synthetic structural causal datasets supervised with exact or near-exact Shapley values, that predicts feature attributions for unseen tabular datasets without model access, gradients, or example explanations. Our contributions are fourfold: (1) we show that few-shot surrogate explainers achieve high SHAP fidelity with as few as two reference observations; (2) we propose ExplainerPFN, the first zero-shot method for estimating Shapley-value-style feature attributions without access to the underlying model or reference explanations, providing a principled attribution where no existing explainer can be applied; (3) we release an open-source implementation including the full training pipeline and synthetic data generator; and (4) through extensive experiments on real and synthetic datasets, we show that ExplainerPFN achieves performance competitive with few-shot surrogate explainers that rely on 2-10 SHAP examples.
Authors: Yu Chen, Yuhao Liu, Jiatai Huang, Yihan Du, Longbo Huang
Abstract: We investigate episodic Markov Decision Processes with heavy-tailed losses (HTMDPs). Existing approaches for HTMDPs are conservative in stochastic environments and lack adaptivity in adversarial regimes. In this work, we propose algorithms HT-FTRL-OM and HT-FTRL-UOB for HTMDPs that achieve Best-of-Both-Worlds (BoBW) guarantees: instance-independent regret in adversarial environments and logarithmic instance-dependent regret in self-bounding (including the stochastic case) environments. For the known transition setting, HT-FTRL-OM applies the Follow-The-Regularized-Leader (FTRL) framework over occupancy measures with novel skipping loss estimators, achieving a $\widetilde{{O}}(T^{1/\alpha})$ regret bound in adversarial regimes and a ${O}(\log T)$ regret in stochastic regimes. Building upon this framework, we develop a novel algorithm HT-FTRL-UOB to tackle the more challenging unknown-transition setting. Under a mild truncative nonnegativity condition on the loss distributions, this algorithm employs a pessimistic skipping loss estimator and achieves a $\widetilde{{O}}(T^{1/\alpha} + \sqrt{T})$ regret in adversarial regimes and a ${O}(\log^2(T))$ regret in stochastic regimes. Our analysis overcomes key barriers through several technical insights, including a local control mechanism for heavy-tailed shifted losses, a new suboptimal-mass propagation principle, and a novel regret decomposition that isolates transition uncertainty from heavy-tailed estimation errors and skipping bias.
Authors: Yixuan Even Xu, John Kirchenbauer, Yash Savani, Asher Trockman, Alexander Robey, Tom Goldstein, Fei Fang, J. Zico Kolter
Abstract: Model distillation enables efficient emulation of frontier large language models (LLMs), creating a need for robust mechanisms to detect when a third-party student model has trained on a teacher model's outputs. However, existing fingerprinting techniques that could be used to detect such distillation rely on heuristic perturbations that impose a steep trade-off between generation quality and fingerprinting strength, often requiring significant degradation of utility to ensure the fingerprint is effectively internalized by the student. We introduce antidistillation fingerprinting (ADFP), a principled approach that aligns the fingerprinting objective with the student's learning dynamics. Building upon the gradient-based framework of antidistillation sampling, ADFP utilizes a proxy model to identify and sample tokens that directly maximize the expected detectability of the fingerprint in the student after fine-tuning, rather than relying on the incidental absorption of the un-targeted biases of a more naive watermark. Experiments on GSM8K, OASST1, and MBPP demonstrate that ADFP achieves a significant Pareto improvement over state-of-the-art baselines, yielding stronger detection confidence with minimal impact on utility across mathematical reasoning, dialogue, and code generation, even when the student model's architecture is unknown.
Authors: Nick Alonso, Tomas Figliolia, Beren Millidge
Abstract: Standard sequence mixing layers used in language models struggle to balance efficiency and performance. Self-attention performs well on long context tasks but has expensive quadratic compute and linear memory costs, while linear attention and SSMs use only linear compute and constant memory but struggle with long context processing. In this paper, we develop a sequence mixing layer that aims to find a better compromise between memory-compute costs and long-context processing, which we call online vector-quantized (OVQ) attention. OVQ-attention requires linear compute costs and constant memory, but, unlike linear attention and SSMs, it uses a sparse memory update that allows it to greatly increase the size of its memory state and, consequently, memory capacity. We develop a theoretical basis for OVQ-attention based on Gaussian mixture regression, and we test it on a variety of synthetic long context tasks and on long context language modeling. OVQ-attention shows significant improvements over linear attention baselines and the original VQ-attention, on which OVQ-attention was inspired. It demonstrates competitive, and sometimes identical, performance to strong self-attention baselines up 64k sequence length, despite using a small fraction of the memory of full self-attention.
Authors: Junyu Chen, Jungang Li, Jing Xiong, Wenjie Wang, Qingyao Yang, He Xiao, Zhen Li, Taiqiang Wu, Mengzhao Chen, Zhen Peng, Chaofan Tao, Long Shi, Hongxia Yang, Ngai Wong
Abstract: Large language model inference is often bounded by memory footprint and bandwidth in resource-constrained deployments, making quantization fundamental to efficient serving. While post-training quantization (PTQ) maintains high fidelity at 4-bit, it deteriorates at 2-3 bits. In essence, existing methods enforce a shape-invariant quantization grid (e.g., the fixed uniform intervals of UINT2) for each group, severely restricting the feasible set for error minimization. To address this, we propose Bit-Plane Decomposition Quantization (BPDQ), which constructs a variable quantization grid via bit-planes and scalar coefficients, and iteratively refines them using second-order information while progressively compensating for quantization errors to minimize output discrepancy. In the 2-bit regime, BPDQ enables serving Qwen2.5-72B on a single RTX 3090 with 83.85\% GSM8K accuracy (vs. 90.83\% at 16-bit). Moreover, we theoretically show that the variable grid expands the feasible set, and that the quantization process consistently aligns with the optimization objective in Hessian-induced geometry. The code is available at https://github.com/KingdalfGoodman/BPDQ.
Authors: Youngjae Cho, Jongsuk Kim, Ji-Hoon Kim
Abstract: Direct Preference Optimization (DPO) and related methods align large language models from pairwise preferences by regularizing updates against a fixed reference policy. As the policy drifts, a static reference, however, can become increasingly miscalibrated, leading to distributional mismatch and amplifying spurious preference signals under noisy supervision. Conversely, reference-free variants avoid mismatch but often suffer from unconstrained reward drift. We propose Geometric Anchor Preference Optimization (GAPO), which replaces the fixed reference with a dynamic, geometry-aware anchor: an adversarial local perturbation of the current policy within a small radius that serves as a pessimistic baseline. This anchor enables an adaptive reweighting mechanism, modulating the importance of each preference pair based on its local sensitivity. We further introduce the Anchor Gap, the reward discrepancy between the policy and its anchor, and show under smoothness conditions that it approximates worst-case local margin degradation. Optimizing a logistic objective weighted by this gap downweights geometrically brittle instances while emphasizing robust preference signals. Across diverse noise settings, GAPO consistently improves robustness while matching or improving performance on standard LLM alignment and reasoning benchmarks.
Authors: Adam Barla, Emanuele Nevali, Luca Viano, Volkan Cevher
Abstract: We introduce PEPO (Pessimistic Ensemble based Preference Optimization), a single-step Direct Preference Optimization (DPO)-like algorithm to mitigate the well-known over-optimization issue in preference learning without requiring the knowledge of the data-generating distribution or learning an explicit reward model. PEPO achieves pessimism via an ensemble of preference-optimized policies trained on disjoint data subsets and then aggregates them through a worst case construction that favors the agreement across models. In the tabular setting, PEPO achieves sample complexity guarantees depending only on a single-policy concentrability coefficient, thus avoiding the all-policy concentrability which affects the guarantees of algorithms prone to over-optimization, such as DPO. The theoretical findings are corroborated by a convincing practical performance, while retaining the simplicity and the practicality of DPO-style training.
Authors: Junxiong Wang, Fengxiang Bie, Jisen Li, Zhongzhu Zhou, Zelei Shao, Yubo Wang, Yinghui Liu, Qingyang Wu, Avner May, Sri Yanamandra, Ce Zhang, Tri Dao, Percy Liang, Ben Athiwaratkun, Shuaiwen Leon Song, Chenfeng Xu, Xiaoxia Wu
Abstract: Speculative decoding can significantly accelerate LLM serving, yet most deployments today disentangle speculator training from serving, treating speculator training as a standalone offline modeling problem. We show that this decoupled formulation introduces substantial deployment and adaptation lag: (1) high time-to-serve, since a speculator must be trained offline for a considerable period before deployment; (2) delayed utility feedback, since the true end-to-end decoding speedup is only known after training and cannot be inferred reliably from acceptance rate alone due to model-architecture and system-level overheads; and (3) domain-drift degradation, as the target model is repurposed to new domains and the speculator becomes stale and less effective. To address these issues, we present Aurora, a unified training-serving system that closes the loop by continuously learning a speculator directly from live inference traces. Aurora reframes online speculator learning as an asynchronous reinforcement-learning problem: accepted tokens provide positive feedback, while rejected speculator proposals provide implicit negative feedback that we exploit to improve sample efficiency. Our design integrates an SGLang-based inference server with an asynchronous training server, enabling hot-swapped speculator updates without service interruption. Crucially, Aurora supports day-0 deployment: a speculator can be served immediately and rapidly adapted to live traffic, improving system performance while providing immediate utility feedback. Across experiments, Aurora achieves a 1.5x day-0 speedup on recently released frontier models (e.g., MiniMax M2.1 229B and Qwen3-Coder-Next 80B). Aurora also adapts effectively to distribution shifts in user traffic, delivering an additional 1.25x speedup over a well-trained but static speculator on widely used models (e.g., Qwen3 and Llama3).
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: Yuchong Zhang, Vardan Papyan
Abstract: Transformers update token representations through multi-head attention and residual connections as $X \leftarrow X + \sum_{i} P^{(i)}XW_{V_i}W_{o_i}$, where $P^{(i)}$ is the softmax attention matrix in head $i$. We propose replacing a subset of $P^{(i)}$'s with the Laplacian $I - P^{(i)}$, giving $X \leftarrow X + \sum_{i \in \mathcal{A}} P^{(i)}XW_{V_i}W_{o_i} + \sum_{i \in \mathcal{L}} (I - P^{(i)})XW_{V_i}W_{o_i}$. Our proposal has two motivations. First, it allows attention heads to update the mean of token representations, while Laplacian heads can directly control within-sequence variance. Second, if tokens are viewed as nodes in a graph with edge weights $P^{(i)}$, then $I - P^{(i)}$ is the corresponding graph Laplacian, and the update can be interpreted as one step of heat diffusion on the graph. We show that this simple modification improves performance across supervised learning, language modeling, and self-supervised learning tasks. To investigate why, we examine the token representations learned with and without Laplacian heads. In supervised learning, Laplacian heads collapse token representations within the same sequence and align the sequence means with the geometry of Neural Collapse. In language modeling, they increase the separability of token representations that share the same next-token prediction. In self-supervised learning, they produce token representations whose principal components are better suited for segmentation. Across modalities, they also lead to faster-decaying spectra, indicating stronger token smoothing. Overall, our findings challenge the prevailing view that token oversmoothing is inherently harmful, showing instead that certain forms of smoothing can be beneficial.
Authors: Pedram Bakhtiarifard, Tong Chen, Jonathan Wensh{\o}j, Erik B Dam, Raghavendra Selvan
Abstract: Large-scale deep learning models are well-suited for compression. Across a variety of tasks, methods like pruning, quantization, and knowledge distillation have been used to achieve massive reductions in model parameters with only marginal performance drops. This raises the central question: *Why are deep neural networks suited for compression?* In this work, we take up the perspective of algorithmic complexity to explain this behavior. We hypothesize that the parameters of trained models have more structure and, hence, exhibit lower algorithmic complexity compared to the weights at (random) initialization. Furthermore, model compression methods harness this reduced algorithmic complexity to compress models. Although an unconstrained parameterization of model weights, $\mathbf{w} \in \mathbb{R}^n$, can represent arbitrary weight assignments, the solutions found during training exhibit repeatability and structure, making them simpler to implement than a trivial program. To this end, we formalize the Kolmogorov complexity of $\mathbf{w}$ by $\mathcal{K}(\mathbf{w})$. We introduce a constrained parameterization $\widehat{\mathbf{w}}$ that partitions parameters into blocks of size $s$ and restricts each block to be selected from a set of $k$ reusable motifs, specified by a reuse pattern (or mosaic). The resulting method, $\mathit{Mosaic\text{-}of\text{-}Motifs}$ (MoMos), provides a theoretically justified parameterization that biases optimization toward algorithmically simpler solutions. Empirical evidence from multiple experiments shows that MoMos consistently lowers the algorithmic complexity of neural networks during training while preserving the performance of unconstrained models. These results suggest that parameter compressibility is not only observed after training, but can be induced from the optimization domain.
Authors: Rahul Singh, Siddharth Chandak, Eric Moulines, Vivek S. Borkar, Nicholas Bambos
Abstract: We present the first regret bound for classical online Q-learning in infinite-horizon discounted Markov decision processes (MDPs), without relying on optimism or bonus terms. We first analyze Boltzmann Q-learning with decaying temperature and show that its regret depends critically on the suboptimality gap of the MDP: for sufficiently large gaps, the regret is sublinear, while for small gaps it deteriorates and can approach linear growth. To address this limitation, we study a Smoothed $\epsilon_n$-Greedy exploration scheme that combines $\epsilon_n$-greedy and Boltzmann exploration, for which we prove a gap-robust regret bound of near-$\tilde{O}(N^{9/10})$. We also obtain sample complexity guarantees, with both regret and sample complexity bounds holding with high probability. To analyze these algorithms, we develop a high-probability concentration bound for contractive Markovian stochastic approximation with iterate- and time-dependent transition dynamics. This bound may be of independent interest as the contraction factor in our framework is allowed to converge to one asymptotically.
Authors: Oran Ridel, Alon Cohen
Abstract: We study reward-free and reward-agnostic exploration in episodic finite-horizon Markov decision processes (MDPs), where an agent explores an unknown environment without observing external rewards. Reward-free exploration aims to enable $\epsilon$-optimal policies for any reward revealed after exploration, while reward-agnostic exploration targets $\epsilon$-optimality for rewards drawn from a small finite class. In the reward-agnostic setting, Li, Yan, Chen, and Fan achieve minimax sample complexity, but only for restrictively small accuracy parameter $\epsilon$. We propose a new algorithm that significantly relaxes the requirement on $\epsilon$. Our approach is novel and of technical interest by itself. Our algorithm employs an online learning procedure with carefully designed rewards to construct an exploration policy, which is used to gather data sufficient for accurate dynamics estimation and subsequent computation of an $\epsilon$-optimal policy once the reward is revealed. Finally, we establish a tight lower bound for reward-free exploration, closing the gap between known upper and lower bounds.
Authors: Ziliang Zhao, Bi Xue, Emma Lin, Tianqi Lu, Mengjiao Zhou, Kaustubh Vartak, Shakhzod Ali-Zade, Tao Li, Bin Kuang, Rui Jian, Bin Wen, Dennis van der Staay, Yixin Bao, Eddy Li, Chao Deng, Henry Wei, Songbin Liu, Qifan Wang, Kai Ren
Abstract: Embedding tables are critical components of large-scale recommendation systems, facilitating the efficient mapping of high-cardinality categorical features into dense vector representations. However, as the volume of unique IDs expands, traditional hash-based indexing methods suffer from collisions that degrade model performance and personalization quality. We present Multi-Probe Zero Collision Hash (MPZCH), a novel indexing mechanism based on linear probing that effectively mitigates embedding collisions. With reasonable table sizing, it often eliminates these collisions entirely while maintaining production-scale efficiency. MPZCH utilizes auxiliary tensors and high-performance CUDA kernels to implement configurable probing and active eviction policies. By retiring obsolete IDs and resetting reassigned slots, MPZCH prevents the stale embedding inheritance typical of hash-based methods, ensuring new features learn effectively from scratch. Despite its collision-mitigation overhead, the system maintains training QPS and inference latency comparable to existing methods. Rigorous online experiments demonstrate that MPZCH achieves zero collisions for user embeddings and significantly improves item embedding freshness and quality. The solution has been released within the open-source TorchRec library for the broader community.
Authors: Gabriel Mongaras, Eric C. Larson
Abstract: Linear attention transformers have become a strong alternative to softmax attention due to their efficiency. However, linear attention tends to be less expressive and results in reduced accuracy compared to softmax attention. To bridge the accuracy gap between softmax attention and linear attention, we manipulate Mamba-2, a very strong linear attention variant. We first simplify Mamba-2 down to its most fundamental and important components, evaluating which specific choices make it most accurate. From this simplified Mamba variant (Mamba-2S), we improve the A-mask and increase the order of the hidden state, resulting in a method, which we call 2Mamba, that is nearly as accurate as softmax attention, yet much more memory efficient for long context lengths. We also investigate elements to Mamba-2 that help surpass softmax attention accuracy. Code is provided for all our experiments.
Authors: Jiayi Li, Penghao Jiang, Hira Saleem, Zhaonan Wang, Piotr Koniusz, Flora D. Salim
Abstract: Autoregressive neural PDE surrogates predict future states by repeatedly applying a learned one-step operator. This is a simple and widely used method, but small one-step errors can accumulate during long rollouts. The resulting drift often appears as spectral amplitude distortion, phase misalignment, and nonlinear mode-interaction error. These effects are especially important for time-dependent PDEs with clear Fourier structure. We introduce the Spectral Generator Neural Operator (SGNO), a structured autoregressive neural operator for long-horizon PDE forecasting. SGNO organizes each learned one-step map as a structured spectral evolution update. A real-valued nonpositive diagonal generator provides a gain-controlled spectral backbone, while a learned correction pathway with complex-valued spectral mixing completes the residual evolution. This design gives the autoregressive step an evolution-like structure while retaining the flexibility needed for dissipative, dispersive, transport-dominated, and nonlinear PDEs. SGNO is designed for periodic linear and semilinear evolution PDEs with Fourier multiplier linear dynamics. Across ten mechanism-matched APEBench tasks spanning this regime, SGNO consistently outperforms strong single-step autoregressive baselines in long-horizon rollout accuracy, reducing GMean100 by a median of 74.8% relative to the strongest available non-SGNO baseline, with per-task reductions ranging from 13.6% to 92.9%. The gains are strongest on dispersive and transport-dominated tasks, as well as tasks involving nonlinear closure and mode coupling. Spectral diagnostics show lower spectral energy error and improved rollout-level phase fidelity. Ablations show that the constrained generator, the structured update, and the learned correction pathway each contribute to performance. The code is available at https://github.com/cruiseresearchgroup/SGNO.
Authors: Shrestha Datta, Hongfu Liu, Anshuman Chhabra
Abstract: Knowledge editing in Large Language Models (LLMs) aims to update the model's prediction for a specific query to a desired target while preserving its behavior on all other inputs. This process typically involves two stages: identifying the layer to edit and performing the parameter update. Intuitively, different queries may localize knowledge at different depths of the model, resulting in different sample-wise editing performance for a fixed editing layer. In this work, we hypothesize the existence of fixed golden layers that can achieve near-optimal editing performance similar to sample-wise optimal layers. To validate this hypothesis, we provide empirical evidence by comparing golden layers against ground-truth sample-wise optimal layers. Furthermore, we show that golden layers can be reliably identified using a proxy dataset and generalize effectively to unseen test set queries across datasets. Finally, we propose a novel method, namely Layer Gradient Analysis (LGA) that estimates golden layers efficiently via gradient-attribution, avoiding extensive trial-and-error across multiple editing runs. Extensive experiments on several benchmark datasets demonstrate the effectiveness and robustness of our LGA approach across different LLM types and various knowledge editing methods.
Authors: Michael Poppel, Markus Baumann, Sebastian W\"olckert, Claudia Linnhoff-Popien, Jonas Stein
Abstract: Angle-encoded variational quantum circuits admit a truncated Fourier series representation of their output, but approximating functions with maximum frequency $\omega_{\max}$ using fixed unary encoding requires $\mathcal{O}(\omega_{\max})$ encoding gates. Trainable-frequency (TF) circuits promise a reduction by learning the data-encoding prefactors alongside the ansatz parameters, adapting the accessible frequency spectrum to the target during training. We identify a practical barrier that prevents this promise from being realized: the prefactor gradient is suppressed by the spectral gap between the circuit's accessible frequencies and the target spectrum, independently of the ansatz parameters, confining gradient-driven prefactor movement to a narrow neighborhood of initialization. We propose \emph{ternary grid initialization} -- setting prefactors to $\{1, 3, 9, \ldots, 3^{k-1}\}$ -- which resolves this limitation by ensuring every target frequency within $[-\omega_{\max}, \omega_{\max}]$ lies within $\tfrac{1}{2}$ unit of a grid point at initialization, removing the spectral gap suppression by construction. On a synthetic benchmark with target frequencies shifted well beyond the standard initialization range, ternary initialization achieves median $R^2 = 0.997$ versus $0.18$ for unary initialization, with $100\%$ of runs achieving $R^2 > 0.95$ against $0\%$. CMA-ES with $20\times$ the evaluation budget reaches only $25\%$ success, confirming the limitation is a property of the optimization landscape rather than of gradient-based optimization specifically. Real-world validation on two benchmark datasets demonstrates consistent advantages over both fixed and trainable unary baselines.
Authors: Hanning Guo, Hanwen Bi, Farah Abdellatif, Andrei Galbenus, Jon. N. Shah, Abigail Morrison, J\"urgen Dammers
Abstract: Brain foundation models have achieved remarkable advances across a wide range of neuroscience tasks. However, most existing models are limited to a single functional modality, restricting their ability to exploit complementary spatiotemporal dynamics and the collective data scale across different neuroimaging techniques. This limitation largely arises from severe semantic heterogeneity and resolution discrepancies among modalities. To address these challenges, we propose Brain-OF, an omnifunctional brain foundation model jointly pretrained on fMRI, EEG and MEG, capable of handling both unimodal and multimodal inputs within a unified framework. To reconcile heterogeneous spatiotemporal resolutions, we introduce the Any-Resolution Neural Signal Sampler, which projects diverse brain signals into a shared semantic space. To further manage semantic shifts, the Brain-OF backbone integrates DINT attention with a Sparse Mixture of Experts, where shared experts capture modality-invariant representations and routed experts specialize in modality-specific semantics. Furthermore, to explicitly internalize the characteristics of neural activity through self-supervised learning, we propose Masked Temporal-Frequency Modeling, a dual-domain pretraining objective that jointly reconstructs brain signals in both the time and frequency domains. Brain-OF is pretrained on a large-scale corpus comprising around 40 datasets and demonstrates superior performance across diverse downstream tasks, highlighting the benefits of joint multimodal integration and dual-domain pretraining.
Authors: Asiri Wijesinghe, Sevvandi Kandanaarachchi, Daniel M. Steinberg, Cheng Soon Ong
Abstract: We study generative modeling of graphs with recurring subgraph motifs. We propose Flowette, a continuous flow matching framework that employs a graph neural network-based transformer to learn a velocity field over graph representations with node and edge attributes. Our model promotes topology-aware alignment through optimal transport-based coupling and encourages global structural coherence through regularisation. To incorporate domain-driven structural priors, we introduce graphettes, a new probabilistic family of graph structure models that generalize graphons via controlled structural edits for motifs such as rings, stars, and trees. We theoretically analyze the coupling, invariance, and structural properties of the framework, evaluate it on synthetic and molecular benchmarks, and isolate the contributions of the structural prior, the optimal-transport coupling, and the regularisation terms through controlled ablations. Flowette achieves competitive performance overall, attaining state-of-the-art results on several metrics across multiple benchmarks, highlighting the effectiveness of combining structural priors with flow-based training for modeling complex graph distributions.
Authors: Mohammad Al Ridhawi, Mahtab Haj Ali, Hussein Al Osman
Abstract: Stock market prediction presents considerable challenges for investors, financial institutions, and policymakers operating in complex market environments characterized by noise, non-stationarity, and behavioral dynamics. Traditional forecasting methods, including fundamental analysis and technical indicators, often fail to capture the intricate patterns and cross-sectional dependencies inherent in financial markets. This paper presents an integrated framework combining a node transformer architecture with BERT-based sentiment analysis for stock price forecasting. The proposed model represents the stock market as a graph structure where individual stocks form nodes and edges capture relationships including sectoral affiliations, correlated price movements, and supply chain connections. A fine-tuned BERT model extracts sentiment information from social media posts and combines it with quantitative market features through attention-based fusion mechanisms. The node transformer processes historical market data while capturing both temporal evolution and cross-sectional dependencies among stocks. Experiments conducted on 20 S&P 500 stocks spanning January 1982 to March 2025 demonstrate that the integrated model achieves a mean absolute percentage error (MAPE) of 0.80% for one-day-ahead predictions, compared to 1.20% for ARIMA and 1.00% for LSTM. The inclusion of sentiment analysis reduces prediction error by 10% overall and 25% during earnings announcements, while the graph-based architecture contributes an additional 15% improvement by capturing inter-stock dependencies. Directional accuracy reaches 65% for one-day forecasts. Statistical validation through paired t-tests confirms the significance of these improvements (p < 0.05 for all comparisons). The model maintains lower error during high-volatility periods, achieving MAPE of 1.50% while baseline models range from 1.60% to 2.10%.
Authors: Chieh-Hsin Lai, Bac Nguyen, Naoki Murata, Yuhta Takida, Toshimitsu Uesaka, Yuki Mitsufuji, Stefano Ermon, Molei Tao
Abstract: Drifting models train one-step generators by optimizing a kernel-induced mean-shift discrepancy between the data and model distributions, with Laplace kernels used by default in practice. At each point, this discrepancy compares the kernel-weighted displacement toward nearby data samples with the corresponding displacement toward nearby model samples, thereby defining a transport direction for generated samples. In this paper, we show that drifting is more closely connected to score-based generative modeling than it may first appear, establishing a precise link to the score-matching principle underlying diffusion models. For Gaussian kernels, the population mean-shift field exactly equals the difference between the scores (i.e., the gradient-log-densities) of the Gaussian-smoothed data and model distributions. This identity follows from Tweedie's formula, which links the score of a Gaussian-smoothed density to its conditional mean, and implies that Gaussian-kernel drifting is exactly a score-matching objective on smoothed distributions. More generally, we derive an exact decomposition for radial kernels in which mean shift equals a score-based field plus a residual term. For the practical Laplace kernel, we further show theoretically and empirically that this residual is negligible in high dimension, implying that the transport field used in practice is nearly score-based. Our results reveal a structural connection to diffusion models: both methods use score-mismatch transport directions, but drifting realizes the score nonparametrically through kernel-based estimates, whereas diffusion models learn it parametrically with neural networks.
Authors: Ahmad Bdeir, Johannes Burchert, Tom Hanika, Lars Schmidt-Thieme, Niels Landwehr
Abstract: Electroencephalogram (EEG) classification plays a key role in medical diagnosis and brain-computer interfaces, but remains challenging due to low signal-to-noise ratios and high inter-subject variability. As a result, many existing approaches rely on subject-specific models, which fail to exploit shared structure in neural signals and do not generalize to unseen subjects. To address these limitations, we propose LAtte, a framework that combines Lorentz attention with a hyperbolic InceptionTime-based encoder to improve cross-subject generalization in EEG classification. The model explicitly decomposes EEG signals into a learned baseline component and task-relevant deviations, enabling more structured representation learning. To further improve robustness and adaptability, we incorporate subject-specific low-rank adaptation (LoRA) modules at both encoder and decoder levels, augmented with a Lorentz boost-based LoRA mechanism and hyperbolic projection layers to reduce overfitting in geometric representations. We evaluate LAtte with and without finetuning in three settings: subject-specific, subject-conditional, and leave-one-subject-out (LOSO) on five established EEG datasets, achieving a consistent improvement in performance over current state-of-the-art methods for smaller datasets and maintaining performance for larger datasets.
Authors: Yifan Zhang, Liang Zheng
Abstract: Bus holding control is challenging due to stochastic traffic and passenger demand. While deep reinforcement learning (DRL) shows promise, standard actor-critic algorithms suffer from Q-value instability in volatile environments. A key source of this instability is the conflation of two distinct uncertainties: aleatoric uncertainty (irreducible noise) and epistemic uncertainty (data insufficiency). Treating these as a single risk leads to value underestimation in noisy states, causing catastrophic policy collapse. We propose a robust ensemble soft actor-critic (RE-SAC) framework to explicitly disentangle these uncertainties. RE-SAC applies Integral Probability Metric (IPM)-based weight regularization to the critic network to hedge against aleatoric risk, providing a smooth analytical lower bound for the robust Bellman operator without expensive inner-loop perturbations. To address epistemic risk, a diversified Q-ensemble penalizes overconfident value estimates in sparsely covered regions. This dual mechanism prevents the ensemble variance from misidentifying noise as a data gap, a failure mode identified in our ablation study. Experiments in a realistic bidirectional bus corridor simulation demonstrate that RE-SAC achieves the highest cumulative reward (approx. -0.4e6) compared to vanilla SAC (-0.55e6). Mahalanobis rareness analysis confirms that RE-SAC reduces Oracle Q-value estimation error by up to 62% in rare out-of-distribution states (MAE of 1647 vs. 4343), demonstrating superior robustness under high traffic variability.
Authors: Uzay Macar, Li Yang, Atticus Wang, Peter Wallich, Emmanuel Ameisen, Jack Lindsey
Abstract: Recent work has shown that LLMs can sometimes detect when steering vectors are injected into their residual stream and identify the injected concept -- a phenomenon termed "introspective awareness." We investigate the mechanisms underlying this capability in open-weights models. First, we find that it is behaviorally robust: models detect injected steering vectors at moderate rates with 0% false positives across diverse prompts and dialogue formats. Notably, this capability emerges specifically from post-training; we show that preference optimization algorithms like DPO can elicit it, but standard supervised finetuning does not. We provide evidence that detection cannot be explained by simple linear association between certain steering vectors and directions promoting affirmative responses. We trace the detection mechanism to a two-stage circuit in which "evidence carrier" features in early post-injection layers detect perturbations monotonically along diverse directions, suppressing downstream "gate" features that implement a default negative response. This circuit is absent in base models and robust to refusal ablation. Identification of injected concepts relies on largely distinct later-layer mechanisms that only weakly overlap with those involved in detection. Finally, we show that introspective capability is substantially underelicited: ablating refusal directions improves detection by +53%, and a trained bias vector improves it by +75% on held-out concepts, both without meaningfully increasing false positives. Our results suggest that this introspective awareness of injected concepts is robust and mechanistically nontrivial, and could be substantially amplified in future models. Code: https://github.com/safety-research/introspection-mechanisms.
URLs: https://github.com/safety-research/introspection-mechanisms.
Authors: Zhengxi Lu, Zhiyuan Yao, Jinyang Wu, Chengcheng Han, Qi Gu, Xunliang Cai, Weiming Lu, Jun Xiao, Yueting Zhuang, Yongliang Shen
Abstract: Agent skills, structured packages of procedural knowledge and executable resources that agents dynamically load at inference time, have become a reliable mechanism for augmenting LLM agents. Yet inference-time skill augmentation is fundamentally limited: retrieval noise introduces irrelevant guidance, injected skill content imposes substantial token overhead, and the model never truly acquires the knowledge it merely follows. We ask whether skills can instead be internalized into model parameters, enabling zero-shot autonomous behavior without any runtime skill retrieval. We introduce SKILL0, an in-context reinforcement learning framework designed for skill internalization. SKILL0 introduces a training-time curriculum that begins with full skill context and progressively withdraws it. Skills are grouped offline by category and rendered with interaction history into a compact visual context, teaching he model tool invocation and multi-turn task completion. A Dynamic Curriculum then evaluates each skill file's on-policy helpfulness, retaining only those from which the current policy still benefits within a linearly decaying budget, until the agent operates in a fully zero-shot setting. Extensive agentic experiments demonstrate that SKILL0 achieves substantial improvements over the standard RL baseline (+9.7\% for ALFWorld, +6.6\% for Search-QA, and+10.1\% for WebShop), while maintaining a highly efficient context of fewer than 0.5k tokens per step. Our code is available at https://github.com/ZJU-REAL/SkillZero.
Authors: Donghu Kim, Youngdo Lee, Minho Park, Kinam Kim, I Made Aswin Nahendra, Takuma Seno, Sehee Min, Daniel Palenicek, Florian Vogt, Danica Kragic, Jan Peters, Jaegul Choo, Hojoon Lee
Abstract: Reinforcement learning (RL) is a core approach for robot control when expert demonstrations are unavailable. On-policy methods such as Proximal Policy Optimization (PPO) are widely used for their stability, but their reliance on narrowly distributed on-policy data limits accurate policy evaluation in high-dimensional state and action spaces. Off-policy methods can overcome this limitation by learning from a broader state-action distribution, yet suffer from slow convergence and instability, as fitting a value function over diverse data requires many gradient updates, causing critic errors to accumulate through bootstrapping. We present FlashSAC, a fast and stable off-policy RL algorithm built on Soft Actor-Critic. Motivated by scaling laws observed in supervised learning, FlashSAC sharply reduces gradient updates while compensating with larger models and higher data throughput. To maintain stability at increased scale, FlashSAC explicitly bounds weight, feature, and gradient norms, curbing critic error accumulation. Across over 60 tasks in 10 simulators, FlashSAC consistently outperforms PPO and strong off-policy baselines in both final performance and training efficiency, with the largest gains on high-dimensional tasks such as dexterous manipulation. In sim-to-real humanoid locomotion, FlashSAC reduces training time from hours to minutes, demonstrating the promise of off-policy RL for sim-to-real transfer.
Authors: Zigeng Chen, Gongfan Fang, Xinyin Ma, Ruonan Yu, Xinchao Wang
Abstract: We present DMax, a new paradigm for efficient diffusion language models (dLLMs). It mitigates error accumulation in parallel decoding, enabling aggressive decoding parallelism while preserving generation quality. Unlike conventional masked dLLMs that decode through a binary mask-to-token transition, DMax reformulates decoding as a progressive self-refinement from mask embeddings to token embeddings. At the core of our approach is On-Policy Uniform Training, a novel training strategy that efficiently unifies masked and uniform dLLMs, equipping the model to recover clean tokens from both masked inputs and its own erroneous predictions. Building on this foundation, we further propose Soft Parallel Decoding. We represent each intermediate decoding state as an interpolation between the predicted token embedding and the mask embedding, enabling iterative self-revising in embedding space. Extensive experiments across a variety of benchmarks demonstrate the effectiveness of DMax. Compared with the original LLaDA-2.0-mini, our method improves TPF on GSM8K from 2.04 to 5.47 while preserving accuracy. On MBPP, it increases TPF from 2.71 to 5.86 while maintaining comparable performance. On two H200 GPUs, our model achieves an average of 1,338 TPS at batch size 1. Code is available at: https://github.com/czg1225/DMax
Authors: Andrey Bocharnikov, Ivan Ermakov, Denis Kuznedelev, Vyacheslav Zhdanovskiy, Yegor Yershov
Abstract: With the growing demand for long-context LLMs across a wide range of applications, the key-value (KV) cache has become a critical bottleneck for both latency and memory usage. Recently, KV-cache offloading has emerged as a promising approach to reduce memory footprint and inference latency while preserving accuracy. Prior evaluations have largely focused on tasks that do not require extracting large amounts of information from the context. In this work, we study KV-cache offloading on context-intensive tasks: problems where the solution requires looking up a lot of information from the input prompt. We create and release the Text2JSON benchmark, a highly context-intensive task that requires extracting structured knowledge from raw text. We evaluate modern KV offloading on Text2JSON and other context-intensive tasks and find significant performance degradation on both Llama 3 and Qwen 3 models. Our analysis identifies two key reasons for poor accuracy: low-rank projection of keys and unreliable landmarks, and proposes a simpler alternative strategy that significantly improves accuracy across multiple LLM families and benchmarks. These findings highlight the need for a comprehensive and rigorous evaluation of long-context compression techniques.
Authors: Erchi Wang, Pengrun Huang, Eli Chien, Om Thakkar, Kamalika Chaudhuri, Yu-Xiang Wang, Ruihan Wu
Abstract: Differential privacy (DP) has a wide range of applications for protecting data privacy, but designing and verifying DP algorithms requires expert-level reasoning, creating a high barrier for non-expert practitioners. Prior works either rely on specialized verification languages that demand substantial domain expertise or remain semi-automated and require human-in-the-loop guidance. In this work, we investigate whether large language models (LLMs) can automate DP reasoning. We introduce DPrivBench, a benchmark in which each instance asks whether a function or algorithm satisfies a stated DP guarantee under specified assumptions. The benchmark is carefully designed to cover a broad range of DP topics, span diverse difficulty levels, and resist shortcut reasoning through trivial pattern matching. Experiments show that while the strongest models handle textbook mechanisms well, all models struggle with advanced algorithms, revealing substantial gaps in current DP reasoning capabilities. Through further analytic study and failure-mode analysis, we identify several promising directions for improving automated DP reasoning. Our benchmark provides a solid foundation for developing and evaluating such methods, and complements existing benchmarks for mathematical reasoning.
Authors: Dmitry Zaytsev, Valentina Kuskova, Michael Coppedge
Abstract: Failures in complex systems often emerge through gradual degradation and the propagation of stress across interacting components rather than through isolated shocks. Democratic systems exhibit similar dynamics, where weakening institutions can trigger cascading deterioration in related institutional structures. Traditional reliability and survival models typically estimate failure risk based on the current system state but do not explicitly capture how degradation propagates through institutional networks over time. This paper introduces a trajectory-aware reliability modeling framework based on Dynamic Causal Neural Autoregression (DCNAR). The framework first estimates a causal interaction structure among institutional indicators and then models their joint temporal evolution to generate forward trajectories of system states. Failure risk is defined as the probability that predicted trajectories cross predefined degradation thresholds within a fixed horizon. Using longitudinal institutional indicators, we compare DCNAR-based trajectory risk models with discrete-time hazard and Cox proportional hazards models. Results show that trajectory-aware modeling consistently outperforms Cox models and improves risk prediction for several propagation-driven institutional failures. These findings highlight the importance of modeling dynamic system interactions for reliability analysis and early detection of systemic degradation.
Authors: Zhaokun Wang, Jinyu Guo, Jingwen Pu, Hongli Pu, Meng Yang, Xunlei Chen, Jie Ou, Wenyi Li, Guangchun Luo, Wenhong Tian
Abstract: Large language models (LLMs) trained on unfiltered corpora inherently risk retaining sensitive information, necessitating selective knowledge unlearning for regulatory compliance and ethical safety. However, existing parameter-modifying methods face fundamental limitations: high computational costs, uncontrollable forgetting boundaries, and strict dependency on model weight access. These constraints render them impractical for closed-source models, yet current non-invasive alternatives remain unsystematic and reliant on empirical experience. To address these challenges, we propose the Controllable Alignment Prompting for Unlearning (CAP) framework, an end-to-end prompt-driven unlearning paradigm. CAP decouples unlearning into a learnable prompt optimization process via reinforcement learning, where a prompt generator collaborates with the LLM to suppress target knowledge while preserving general capabilities selectively. This approach enables reversible knowledge restoration through prompt revocation. Extensive experiments demonstrate that CAP achieves precise, controllable unlearning without updating model parameters, establishing a dynamic alignment mechanism that overcomes the transferability limitations of prior methods.
Authors: Jinjiang Guo
Abstract: The rapid growth of molecular foundation models and large language models has encouraged a scale centred view of AI in drug discovery, in which larger pretrained models are expected to supersede compact cheminformatics models and graph neural networks (GNNs) trained for individual tasks. We test this assumption across 26 endpoints for molecular properties, toxicity, safety liabilities and biological activity, grouped into ADME, toxicity and bioactivity classes. The benchmark contains 78 endpoint and split entries spanning random, Murcko scaffold and structure separated 5-fold CV. Ordered from easiest to hardest, these splits approximate retrospective evaluation on a closed library, scaffold expansion in hit to lead, and library expansion on novel chemotypes. Each entry includes ML, GNN, pretrained molecular sequence and LLM based SAR families. Across 156 fold mean comparisons, classical ML such as RF(ECFP4) and ExtraTrees(RDKit) win 116, GNNs such as GIN and Ligandformer win 25, pretrained sequence models such as MoLFormer and ChemBERTa2 win 12, and LLM based SAR baselines win three. ML dominates random split interpolation but loses part of this advantage under harder splits; GNN and sequence models also decline but gain relative ground, whereas LLM based SAR is weaker in absolute terms yet less sensitive to the split axis. Paired bootstrap analyses support family level trends more strongly than individual model rankings. SAR knowledge derived from training folds improves many GPT5.5-SAR and Opus4.7-SAR metrics but does not make rule based reasoning a universal substitute for supervised predictors. Compact specialized models remain highly effective for molecular property and activity prediction. Larger models add value for SAR interpretation and reasoning in low data settings, but predictive performance depends on the fit among model, task and validation scenario, not on scale alone.
Authors: Wei Feng, Haiyong Zheng
Abstract: Coherent Point Drift (CPD) is a representative probabilistic framework for unsupervised non-rigid point set registration. Its standard non-rigid M-step, however, relies on a point-indexed Gaussian-kernel system whose size grows with the number of moving points, making deformation estimation computationally heavy for large point sets and difficult to control in complexity during registration. To address these limitations, we propose Analytic-CPD, a new unsupervised non-rigid registration framework that gives CPD a structured analytic reformulation. Analytic-CPD preserves the CPD posterior correspondence layer, but lifts the M-step from point-indexed kernel displacement estimation to structured analytic mapping estimation. By coupling the Gaussian-mixture posterior mechanism of CPD with Structured Analytic Mappings (SAM), the method obtains a deformation model whose coefficient dimension is governed by the ambient dimension and analytic order rather than by the number of moving points. More importantly, deformation estimation is organized over an interpretable hierarchy of analytic function spaces, so the analytic order can be increased progressively as posterior correspondences become more reliable. We implement this idea through an increasing-degree continuation strategy with decreasing stage lengths: low-order analytic maps first stabilize the posterior correspondence structure, while higher-order modes later refine nonlinear residual deformation. Experiments on controlled model-matched, smooth model-mismatch, and registered human-shape data demonstrate the effectiveness and favorable accuracy--efficiency performance of Analytic-CPD.
Authors: Mohamadsadegh Khosravani, Sandra Zilles
Abstract: The effectiveness of active learning hinges on the choice of the acquisition criterion by which a learning algorithm selects potentially informative data points whose label is subsequently queried. This paper proposes a novel gradient-based acquisition criterion, derived from a generalization bound introduced by Luo et al. (2022). This criterion can be applied in lieu of uncertainty measures in uncertainty sampling, or incorporated into diversity-based methods that consider the spread of sampled points in addition to the uncertainty of their labels. We provide a theoretical justification of the proposed acquisition criterion, and demonstrate its effectiveness in an empirical evaluation.
Authors: Ahmed Cherif
Abstract: Long-term time series forecasting requires models that simultaneously capture rapid oscillations, medium-range periodicities, and slowly evolving macro-trends from a fixed look-back window. Existing lightweight MLP-based models typically operate on a single temporal resolution, limiting their ability to explicitly model patterns at multiple scales. We propose MSMixer, a channel-independent multi-scale MLP architecture that addresses this limitation through three complementary innovations: (i) three parallel scale branches at down-sample factors {1x, 4x, 16x} with independent MLP blocks, (ii) a learnable softmax gate that dynamically weighs branch outputs, and (iii) a DLinear complementary shortcut that provides full-window trend and seasonality context. MSMixer contains only 112K parameters at H=96 and runs at O(T) complexity. Evaluated on four ETT benchmarks with standard chronological splits and three random seeds, MSMixer achieves the lowest average MSE (0.357) among lightweight models, outperforming DLinear (0.386, -7.4%) and NLinear (0.365, -2.1%), winning 12 of 16 configurations. Against five Transformer-based baselines from the literature, MSMixer achieves best or second-best MSE in 9 of 16 configurations while using 5x fewer parameters than PatchTST. Ablation and sensitivity analyses confirm the complementary contributions of the multi-scale branches and the DLinear shortcut.
Authors: Zhaoyuan Su, Olatunji Ruwase, Karthik Ganesan, Aurick Qiao, Samyam Rajbhandari, Juncheng Yang, Yue Cheng, Yuxiong He
Abstract: Production LLM workloads increasingly serve discriminative tasks, such as classification, recommendation, and verification, whose answers are read from the logits of a single prefill pass with no autoregressive decoding. Serving these prefill-only workloads on mixture-of-experts (MoE) models is bottlenecked not by compute but by the distributed execution required to fit the model: existing parallel strategies (tensor, expert, and pipeline parallelism) trade memory pressure for redundant computation, communication, and synchronization, severely degrading MoE prefill serving efficiency. We observe that these overheads stem from coupling expert placement with synchronous activation routing -- a design inherited from the decoding era. The long, compute-bound forward passes of large-batch prefill open a per-layer window wide enough to stream expert weights in the background, replacing per-layer activation AllToAll with asynchronous weight AllGather fully overlapped with computation. We propose MoE-Prefill, a prefill-only serving system whose backend, AsyncEP (Asynchronous Expert Parallelism), gathers experts by weight rather than routing them by activation, and whose frontend co-enforces a physically-derived saturation threshold through prefix-aware routing and true-FLOPs load tracking. On Qwen3-235B-A22B across four hardware/precision configurations, MoE-Prefill delivers 1.35-1.37x throughput over the strongest distributed baseline on real-world workloads and up to 1.59x on long-context synthetic workloads, sustaining 29.8-36.2% per-GPU model FLOPs utilization.
Authors: Gabriel Garcia
Abstract: Large language models often fail at simple counting tasks, even when items to count are in the prompt. We investigate whether this failure occurs because transformers do not represent counts internally, or because they cannot convert representations to the correct output tokens. Across three model families: Pythia, Qwen3, and Mistral, ranging from 0.4B to 14B parameters, we find evidence for the second explanation. Linear probes recover the correct count from intermediate layers with $R^2>0.99$, showing that the information is present. However, the internal directions that encode counts are nearly orthogonal to digit-token output-head rows ($|\cos| \leq 0.032$). In other words, the model stores the count in a form that the digit logits do not naturally read out. We localize this failure with two interventions. Updating only the digit rows of the output head (36,864 parameters) substantially improves constrained digit prediction (60.7--100.0% on four tasks), but it does not fix unconstrained generation (0%); we do not claim that digit-row repair fixes open-ended text. By contrast, small LoRA on attention Q/V (7.67M parameters) improves upstream routing and achieves 83.1%$\pm$7.2% in true greedy autoregressive generation (deployable fix). Logit-lens at layer 35 (entity counting; correct-digit rank): (i) median over 3 seeds drops from order-$10^4$ to 1; (ii) seed 42 shows $54{,}332 \to 838$ (median top-1 while one seed stays far below). Norm, logit-lens, and cross-task analyses generalize the bottleneck to counting, addition, and list length; nulls on MMLU and GSM8K and limited DROP transfer. These results identify counting failure as a geometric readout bottleneck, not an internal-representation failure: the model knows the count but the output pathway is misaligned with tokens needed to express it.
Authors: Hao Zhou, Rui Zhang, Han Wan, Hao Sun
Abstract: Reconstructing PDE-governed fields from sparse and irregular measurements is challenging due to their ill-posed nature. Deterministic surrogates are trained on dense fields that struggle with limited measurements and uncertainty quantification. Generative models, by learning distributions over spatiotemporal fields, can better handle sparsity and uncertainty. However, existing generative approaches enforce data consistency and PDE constraints simultaneously via sampling-time gradient guidance, resulting in slow and unstable inference. To this end, we propose PerFlow, a Physics-embedded rectified Flow for efficient sparse reconstruction and uncertainty quantification of spatiotemporal dynamics. PerFlow decouples observation conditioning from physics enforcement, performing guidance-free conditioning by feeding observations into rectified-flow dynamics while embedding hard physics via a constraint-preserving projection (e.g., incompressibility or conservation). Theoretically, we establish invariance guarantees to ensure that trajectories remain on the physics-consistent manifold throughout sampling. Experiments on various PDE systems demonstrate competitive reconstruction accuracy with sound physics consistency, while enabling efficient conditional sampling (e.g., 50 steps) and up to 320x faster inference than 2000-step guided diffusion baselines.
Authors: Eszter Varga-Umbrich, Shikha Surana, Paul Duckworth, Jules Tilly, Olivier Peltre, Zachary Weller-Davies
Abstract: Training machine learning interatomic potentials (MLIPs) for reactive chemistry is often bottlenecked by the high cost of quantum chemical labels and the scarcity of transition state configurations in candidate pools. Active learning (AL) can mitigate these costs, but its effectiveness hinges on the acquisition rule. We investigate whether the latent space of a pretrained MLIP already contains the information necessary for effective acquisition, eliminating the need for auxiliary uncertainty heads, Bayesian training and fine-tuning, or committee ensembles. We introduce two acquisition signals derived directly from a pretrained MACE potential: a finite-width neural tangent kernel (NTK) and an activation kernel built from hidden latent space features. On reactive-chemistry benchmarks, both kernels consistently outperform fixed-descriptor baselines, committee disagreement, and random acquisition, reducing the data required to reach performance targets by an average of 38% for energy error and 28% for force error. We further show that the pretrained model induces similarity spaces that preserve chemically meaningful structure and provide more reliable residual uncertainty estimates than randomly initialised or fixed-descriptor-based kernels. Our results suggest that pretraining aligns latent-space geometry with model error, yielding a practical and sufficient acquisition signal for reactive MLIP fine-tuning.
Authors: Senne Deproost, Mehrdad Asadi, Ann Now\'e
Abstract: We introduce State Vector Space Partitioning (SVSP), a novel method to mimic a black box reinforcement learning policy using a set of human-interpretable subpolicies. By partitioning a distillation dataset of state action pairs with linear support vector machine splits, SVSP constructs a compact and structured representation of the original policy. Our method improves mean return by +7.4% over previous critic driven state partitioning attempts such as Voronoi State Partitioning (VSP) and +2.8% over the original TD3 policy, while reducing the number of required subpolicies against VSP by 82.1%. Our results pave the path towards a more flexible form of distillation where both the decision boundary and surrogate models can be chosen within a margin of the original black box behavior.
Authors: Tianshu Zhu, Wenyu Zhang, Xiaoying Zuo, Lun Tian, Haotian Zhao, Yucheng Zeng, Jingnan Gu, Daxiang Dong, Jianmin Wu, Dawei Yin, Dou Shen
Abstract: Agentic reinforcement learning (RL) for software engineering spends much of its compute on stateful trajectories whose grouped binary rewards are highly skewed and weakly contrastive. We frame this as pass-rate control and show that the binary reward-side signal is strongest near a 50% rollout pass rate under four criteria: reward entropy, group-filtering survival, leave-one-out (RLOO) advantage energy under Group Relative Policy Optimization (GRPO), and success-failure pair count. We propose Prefix Sampling (PS), which replays self-generated trajectory prefixes to steer skewed groups toward this regime: successful prefixes give mostly failing groups a head start, while failing prefixes handicap mostly passing groups. Replayed states are reconstructed through the existing rollout path, and replayed tokens are masked from the loss so optimization applies only to current-policy continuations. On SWE-bench Verified, PS reaches the baseline high-score regime within evaluation variability while delivering 2.01x and 1.55x end-to-end wall-clock speedups on Qwen3-14B and Qwen3-32B; the 14B peak improves from 0.274 to 0.295. AIME 2025 experiments on 4B and 8B show the same pass-rate-control pattern, and 4B ablations attribute gains to replay, bidirectional coverage, and adaptive control.
Authors: Wilson Wu, Victor Lecomte, Michael Winer, George Robinson, Jacob Hilton, Paul Christiano
Abstract: By far the most common way to estimate an expected loss in machine learning is to draw samples, compute the loss on each one, and take the empirical average. However, sampling is not necessarily optimal. Given an MLP at initialization, we show how to estimate its expected output over Gaussian inputs without running samples through the network at all. Instead, we produce approximate representations of the distributions of activations at each layer, leveraging tools such as cumulants and Hermite expansions. We show both theoretically and empirically that for sufficiently wide networks, our estimator achieves a target mean squared error using substantially fewer FLOPs than Monte Carlo sampling. We find moreover that our methods perform particularly well at estimating the probabilities of rare events, and additionally demonstrate how they can be used for model training. Together, these findings suggest a path to producing models with a greatly reduced probability of catastrophic tail risks.
Authors: Joon Jang, Eunho Jeong, Kyu Sung Choi, Hyeonjin Kim
Abstract: Simulation-based inference (SBI) provides amortized Bayesian parameter inference from simulator-generated data without requiring explicit likelihood evaluation. Its reliability can degrade under model misspecification, where real-world observations are not well represented by the simulator used for training. Existing methods using unlabeled real-world data often align simulated and real-world data distributions, but marginal alignment alone does not directly preserve parameter-relevant information needed for posterior inference. We propose SPIN, an SBI framework with parameter-relevant information-preserving domain transfer using unlabeled, unpaired real-world observations. During training, SPIN translates labeled simulator observations toward the real-world domain and back to the simulator domain, using the original simulator labels to encourage domain transfer that preserves parameter-relevant mutual information. At test time, the learned real-to-simulator transport maps real-world observations into the simulator domain for posterior inference, without requiring real-world parameter labels or paired real--simulator observations. Across controlled synthetic and physical real-world benchmarks, SPIN improves real-world posterior inference, with the improvement becoming clearer as misspecification increases.
Authors: Yaxin Hou, Jun Ma, Hanyang Li, Bo Han, Jie Yu, Yuheng Jia
Abstract: Semi-supervised learning faces significant challenges in realistic scenarios where labeled data is scarce and unlabeled data follows unknown, arbitrary distributions. We formalize this critical yet under-explored paradigm as Universal Semi-supervised Learning (UniSSL). Existing methods typically leverage unlabeled data via pseudo-labeling. However, they often rely on the idealized assumption of a uniform unlabeled data distribution or require sufficient labeled data to estimate it. In the UniSSL setting, such dependencies lead to numerous erroneous pseudo-labels, thereby triggering representation confusion. Fortunately, we observe that inter-sample relations captured by representations are more reliable than pseudo-labels. Leveraging this insight, we shift our focus to representation-level structural inference to bypass distribution estimation. Accordingly, we propose Simplex Anchored Graph-state Equipartition (SAGE), which captures high-order inter-sample dependencies to establish structural consensus for guiding representation learning. Meanwhile, to mitigate representation confusion, we employ vectors that satisfy a simplex equiangular tight frame to serve as a coordinate frame for guiding inter-class representation separation. Finally, we introduce a weighting strategy based on distribution-agnostic metrics to prioritize reliable pseudo-labels and an auxiliary branch to isolate potentially erroneous pseudo-labels. Evaluations on five standard benchmarks show that SAGE consistently outperforms state-of-the-art methods, with an average accuracy gain of $\textbf{8.52%}$.
Authors: Ahmad Aloradi, Tim Roith, Emanu\"el A. P. Habets, Daniel Tenbrinck
Abstract: Sparse training reduces the memory and computational costs of deep neural networks. However, sparse optimization methods, e.g., those adding an $\ell_1$ penalty, often control sparsity only indirectly through a regularization parameter $\lambda$, whose mapping to the final sparsity rate is non-trivial. In our experiments, we found this parameter sensitivity to be particularly pronounced for Bregman-based optimizers. Specifically, the two variants LinBreg and AdaBreg reach the same sparsity at $\lambda$ values that differ by up to two orders of magnitude, requiring expensive trial-and-error sweeps to achieve a user-specified sparsity. To address this, we propose an adaptive regularization scheme that updates $\lambda$ based on the difference between the model's current sparsity and the target sparsity. We analyze the resulting algorithm and evaluate it on automatic speaker verification with ECAPA-TDNN and ResNet34 on VoxCeleb and CNCeleb. The proposed method reliably achieves sparsity targets ranging between 75% and 99%. It also converges faster than the oracle-tuned non-adaptive baseline during early training and matches or surpasses its final performance in equal error rate. We further show that the adaptive scheme inherits key properties from its non-adaptive counterpart, including improved out-of-distribution robustness over the dense baselines.
Authors: Thomas Walker, T. Mitchell Roddenberry, Ahmed Imtiaz Humayun, Randall Balestriero, Richard Baraniuk
Abstract: The manifold hypothesis (MH) is often used to explain how machine learning can overcome the curse of dimensionality. However, the MH is only applicable in regimes where the training data provides a sufficiently dense sample of the underlying low-dimensional data manifold, or where such a low-dimensional manifold is conceivably present. We describe the regimes where the MH is not applicable as sparse. In this paper, we demonstrate that models succeed in the sparse regime by exploiting a highly structured local geometry, a property we formalize as normal alignment. We prove that normal-aligned classifiers -- whose input-output Jacobians are rank-one and align perfectly with the training data -- minimize the training objective under norm constraints and achieve maximal local robustness under a non-zero Jacobian constraint. For continuous piecewise-affine deep networks, normal alignment manifests geometrically as centroid alignment within the network's induced power diagram partition and results from the feature-learning regime. Motivated by these theoretical insights, we introduce GrokAlign, a regularization strategy that actively induces normal alignment. We demonstrate that GrokAlign significantly accelerates the training dynamics of deep networks relevant to the grokking phenomenon. Furthermore, we apply the principle of normal alignment to Recursive Feature Machines (RFMs) to introduce Recursive Feature Alignment Machines (RFAMs). We show that RFAMs exhibit greater adversarial robustness compared to RFMs when trained on tabular data.
Authors: Christopher Lohse, Anish Dhir, Amadou Ba, Bradley Eck, Marco Ruffini, Jonas Wahl
Abstract: Root cause analysis (RCA) in complex systems is challenging due to error propagation across multiple variables, the need for structural causal knowledge, and the computational cost of inference at test time. We introduce PRIM (Prior-fitted Root cause Identification with Meta-learning), a causal meta-learning approach that frames RCA as a Bayesian inference task over a synthetic prior of causal models. By marginalising out structural uncertainty, PRIM implicitly identifies changes in the data-generating mechanism between baseline and anomalous periods. In doing so, PRIM infers distributional differences without explicit statistical testing, and implicitly learns causal structure without model fitting at test time. Following the simulation-based meta-learning paradigm of prior-fitted networks, PRIM uses a Model-Averaged Causal Estimation (MACE) transformer neural process that jointly attends over observational and anomalous samples and the causal structure of nodes, enabling zero-shot inference in 17,ms for systems with up to 100 variables. Across synthetic benchmarks and two realistic benchmark datasets, PetShop and CausRCA, PRIM is competitive with methods that are aware of the system's causal graphical structure a priori while outperforming graph-unaware methods on several tasks. Lightweight fine-tuning to specific domains and data dynamics improves performance further.
Authors: Adeel Pervez, Francesco Locatello
Abstract: Autoregressive neural simulators now match classical solvers on short-horizon prediction of physical systems, yet their accuracy degrades rapidly when rolled out over long horizons. In this work, we identify transient amplification of perturbations around rollout trajectories as a structural mechanism driving rollout error. Using a linearization analysis we show that when the Jacobians along an autoregressive trajectory are non-normal and non-commuting, the model amplifies errors transiently, resulting in model rollout drift even when the overall system is asymptotically stable. Building on the analysis, we propose commutativity regularization: a combination of two penalties designed to reduce the normality defect of individual Jacobians and the commutator norm of Jacobians across steps. The penalties are estimated with Jacobian-vector products and have no inference-time cost. We show a propagator bound that quantifies rollout error under approximate commutativity and normality. We evaluate UNet and FNO variants with commutativity regularization on 1D and 2D spatio-temporal data in synthetic and real settings, showing successful long-horizon rollouts over thousands of steps. Further, we show that the method improves FourCastNet climate forecasts on ERA5 without using any new data. The gain is most pronounced out-of-distribution: trained on trajectories of a few hundred steps, regularized models remain in-distribution for thousands of rollout steps on initial conditions where baselines diverge.
Authors: Binghang Lu, Zheyuan Deng, Runyu Zhang, Bing Hu, Yunhan Zhao, Yuan Tian, Changhong Mou, Guang Lin, Xiaomin Li
Abstract: A central challenge in continual learning for large language models (LLMs) is catastrophic forgetting, where adapting to new tasks can substantially degrade performance on previously learned ones. Existing projection-based methods mitigate such interference by restricting parameter updates to subspaces that are orthogonal to directions associated with past tasks. However, these methods are typically formulated under Euclidean parameter geometry, with update magnitudes and projections governed by the Frobenius norm. The recent empirical success of the Muon optimizer, which applies orthogonalized matrix updates and admits a spectral-norm interpretation, suggests that Frobenius geometry may not be the most effective choice for matrix-valued LLM parameters. Motivated by this observation, we propose Muon-OGD, a spectral-norm-aware continual learning framework that integrates Muon-style operator-norm geometry with orthogonal projection constraints. Our method formulates each update as a spectral-norm-constrained optimization problem with linear non-interference constraints, and solves it efficiently through dual iterations and Newton--Schulz matrix-sign approximations. By applying orthogonalized momentum updates that avoid protected directions associated with prior tasks, Muon-OGD aims to improve the stability--plasticity trade-off in sequential LLM adaptation. We evaluate the proposed method on standard continual learning benchmarks, TRACE, and domain-specific Coding--Math--Medical curricula using both encoder--decoder and decoder-only architectures. Empirically, Muon-OGD consistently improves over sequential fine-tuning and competitive orthogonal-gradient baselines, while remaining computationally scalable. These results suggest that spectral-norm-aware update geometry provides a practical and effective alternative to Frobenius-norm projection for continual learning in LLMs.
Authors: Jiahe Chen, Ziye Ma
Abstract: Zeroth-order (ZO) optimization has become increasingly popular and important in fine-tuning large language models (LLMs), especially on edge devices due to its ability to adjust the model to local data without the need for memory-intensive back-propagation. Recent works try to reduce ZO variance through low-dimensional subspace search, but subspace restriction alone leaves key optimization geometry under-exploited, motivating additional acceleration. In this work, we focus on the hidden layer training problem in which spectral optimizers like Muon outperform AdamW due to its ability to exploit weak spectral directions by orthogonalization. However, we have discovered that unlike in the first-order setting, full orthogonalization works poorly in the ZO setting since the gradient estimates are highly noisy and unreliable. To address this issue, we propose applying partial spectral orthogonalization to accelerate ZO optimization. To do so, we replace the iconic Newton-Schulz procedure in Muon with the faster, more concentrated power-iteration method so that it only amplifies dominant spectral directions. Furthermore, to improve the efficiency and generalization of the algorithm, we adopted a streaming variant of power-iteration that requires low variance in gradients, which was achieved through constraining our search inside a subspace obtained through the projection of momentum, echoing recent advances. Experiments on LLM fine-tuning show that our method can achieve from 1.5x to 4x the convergence speed of ZO-Muon, the current SOTA algorithm, across SuperGlue datasets in the OPT-13B model. Across different models, we also reach competitive final accuracies with less time in most cases compared with strong ZO baselines such as MeZO, LOZO and ZO-Muon. Code is available at https://github.com/MOFA-LAB/ZO-MOPI.git.
Authors: Gabriel Smithline, Chris Mascioli
Abstract: Architectural choices inside the Transformer feedforward network (FFN) block do not merely affect the block itself; they reshape the computations learned by the rest of the model. We study this effect in one-layer Transformers trained on digit addition with carry, modular arithmetic, and histogram counting. Comparing dense FFNs, gated linear units (GLUs), mixture-of-experts (MoE), and MoE-GLUs, we find that sparse MoE routing can shift computation from FFN to attention, with the strongest ablation-visible effect on carry-based addition. We decompose this redistribution into reduced per-token FFN capacity and sparse partitioning across experts. Critically, frozen random routing nearly matches learned routing, suggesting that redistribution is driven largely by architectural sparsity rather than router-learned specialization. As a secondary finding, GLU-style multiplicative gating rotates task-relevant Fourier structure out of the per-neuron basis and into distributed subspaces, making neuron-level interpretability less informative while preserving structured computation. We validate these conclusions with random-routing, narrow-FFN, and top-2 MoE controls, plus parameter-matching, activation-function, and width-scaling analyses. Together, these results show that local FFN design choices can have nonlocal consequences for Transformer computation.
Authors: Daniel Goldstein, Eugene Cheah
Abstract: We present Key-Value Means ("KVM"), a novel block-recurrence for attention that can accommodate either fixed-size or growing state. Equipping a strong transformer baseline with fixed-size KVM attention layers yields a strong $O(N)$ chunked RNN, while adding only an insignificant number of new parameters. We train a transformer with a growable KVM cache and show it performs competitively on long-context tests with only subquadratic prefill time and sublinear state growth. KVM is implementable with standard operations and without custom kernels, and supports chunk-wise parallelizable training and prefill. It provides many of the benefits of both traditional transformers (expandable context memory, chunk-wise parallelizable training and prefill) and linear RNNs in a single unified package. It can be used on every layer, saving KV-cache memory, and allowing a continuous range of choices of prefill time complexity between $O(N)$ and $O(N^2)$. It can also be implemented in a hybrid solution in tandem with LRNN layers in place of traditional attention, to supplement the LRNN with improved sublinear memory growth context length usage and long context decoding. We release our code at https://github.com/featherless-ai/KVM-paper and trained models at https://huggingface.co/collections/featherless-ai/kvm-paper under the Apache 2.0 license.
URLs: https://github.com/featherless-ai/KVM-paper, https://huggingface.co/collections/featherless-ai/kvm-paper
Authors: Gabriel Garcia
Abstract: Corruption studies, the standard tool for evaluating chain-of-thought (CoT) faithfulness, infer which steps are ``computationally important'' from accuracy loss when steps are corrupted. We show that when benchmark chains end with an explicit terminal answer line, as in GSM8K and MATH, these tests largely measure \emph{answer placement} rather than where intermediate computation is carried out. Using matched GSM8K examples, removing only the final answer statement while preserving all reasoning collapses suffix sensitivity by about $19\times$ for Qwen~2.5-3B ($N{=}300$, $p{=}0.022$). Conflicting-answer prompts, which contain correct reasoning but a wrong explicit final answer, drive accuracy to zero or near-zero at 7B across five open-weight model families; wrong-answer following is strong at 3B--7B and attenuates sharply at larger scales. Replications on MATH, within-stable comparisons at 7B, and suffix-free chains show the same pattern in different guises: corruption sensitivity tracks the location of explicit answer text, not a fixed computational depth in the reasoning. Generation-time probes indicate that final answers are rarely early-determined during generation (${<}5\%$ early commitment), yet consumption-time behavior systematically follows explicit answer text. The confound is therefore largely a readout effect when the chain is consumed. We propose a three-prerequisite protocol (question-only control, format characterization, and an all-position sweep) as a practical minimum for future corruption-based faithfulness studies.
Authors: Daniel Ranard
Abstract: We introduce an automatically generated benchmark for predicting hidden text in technical papers. A paper supplies visible context $X$ and a hidden continuation $Y$; the evaluated model writes an auxiliary forecast string $Z$, and a separate scorer assigns next-token probability to $Y$ both with and without conditioning on $Z$. This gives a label-free test of whether $Z$ transmits information about the continuation, compared against controls where $Z$ is recent context rather than a forecast. Our main testbed is equation-suffix prediction: the predictor sees context and the first part of a displayed equation, then forecasts the rest. The task mixes surface-level arXiv/TeX text modeling with reasoning-sensitive inference; the suffix is one of many roughly equivalent continuations, so the benchmark is read statistically rather than item-by-item. On 1363 equation continuations from 138 recent physics and mathematics papers, forecasts from GPT-5.5, Opus 4.7, and GPT-5.4 nano all improve clipped likelihood over the context control under both Qwen3-8B and Kimi K2.6 scorers, distinguishing model families and reasoning-effort settings without human labels. To emulate shortcuts where $Z$ further primes the scorer rather than making a useful forecast, we also fine-tune the scorer on context-only prompts and apply it to held-out papers as a stronger control. GPT-5.5 forecasts still beat this fine-tuned control; GPT-5.4 nano forecasts do not. Longer prose/TeX continuations show positive but noisier lift over controls, concentrated near the beginning of the target. These results support cross-model likelihood scoring as a static benchmark and as a setup for probing shortcut vulnerabilities before reinforcement learning or model-selection optimization is applied.
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: Yuanda Xu, Hejian Sang, Zhengze Zhou, Ran He, Zhipeng Wang, Alborz Geramifard
Abstract: We present a four-stage post-training workflow for LLM reasoning that allocates scarce labeled training data more effectively than standard recipes. The stages are: (1) sparse-reward RL on a larger teacher; (2a) forward-KL warmup on teacher rollouts; (2b) on-policy distillation under student rollouts; (3) optional sparse-reward RL on the deployment student using any held-out labeled data. On verifiable math with a Qwen3-1.7B deployment student, the workflow reaches $79.3\%$ MATH and $25.2\%$ AIME~2024 (avg@16), versus $75.9\%$ and $19.8\%$ for direct GRPO on the same student. We justify the workflow through a reward-density principle: each gradient step of on-policy distillation is a local trust-region update under a dense teacher-induced implicit reward, informative only when the teacher is itself reward-shaped (condition C1) and lies within a small KL of the student (condition C2). Stages~1 and~2a are the explicit devices that enforce C1 and C2. A single component ablation confirms that each stage is load-bearing: replacing the RL-improved teacher with a raw teacher costs $7.8$ MATH points, removing the forward-KL warmup costs $1.7$ points, and removing the on-policy distillation stage costs $3.3$ points. The recipe replicates on Llama-3.1-8B-Instruct with a Llama-3.3-70B-Instruct teacher.
Authors: Nirmal Patel, Fei Wang, Inderjit S. Dhillon
Abstract: The alignment of Large Language Models (LLMs) utilizes Reinforcement Learning from AI Feedback (RLAIF) for non-verifiable domains such as long-form question answering and open-ended instruction following. These domains often rely on LLM based auto-raters to provide granular, multi-tier discrete rewards (e.g., 1-10 rubrics) that are inherently stochastic due to prompt sensitivity and sampling randomness. We empirically verify the stochasticity of auto-raters that can propagate and corrupt standard advantage estimators like GRPO and MaxRL, as a noisy reward samples can skew normalization statistics and degrade the global learning signal. Empirically, sampling more rewards and taking majority voting may reduce the noise and improve performance, but this approach is computationally expensive. To address this bottleneck, we introduce $\textbf{O}$rdinal $\textbf{D}$ecomposition for $\textbf{R}$obust $\textbf{P}$olicy $\textbf{O}$ptimization ($\textbf{ODRPO}$), a framework that structurally isolates evaluation noise by decomposing discrete rewards into a sequence of ordinal binary indicators. By independently computing and accumulating advantages across these progressively challenging success thresholds, ODRPO prevents outlier evaluations from corrupting the global update while establishing an implicit, variance-aware learning curriculum. Empirically, ODRPO achieves robust performance on Qwen2.5-7B and Qwen3-4B models, outperforming baselines with relative improvements of upto 14.8% on FACTS-grounding-v2 and 7.5% on Alpaca-Evals. Critically, these gains are achieved with negligible training-time overhead, as ODRPO requires no additional compute per step compared to standard estimators. Supported by theoretical analysis confirming its optimization stability, ODRPO provides a scalable and robust framework for aligning models within the noisy, discrete evaluation landscape of modern RLAIF.
Authors: Anastasiia Sedova, Skyler Seto, Natalie Schluter, Pierre Ablin
Abstract: As language models scale, the amount of data they require grows -- yet many target data sources, such as low-resource languages or specialized domains, are inherently limited in size. A common strategy is to mix this scarce but valuable target data with abundant generic data, which presents a fundamental trade-off: too little target data in the mixture underexposes the model to the target domain, while too much target data repeats the same examples excessively, yielding diminishing returns and eventual overfitting. We study this trade-off across more than 2,000 language-model training runs spanning multiple model and target dataset sizes, as well as several data types, including multilingual, domain-specific, and quality-filtered mixtures. Across all settings, we find that repetition is a central driver of target-domain performance, and that mixture training tolerates much higher repetition than single-source training: scarce target corpora can be reused 15-20 times, with the optimal number of repetitions depending on the target data size, compute budget, and model scale. Next, we introduce a repetition-aware mixture scaling law that accounts for the decreasing value of repeated target tokens and the regularizing role of generic data. Optimizing the scaling law provides a principled way to compute effective mixture configurations, yielding practical mixture recommendations for pretraining under data constraints.
Authors: Eszter Varga-Umbrich, Zachary Weller-Davies, Paul Duckworth, Jules Tilly, Olivier Peltre, Shikha Surana
Abstract: Active learning for machine-learning interatomic potentials (MLIPs) must address several challenges to be practical: scaling to large candidate pools, leveraging energy-force supervision, and maintaining robustness when candidate pools are biased relative to the target distribution. In this work, we jointly address these challenges. We first introduce a linearly scaling acquisition framework based on chunked feature-space posterior-variance shortlisting. By avoiding materialisation of the candidate and train set kernels, this approach enables screening of ~200k structures within hours and applies broadly to acquisition strategies that score candidates based on molecular similarity metrics. We then extend the Neural Tangent Kernel (NTK) to a force-aware setting via mixed parameter-coordinate derivatives, yielding a force NTK and a joint energy-force NTK that provide natural similarity metrics for vector-field prediction. We demonstrate the effectiveness of the joint energy-force NTK on the OC20 dataset, where force-aware acquisition is crucial: it achieves the lowest energy and force MAE and RMSE across all metrics and distribution splits. Across T1x, PMechDB, and RGD benchmarks, our force NTK methods remain competitive with established baselines while being significantly more efficient than committee-based approaches. Under a controlled candidate-pool shift case study on T1x, acquisition based on pretrained MLIP embeddings and NTKs remains robust, whereas committee-based methods exhibit higher variance. Overall, these results show that a single pretrained MLIP can enable scalable, force-aware, and distribution-robust active learning for foundation-model fine-tuning.
Authors: William Lehn-Schi{\o}ler, Magnus Ruud Kj{\ae}r, Rahul Thapa, Magnus Guldberg Pedersen, Anton Mosquera Storgaard, Nick Williams, Radu Gatej, Tue Lehn-Schi{\o}ler, S\'andor Beniczky, Sadasivan Puthusserypady, James Zou, Lars Kai Hansen
Abstract: EEG foundation models achieve state-of-the-art clinical performance, yet the internal computations driving their predictions remain opaque: a barrier to clinical trust. We apply TopK Sparse Autoencoders (SAEs) across three architecturally distinct EEG transformers: SleepFM, REVE, and LaBraM to extract sparse feature dictionaries from their embeddings. By grounding these features in a clinical taxonomy (abnormality, age, sex, and medication), we benchmark monosemanticity and entanglement across architectures. A single hyperparameter procedure, driven by an intrinsic dictionary health audit, transfers robustly across all three architectures. Via concept steering, we introduce a "target vs. off-target" probe area metric to quantify steering selectivity and reveal three operational regimes: selectively steerable, encoded but entangled, and non-encoded. This framework exposes critical representational failures: "wrecking-ball" interventions that collapse global model performance, and clinical entanglements, such as age-pathology confounding, where it is impossible to suppress one concept without corrupting the other. Finally, a spectral decoder maps these interventions back to the amplitude spectrum, translating latent manipulations into physiologically interpretable frequency signatures, such as pathological slow-wave suppression and $\alpha$-band restoration.
Authors: Jerem\'ias Figueiredo Paschmann, Juan Kaplan, Francisco Nattero, Santiago Barron, Juan Wisznia, Luciano del Corro
Abstract: Pairwise Ranking Prompting (PRP) elicits pairwise preference judgments from an LLM, which are then aggregated into a ranking, usually via classical sorting algorithms. However, judgments are noisy, order-sensitive, and sometimes intransitive, so sorting assumptions do not match the setting. Because sorting aims to recover a full permutation, truncating it to meet a call budget does not produce a dependable top-K. We thus reframe PRP reranking as active learning from noisy pairwise comparisons and show that active rankers are drop-in replacements that improve NDCG@10 per call in the call-constrained regime. Our noise-robust framework also introduces a randomized-direction oracle that uses a single LLM call per pair. This approach converts systematic position bias into zero-mean noise, enabling unbiased aggregate ranking without the cost of bidirectional calls.
Authors: Yuchen Sun, Pei Fu, Shaojie Zhang, Anan Du, Xiuwen Xi, Ruoceng Zhang, Zhenbo Luo, Jian Luan, Chongyang Zhang
Abstract: Test-Time Scaling (TTS), which samples multiple candidate actions and ranks them via a Critic Model, has emerged as a promising paradigm for generalist GUI agents. Its efficacy thus hinges on the critic's fine-grained ranking ability. However, existing GUI critic models uniformly adopt binary classification. Our motivational analysis of these models exposes a severe entanglement: scores for valid actions and plausible-but-invalid distractors become indistinguishable. We attribute this failure to two structural defects: Affordance Collapse--the hierarchical affordance space is compressed into 0/1 labels; and Noise Sensitivity--binary objectives overfit to noisy decision boundaries. To resolve this, we introduce BBCritic (Beyond-Binary Critic), a paradigm shift grounded in the Functional Equivalence Hypothesis. Through two-stage contrastive learning, BBCritic aligns instructions and actions in a shared Affordance Space, recovering the hierarchical structure that binary supervision flattens. We also present BBBench (Beyond-Binary Bench), the first GUI critic benchmark that pairs a dense action space with a hierarchical four-level taxonomy, enabling fine-grained ranking evaluation. Experimental results show that BBCritic-3B, trained without any extra annotation, outperforms 7B-parameter SOTA binary models. It demonstrates strong zero-shot transferability across platforms and tasks, supporting our methodological view: GUI critique is fundamentally a metric-learning problem, not a classification one.
Authors: Magdalena Proszewska, N. Siddharth
Abstract: Graph Neural Networks (GNNs) have advanced significantly in handling graph-structured data, but a comprehensive framework for evaluating explainability remains lacking. Existing evaluation frameworks primarily involve post-hoc explanations, and operate in the setting where multiple methods generate a suite of explanations for a single model. This makes comparison of explanations across models difficult. Evaluation of inherently interpretable models often targets a specific aspect of interpretability relevant to the model, but remains underdeveloped in terms of generating insight across a suite of measures. We introduce AIM, a comprehensive framework that addresses these limitations by measuring Accuracy, Instance-level explanations, and Model-level explanations. AIM is formulated with minimal constraints to enhance flexibility and facilitate broad applicability. Here, we use AIM in a pipeline, extracting explanations from inherently interpretable GNNs such as graph kernel networks (GKNs) and prototype networks (PNs), evaluating these explanations with AIM, identifying their limitations and obtaining insights to their characteristics. Taking GKNs as a case study, we show how the insights obtained from AIM can be used to develop an updated model, xGKN, that maintains high accuracy while demonstrating improved explainability. Our approach aims to advance the field of Explainable AI (XAI) for GNNs, providing more robust and practical solutions for understanding and improving complex models.
Authors: Anurup Ganguli
Abstract: Continually pre-training a large language model on heterogeneous text domains, without replay or task labels, has remained an unsolved architectural problem at LLM scale. Existing methods rely on replay buffers, task identifiers, regularization penalties that scale poorly, or sentence-classification-scale evaluation. We introduce TFGN, an architectural overlay for transformer language models that produces input-conditioned, parameter-efficient updates while leaving the rest of the transformer unchanged. On six heterogeneous text domains (Prose, Python, Math, Biomedical, Chinese, JavaScript) at 1B tokens per phase across three model scales (~398M, ~739M, ~9B) and two regimes (From-Scratch and Retrofit), TFGN achieves backward transfer of -0.007 at LLaMA 3.1 8B Retrofit, HellaSwag retention 0.506/0.504/0.510, and >=99.59% L2-orthogonal gradient separation between domain pairs - with no replay, no task IDs, no Fisher penalty. The same matrices show positive cross-domain forward transfer: held-out JavaScript PPL drops 26.8% at LLaMA-8B Retrofit and 62.0% at GPT-2 Medium From-Scratch purely from Python training. Two extensions on the same substrate close further open problems. A closed-loop meta-control layer (Extension A) reduces forgetting by an additional 81% at ~398M, mapping onto the System A and System M roles of Dupoux et al. (arXiv:2603.15381). An operator-level plan vector (Extension B) reshapes forward-pass behavior at 99.96% cosine fidelity over 30 source->target pairs. The architectural insight is a Read/Write decomposition: the forward pass is fully dense, while cross-domain parameter updates are structured so prior-domain subspaces are not written to. To our knowledge, TFGN is the first architecture that simultaneously closes catastrophic forgetting at LLM scale, realizes a closed-loop autonomous-learning meta-controller, and carries an operator-level latent planner.
Authors: Will Schwarzer, Scott Niekum
Abstract: Estimating how often an ML model will fail at deployment scale is central to pre-deployment safety assessment, but a feasible evaluation set is rarely large enough to observe the failures that matter. Jones et al. (2025) address this by extrapolating from the largest k failure scores in an evaluation set to predict deployment-scale failure rates. We give a finite-k decomposition of this estimator's forecast error and show that it has a built-in bias toward over-prediction in the typical case, which is the safety-favorable direction. This bias is offset when the evaluation set misses a rare high-failure mode that the deployment set contains, leaving the forecast to under-predict at deployment scale. We propose a fine-tuning objective, the forecastability loss, that addresses this failure mode. In two proof-of-concept experiments, a language-model password game and an RL gridworld, fine-tuning substantially reduces held-out forecast error while preserving primary-task capability and achieving safety similar to that of supervised baselines.
Authors: Ravidu Suien Rammuni Silva, Jordan J. Bird
Abstract: Explainability is a vital aspect of modern AI for real-world impact and usability. The main objective of this paper is to emphasise the need to understand the predictions of Computer Vision models, specifically Convolutional Neural Network (CNN) models. Existing methods for explaining CNN predictions are largely based on Gradient-weighted Class Activation Maps (Grad-CAM) and focus solely on a single target class; this assumption about the target class selection neglects a large portion of the predictor CNN's prediction process. In this paper, we present an exhaustive methodology, called Fused Multi-class Gradient-weighted Class Activation Map (FM-G-CAM), that considers multiple top-predicted classes and provides a holistic explanation of the predictor CNN's rationale. We also provide a detailed mathematical and algorithmic description of our method. Furthermore, alongside a concise comparison of existing methods, we compare FM-G-CAM with Grad-CAM, quantitatively and qualitatively highlighting its benefits through real-world practical use cases. Finally, we present an open-source Python library with an FM-G-CAM implementation to conveniently generate saliency maps for CNN-based model predictions.
Authors: Ziyu Liu, Zeyi Sun, Yuhang Zang, Wei Li, Pan Zhang, Xiaoyi Dong, Yuanjun Xiong, Dahua Lin, Jiaqi Wang
Abstract: CLIP (Contrastive Language-Image Pre-training) uses contrastive learning from noise image-text pairs to excel at recognizing a wide array of candidates, yet its focus on broad associations hinders the precision in distinguishing subtle differences among fine-grained items. Conversely, Multimodal Large Language Models (MLLMs) excel at classifying fine-grained categories, thanks to their substantial knowledge from pre-training on web-level corpora. However, the performance of MLLMs declines with an increase in category numbers, primarily due to growing complexity and constraints of limited context window size. To synergize the strengths of both approaches and enhance the few-shot/zero-shot recognition abilities for datasets characterized by extensive and fine-grained vocabularies, this paper introduces RAR, a Retrieving And Ranking augmented method for MLLMs. We initially establish a multi-modal retriever based on CLIP to create and store explicit memory for different categories beyond the immediate context window. During inference, RAR retrieves the top-k similar results from the memory and uses MLLMs to rank and make the final predictions. Our proposed approach not only addresses the inherent limitations in fine-grained recognition but also preserves the model's comprehensive knowledge base, significantly boosting accuracy across a range of vision-language recognition tasks. Notably, our approach demonstrates a significant improvement in performance on 5 fine-grained visual recognition benchmarks, 11 few-shot image recognition datasets, and the 2 object detection datasets under the zero-shot recognition setting.
Authors: Matteo Carli, Alex Rodriguez, Alessandro Laio, Aldo Glielmo
Abstract: We introduce the Binless Multidimensional Thermodynamic Integration (BMTI) method for nonparametric, robust, and data-efficient density estimation. BMTI estimates the logarithm of the density by initially computing log-density differences between neighbouring data points. Subsequently, such differences are integrated, weighted by their associated uncertainties, using a maximum-likelihood formulation. This procedure can be seen as an extension to a multidimensional setting of the thermodynamic integration, a technique developed in statistical physics. The method leverages the manifold hypothesis, estimating quantities within the intrinsic data manifold without defining an explicit coordinate map. It does not rely on any binning or space partitioning, but rather on the construction of a neighbourhood graph based on an adaptive bandwidth selection procedure. BMTI mitigates the limitations commonly associated with traditional nonparametric density estimators, effectively reconstructing smooth profiles even in high-dimensional embedding spaces. The method is tested on a variety of complex synthetic high-dimensional datasets, where it is shown to outperform traditional estimators, and is benchmarked on realistic datasets from the chemical physics literature.
Authors: ChonLam Lao, Jiaqi Gao, Jiamin Cao, Zhipeng Zhang, Pengcheng Zhang, Jiangfei Duan, Zhilong Zheng, Yu Guan, Yichi Xu, Yong Li, Zhengping Qian, Aditya Akella, Minlan Yu, Ennan Zhai, Dennis Cai, Jingren Zhou
Abstract: Large-scale ML training jobs are frequently interrupted by hardware and software anomalies, failures, and management events. Existing solutions like checkpoint-restart or runtime reconfiguration suffer from long downtimes and degraded performance. We present TrainMover, a resilient LLM training runtime that leverages elastic and standby machines to handle interruptions with minimal downtime and zero memory overhead. To achieve these goals, TrainMover introduces three key techniques: two-phase, delta-based communication group setup; communication-free sandboxed warmup; and general standby design that enables failure recovery from any role. Our evaluation shows that TrainMover consistently achieves around 20 seconds of downtime when handling various interruptions at the 1024-GPU scale. TrainMover is projected to reduce wasted GPU hours by 55% compared to the best alternative, saving 1.4 million GPU-hours per week at the 64K-GPU scale.
Authors: Atsushi Suzuki, Yulan He, Feng Tian, Zhongyuan Wang
Abstract: Hallucinations, a phenomenon where a language model (LM) generates nonfactual content, pose a significant challenge to the practical deployment of LMs. While many empirical methods have been proposed to mitigate hallucinations, recent studies established a computability-theoretic result showing that any LM will inevitably generate hallucinations on an infinite set of inputs, regardless of the quality and quantity of training datasets and the choice of the language model architecture and training and inference algorithms. Although the computability-theoretic result may seem pessimistic, its significance in practical viewpoints has remained unclear. This paper claims that those "innate" inevitability results from computability theory and diagonal argument, in principle, cannot explain practical issues of LLMs. We demonstrate this claim by presenting a positive theoretical result from a probabilistic perspective. Specifically, we prove that hallucinations can be made statistically negligible, provided that the quality and quantity of the training data are sufficient. Interestingly, our positive result coexists with the computability-theoretic result, implying that while hallucinations on an infinite set of inputs cannot be entirely eliminated, their probability can always be reduced by improving algorithms and training data. By evaluating the two seemingly contradictory results through the lens of information theory, we argue that our probability-theoretic positive result better reflects practical considerations than the computability-theoretic negative result.
Authors: Yash Akhauri, Ahmed F AbouElhamayed, Yifei Gao, Chi-Chih Chang, Sameh Gobriel, Nilesh Jain, Mohamed S. Abdelfattah
Abstract: Large Language Models (LLMs) rely on the Key-Value (KV) Cache to store token history, enabling efficient decoding of tokens. As the KV-Cache grows, it becomes a major memory and computation bottleneck. However, there is an opportunity to alleviate this bottleneck, prior research has shown that only a small subset of tokens contribute meaningfully to each decoding step. A key challenge in finding these critical tokens is that they are dynamic, and heavily input query-dependent. Existing methods either risk quality by evicting tokens permanently, or retain the full KV-Cache but rely on retrieving chunks of tokens and many existing KV-Cache sparsity methods rely on inaccurate proxies for token importance. To address these limitations, we introduce TokenButler, a high-granularity, query-aware predictor that learns to identify these critical tokens. TokenButler predicts low-dimensional importance queries at a fixed depth stride, and combines them with a learned projection of the real KV-cache keys to score tokens cheaply, enabling dynamic per-token selection under a fixed budget while preserving the full KV cache. We train TokenButler by distilling the model's masked causal attention distributions, optimizing a lightweight predictor with minimal parameter overhead. We evaluate TokenButler on a novel synthetic small-context co-referential retrieval task, demonstrating near-oracle accuracy where existing methods fail. Furthermore, TokenButler achieves competitive or superior performance on long-context benchmarks (RULER, LongBench), up to $\approx1.6\times$ on-GPU speedup using our proposed *prediction interval with neighbor fetching* that amortizes predictor cost while maintaining accuracy within $\approx$1.1\%, and up to 7.6$\times$ reduction in latency compared to Dense Attention with CPU offloading. Code is available: https://github.com/abdelfattah-lab/TokenButler
Authors: Sebastian Springer, Andre Scaffidi, Maximilian Autenrieth, Gabriella Contardo, Alessandro Laio, Roberto Trotta, Heikki Haario
Abstract: Detecting localized differences between two samples is a central task in scientific data analysis, required for the identification of signal events, regime changes, or model mismatch. We introduce EagleEye, a method that pinpoints local over- and under-densities in multivariate feature spaces. EagleEye assigns each point an anomaly score by encoding its ordered k-nearest-neighbour list as a binary membership sequence and testing whether the cumulative number of successes in this sequence is consistent with a binomial (coin-flipping) null model. In the presence of a genuine local anomaly, neighbours will preferentially belong to one of the two datasts, yielding an excess of ``successes'' relative to the binomial null model. These local, pointwise detections are consolidated into interpretable anomaly sets through a deterministic refinement procedure that can also estimate the irreducible background and local density anomaly purity. We demonstrate EagleEye's efficacy in three scenarios. We first consider an artificial data example with known localized over- and under-densities. Second, we demonstrate how EagleEye may be used for new physics searches at particle collider experiments in the presence of systematic background modelling differences. Finally, we conduct a climate analysis study that reveals localized changes in spatiotemporal temperature-pattern recurrence.
Authors: Maria-Florina Balcan, Kiriaki Fragkia, Keegan Harris
Abstract: We initiate the study of structured Stackelberg games, a novel form of strategic interaction between a leader and a follower where contextual information can be predictive of the follower's (unknown) type. Motivated by applications such as security games and AI safety, we show how this additional structure can help the leader learn a utility-maximizing policy in both the online and distributional settings. In the online setting, we first prove that standard learning-theoretic measures of complexity do not characterize the difficulty of the leader's learning task. Notably, we find that there exists a learning-theoretic measure of complexity, analogous to the Littlestone dimension in online classification, that tightly characterizes the leader's instance-optimal regret. We term this the Stackelberg-Littlestone dimension, and leverage it to provide a provably optimal online learning algorithm. In the distributional setting, we provide analogous results by showing that two new dimensions control the sample complexity upper- and lower-bound.
Authors: Zihan Zhang, Leon Wong, Blesson Varghese
Abstract: Federated learning (FL) systems facilitate distributed machine learning across a server and multiple devices. However, FL systems have low resource utilization on servers and devices, limiting their practical use in the real world. This inefficiency primarily arises from two types of idle time: (i) task dependency between the server and devices, and (ii) stragglers among heterogeneous devices. This paper introduces FedOptima, a resource-optimized FL system designed to simultaneously minimize both types of idle time; existing systems do not eliminate or reduce both at the same time. FedOptima offloads the training of certain layers of a neural network from a device to a server using three innovations. First, devices operate independently of each other using asynchronous aggregation to eliminate straggler effects, and independently of the server by utilizing auxiliary networks to minimize idle time caused by task dependency. Second, the server performs centralized training using a task scheduler that ensures balanced contributions from all devices, improving model accuracy. Third, an efficient memory management mechanism on the server increases the scalability of the number of participating devices. Extensive experiments are conducted on multiple lab-based testbeds, evaluated on image classification and sentiment analysis tasks with CNNs and Transformers. Compared to four state-of-the-art offloading-based and asynchronous FL baselines, FedOptima (i) achieves higher or comparable accuracy, (ii) accelerates training by 1.9x to 21.8x, (iii) reduces server and device idle time by up to 93.9% and 81.8%, respectively, and (iv) increases throughput by 1.1x to 2.0x.
Authors: Julius von K\"ugelgen, Jakob Ketterer, Michael Vollenweider, Michael Scholkemper, Xinwei Shen, Nicolai Meinshausen, Jonas Peters
Abstract: We consider the problem of modeling the effects of perturbations like gene knockouts on measurements such as single-cell RNA counts. Given data for some perturbations, we aim to predict the distribution of measurements for new combinations of perturbations. To address this challenging extrapolation task, we posit that perturbations act additively in a suitable, unknown embedding space. We formulate the data-generating process as a latent variable model, in which perturbations amount to mean shifts in latent space and can be combined additively. We then prove that, given sufficiently diverse training perturbations, the representation and perturbation effects are identifiable up to orthogonal transformation and use this to derive extrapolation guarantees for unseen perturbations that can be expressed as linear combinations of seen ones. To estimate the model from data, we propose the perturbation distribution autoencoder (PDAE), which is trained by maximizing the distributional similarity between true and simulated perturbation distributions. The trained model can then be used to predict previously unseen perturbation distributions. In support of our theoretical results, we demonstrate through simulations that PDAE can accurately predict the effects of unseen but identifiable perturbations, and showcase the method on combinatorial gene perturbation data.
Authors: Diksha Goel, Kristen Moore, Jeff Wang, Minjune Kim, Thanh Thi Nguyen
Abstract: Reinforcement Learning (RL) agents are increasingly used to simulate sophisticated cyberattacks, but their decision-making processes remain opaque, hindering trust, debugging, and defensive preparedness. In high-stakes cybersecurity contexts, explainability is essential for understanding how adversarial strategies are formed and evolve over time. In this paper, we propose a unified, multi-layer explainability framework for RL-based attacker agents that reveals both strategic (Markov Decision Process (MDP)-level) and tactical (policy-level) reasoning. At the MDP-level, we model cyberattacks as a Partially Observable Markov Decision Process (POMDP) to expose exploration-exploitation dynamics and phase-aware behavioural shifts. At the policy-level, we analyse the temporal evolution of Q-values and use Prioritised Experience Replay (PER) to surface critical learning transitions and evolving action preferences. Evaluated across CyberBattleSim environments of increasing complexity, our framework offers interpretable insights into agent behaviour at scale. Unlike previous explainable RL methods, which are {predominantly} post-hoc, domain-specific, or limited in depth, our approach is both agent- and environment-agnostic, {supporting use cases such as red-team simulation, RL policy debugging, phase-aware threat modelling and anticipatory defence planning.} By transforming black-box learning into actionable behavioural intelligence, our framework enables both defenders and developers to better anticipate, analyse, and respond to autonomous cyber threats.
Authors: Jinyang Wu, Chonghua Liao, Mingkuan Feng, Shuai Zhang, Zhengqi Wen, Haoran Luo, Ling Yang, Huazhe Xu, Jianhua Tao
Abstract: Reinforcement learning (RL) has emerged as an effective paradigm for enhancing model reasoning. However, existing RL methods like GRPO typically rely on unstructured self-sampling to fit scalar rewards, often producing inefficient rollouts that fail to capture transferable problem-solving strategies. To address this limitation, we propose **TemplateRL**, a structured template-guided RL framework that augments policy optimization with explicit template guidance. Our approach first constructs a problem-solving template library via MCTS on a small seed set, then seamlessly integrates this high-level structured guidance into RL training. By guiding rollout generation to align with proven template structures, TemplateRL significantly improves high-quality trajectory hit rates while reducing ineffective exploration. This structure-guided design steers the policy toward validated strategic patterns, stabilizing training dynamics, and enhancing RL sampling efficiency. Notably, the explicit template library is interpretable, editable, and supports online updates-enabling continuous updates during both training and inference. Extensive experiments demonstrate that TemplateRL outperforms GRPO by 99% on AIME and 41% on AMC, with superior stability on weak models and remarkable cross-domain generalization, highlighting its potential for broader tasks.
Authors: Yuxin Ren, Maxwell D Collins, Miao Hu, Huanrui Yang
Abstract: While transformers dominate modern vision and language models, their attention mechanism remains poorly suited for in-memory computing (IMC) devices due to intensive activation-to-activation multiplications and non-local memory access, leading to substantial latency and bandwidth overhead on ReRAM-based accelerators. To address this mismatch, we propose FAR, a Function-preserving Attention Replacement framework that substitutes all attention in pretrained DeiTs with sequential modules inherently compatible with IMC dataflows. Specifically, FAR replaces self-attention with a multi-head bidirectional LSTM architecture via block-wise distillation to retain functional equivalence while enabling linear-time computation and localized weight reuse. We further incorporate structured pruning on FAR models, enabling flexible adaptation to resource-constrained IMC arrays while maintaining functional fidelity. Evaluations on the DeiT family demonstrate that FAR maintains comparable accuracy to the original attention-based models on ImageNet and multiple downstream tasks with reduced parameters and latency. Further analysis shows that FAR preserves the semantic token relationships learned by attention while improving computational efficiency, highlighting its potential for energy-efficient transformer inference on IMC-based edge accelerators.
Authors: Atsushi Suzuki, Jing Wang
Abstract: Will further scaling up of machine learning models continue to bring success? A significant challenge in answering this question lies in understanding generalization gap, which is the impact of overfitting. Understanding generalization gap behavior of increasingly large-scale machine learning models remains a significant area of investigation, as conventional analyses often link error bounds to model complexity, failing to fully explain the success of extremely large architectures. This research introduces a novel perspective by establishing a model-independent upper bound for generalization gap applicable to algorithms whose outputs are determined solely by the data's histogram, such as empirical risk minimization or gradient-based methods. Crucially, this bound is shown to depend only on the R\'enyi entropy of the data-generating distribution, suggesting that a small generalization gap can be maintained even with arbitrarily large models, provided the data quantity is sufficient relative to this entropy. This framework offers a direct explanation for the phenomenon where generalization performance degrades significantly upon injecting random noise into data, where the performance degrade is attributed to the consequent increase in the data distribution's R\'enyi entropy. Furthermore, we adapt the no-free-lunch theorem to be data-distribution-dependent, demonstrating that an amount of data corresponding to the R\'enyi entropy is indeed essential for successful learning, thereby highlighting the tightness of our proposed generalization bound.
Authors: Andrew Cropper, Filipe Gouveia, David M. Cerna
Abstract: Inductive logic programming (ILP) is a form of logical machine learning. The goal is to search a hypothesis space for a hypothesis that generalises training examples and background knowledge. We introduce an approach that 'shrinks' the hypothesis space before an ILP system searches it. Our approach uses background knowledge to find rules that cannot be in an optimal hypothesis regardless of the training examples. For instance, our approach discovers relationships such as "even numbers cannot be odd" and "prime numbers greater than 2 are odd". It then removes violating rules from the hypothesis space. We implement our approach using answer set programming and use it to shrink the hypothesis space of a constraint-based ILP system. Our experiments on multiple domains, including visual reasoning and game playing, show that our approach can substantially reduce learning times whilst maintaining predictive accuracies. For instance, given just 10 seconds of preprocessing time, our approach can reduce learning times from over 10 hours to only 2 seconds.
Authors: Aditya Majumdar, Wenbo Zhang, Kashvi Prawal, Amulya Yadav
Abstract: AI for Social Impact (AI4SI) is an emergent field harnessing interdisciplinarities between the fields of artificial intelligence (AI), machine learning (ML), and the social sciences to address societal issues aligned with the United Nations Sustainable Development Goals (UN SDGs), such as universal healthcare, climate action, etc. Despite AI4SI's rising popularity, achieving tangible, on-the-ground impact remains a significant challenge. In particular, identifying collaborators open to co-designing and deploying AI4SI-based solutions in real-world settings is often difficult. Thus, many projects stall at the proof-of-concept stage, unable to scale to production-level deployment. Drawing on twenty-six AI4SI researchers' interviews, primarily from academic institutions though also including some industry researchers and practitioners, and the authors' own lived experiences, this paper employs thematic analysis to highlight structural, organizational, communication, collaboration, and operational challenges hindering socially impactful AI4SI deployments. While there are no easy fixes, the authors synthesize best practices and actionable strategies from interviews and personal experiences, positioning this paper as a practical guide for AI4SI researchers and organizations pursuing socially impactful collaborations$^1$. $^1$We note that our findings are most directly applicable to academic research groups in the global north, as governmental, startup, and global south researchers' perspectives are underrepresented in our sample.
Authors: Sharique Hasan, Alexander Oettl, Sampsa Samila
Abstract: This paper introduces the Generality-Accuracy-Simplicity (GAS) framework to analyze how large language models (LLMs) are reshaping organizations and competitive strategy. We argue that viewing AI as a simple reduction in input costs overlooks two critical dynamics: (a) the inherent trade-offs among generality, accuracy, and simplicity, and (b) the redistribution of complexity across stakeholders. While LLMs appear to defy the traditional trade-off by offering high generality and accuracy through simple interfaces, this user-facing simplicity masks a significant shift of complexity to infrastructure, compliance, and specialized personnel. The GAS trade-off, therefore, does not disappear but is relocated from the user to the organization, creating new managerial challenges, particularly around accuracy in high-stakes applications. We contend that competitive advantage no longer stems from mere AI adoption, but from mastering this redistributed complexity through the design of abstraction layers, workflow alignment, and complementary expertise. This study advances AI strategy by clarifying how scalable cognition relocates complexity and redefines the conditions for technology integration.
Authors: Shengji Tang, Jianjian Cao, Weihao Lin, Jiale Hong, Bo Zhang, Shuyue Hu, Lei Bai, Tao Chen, Wanli Ouyang, Peng Ye
Abstract: Existing multi-LLM collaboration systems often encounter scalability challenges when integrating new LLMs and tasks, leading to suboptimal performance. To address this, we propose SMCS, a Scalable Multi-LLM Collaboration System designed to effectively coordinate multiple open-source LLMs. The system consists of two core components: a Retrieval-based Prior Selection (RPS) module, which dynamically selects the most suitable LLMs for each input, and an Exploration-Exploitation-Driven Posterior Enhancement (EPE) module, which fosters response diversity and selects high-quality outputs through a hybrid scoring mechanism. Experiments on eight mainstream benchmarks validate the effectiveness of our system: by integrating fifteen open-source LLMs, SMCS outperforms prevailing closed-source LLMs, e.g., GPT-4.1(+5.36%) and GPT-o3-mini(+5.28%) across multiple tasks. Remarkably, it even exceeds the average of best results on different datasets with open-source LLMs (+2.86%), significantly advancing the empirical performance frontier of open-source collaboration. The code is released at https://github.com/magent4aci/SMCS.
Authors: Srimoyee Sen, Varun Vaidya
Abstract: Neural Network (NN) architectures that break statistical independence of parameters have been proposed as a new approach for simulating local quantum field theories (QFTs). In the infinite neuron number limit, single-layer NNs can exactly reproduce QFT results. This paper examines the viability of this architecture for perturbative calculations of local QFTs for finite neuron number $N$ using scalar $\phi^4$ theory in $d$ Euclidean dimensions as an example. We find that the renormalized $O(1/N)$ corrections to two- and four-point correlators yield perturbative series which are sensitive to the ultraviolet cut-off and therefore have a weak convergence. We propose a modification to the architecture to improve this convergence and discuss constraints on the parameters of the theory and the scaling of N which allow us to extract accurate field theory results.
Authors: Hong Ye Tan, Stanley Osher, Wuchen Li
Abstract: We consider sampling from a Gibbs distribution by evolving finitely many particles. We propose a preconditioned version of a recently proposed noise-free sampling method, governed by approximating the score function with the numerically tractable score of a regularized Wasserstein proximal operator. This is derived by a Cole--Hopf transformation on coupled anisotropic heat equations, yielding a kernel formulation for the preconditioned regularized Wasserstein proximal. The diffusion component of the proposed method is also interpreted as a modified self-attention block, as in transformer architectures. For quadratic potentials, we provide a discrete-time non-asymptotic convergence analysis and explicitly characterize the bias, which is dependent on regularization and independent of step-size. Experiments demonstrate acceleration and particle-level stability on various log-concave and non-log-concave toy examples to Bayesian total-variation regularized image deconvolution, and competitive/better performance on non-convex Bayesian neural network training when utilizing variable preconditioning matrices.
Authors: Jeremy Bertoncini, Alberto De Marchi, Matthias Gerdts, Simon Gottschalk
Abstract: Quadratic programming is a workhorse of modern nonlinear optimization, control, and data science. Although regularized methods offer convergence guarantees under minimal assumptions on the problem data, they can exhibit the slow tail-convergence typical of first-order schemes, thus requiring many iterations to achieve high-accuracy solutions. Moreover, hyperparameter tuning significantly impacts the solver performance but how to find an appropriate parameter configuration remains an elusive research question. To address these issues, we explore how data-driven approaches can accelerate the solution process. Aiming at high-accuracy solutions, we focus on a regularized interior-point solver and carefully handle its two-loop flow and control parameters. We will show that reinforcement learning can make a significant contribution to facilitating the solver tuning and to speeding up the optimization process. Numerical experiments demonstrate that, after a lightweight training, the learned policy generalizes well to different problem classes with varying dimensions.
Authors: Weimin Wu, Xuefeng Song, Yibo Wen, Qinjie Lin, Zhihan Zhou, Jerry Yao-Chieh Hu, Zhong Wang, Han Liu
Abstract: We introduce Genome-Factory, the first integrated Python library for tuning, deploying, and interpreting genomic foundation models. Our core contribution is to simplify and unify the workflow for genomic model development: data collection, model tuning, inference, benchmarking, and interpretability. For data collection, Genome-Factory offers an automated pipeline to download genomic sequences and preprocess them. For model tuning, Genome-Factory supports both full and parameter-efficient fine-tuning across diverse genomic models. For inference, Genome-Factory enables both embedding extraction and DNA sequence generation. For benchmarking, we include two existing benchmarks and provide a flexible interface to incorporate additional benchmarks. For interpretability, Genome-Factory introduces an open-source biological interpreter based on a sparse auto-encoder. We validate the utility of Genome-Factory across three dimensions: (i) Compatibility with diverse models and fine-tuning methods; (ii) Benchmarking downstream performance using two open-source benchmarks; (iii) Biological interpretation of learned representations with DNABERT-2. These results highlight its practical value for real-world genomic analysis. GitHub: https://github.com/WeiminWu2000/Genome_Factory.
Authors: Valeria Pais, Luis Oala, Daniele Faccio, Marco Aversa
Abstract: The costs of generative model compute rekindled promises and hopes for efficient data curation. In this work, we investigate whether recently developed autoguidance and online data selection methods can improve the time and sample efficiency of training generative diffusion models. We integrate joint example selection (JEST) and autoguidance into a unified code base for fast ablation and benchmarking. We evaluate combinations of data curation on a controlled 2-D synthetic data generation task as well as (3x64x64)-D image generation. Our comparisons are made at equal wall-clock time and equal number of samples, explicitly accounting for the overhead of selection. Across experiments, autoguidance consistently improves sample quality and diversity. Early AJEST (applying selection only at the beginning of training) can match or modestly exceed autoguidance alone in data efficiency on both tasks. However, its time overhead and added complexity make autoguidance or uniform random data selection preferable in most situations. These findings suggest that while targeted online selection can yield efficiency gains in early training, robust sample quality improvements are primarily driven by autoguidance. We discuss limitations and scope, and outline when data selection may be beneficial.
Authors: Sasha Cui, Zhongren Chen
Abstract: Language models (LMs) are typically post-trained for desired capabilities and behaviors via weight-based or prompt-based steering, but the former is time-consuming and expensive, and the latter is not precisely controllable and often requires manual trial-and-error. While activation steering (AS) promises a cheap, fast, and controllable alternative to the two existing post-training methods, current AS techniques require hand-crafted prompt pairs or labor-intensive feature annotation, making them more inconvenient than the plug-and-play methods such as Reinforcement Learning (RL) and Supervised Fine-Tuning (SFT). We introduce Painless Activation Steering (PAS), a family of fully automated methods that make AS readily usable with any given labeled dataset, with no need for prompt construction, feature labeling, or human intervention. We evaluate PAS on three open-weight models (Llama3.1-8B-Instruct, DeepSeek-R1-Distill-8B, and Nous-Hermes-2) and 18 tasks; we find that PAS reliably improves performance for behavior tasks, but not for intelligence-oriented tasks. The introspective variant (iPAS) delivers the strongest causal steering effects (10.1% on Bias, 5.2% on Morality, and 34.8% on Alignment). We also show PAS delivers additional gains on top of In-Context Learning (ICL) and SFT. PAS constructs a fast, lightweight activation vector that can be cheaply trained, easily stored, and activated at will. Our results provide a characterization of where AS helps, where it fails, and how to deploy it as a practical, automated LM post-training option.
Authors: El Mahdi Chayti, Martin Jaggi
Abstract: Second-order optimization methods offer superior convergence rates but are often bottlenecked by the wall-clock cost of Hessian computation and factorization. In the moderate-dimensional regime where the full Hessian fits in memory, factorization $\mathcal{O}(d^3)$ typically dominates gradient evaluation $\mathcal{O}(nd)$, creating a synchronization barrier that negates the per-iteration progress of classical second-order methods. We propose the \emph{Split-Client} framework, which decouples optimization into parallel gradient and curvature processes. Unlike Lazy Hessian approaches, whose arithmetic-complexity analysis does not charge factorization time and whose optimal reuse frequency requires tuning, our method is fully \textbf{delay-adaptive}: its wall-clock complexity scales with the \emph{average} delay $\Bar{\tau}$, and it matches the optimally-tuned Lazy rate of $\mathcal{O}(\eps^{-3/2}\sqrt{\Bar{\tau}})$ without any tuning. For persistent curvature error, we provide a noise-adaptive schedule with $\widetilde{\mathcal{O}}(T^{-3/4})$ rate (on $E[\|\nabla f\|]^{3/2}$), recovering the rate that uniform-error analyses such as Kamzolov et al (2023) achieve via inflated regularization. Under a verifiable subspace-alignment condition, an additional \emph{structured} analysis based on the secant condition of L-BFGS gives a faster $\mathcal{O}(T^{-1})$ rate, with a hybrid theorem interpolating smoothly between the two regimes. We extend the framework to Subsampled Cubic Newton with adaptive batch sizes and an aggregate sampling budget linear in $T$. Experiments on two non-convex problems show wall-clock speedups of up to $800\times$ over Vanilla and $30\times$ over Lazy in the strongly factorization-dominated regime.
Authors: Pascal Bergstr\"a{\ss}er, Ryan Cotterell, Anthony W. Lin
Abstract: We study succinctness as a measure of the expressive power of transformers. Succinctness -- how compactly a formalism can describe a language relative to other formalisms -- is a classical notion in logic and automata theory. We prove that fixed-precision transformers are remarkably succinct: they can be exponentially more succinct than both linear temporal logic (LTL) and recurrent neural networks, and, by extension, state-space models, and doubly exponentially more succinct than finite automata. In other words, there exist families of languages describable by polynomial-size transformers whose smallest equivalent LTL formula or recurrent neural network is exponentially large, and whose smallest equivalent automaton is doubly exponentially large. We also establish matching upper bounds, showing that any fixed-precision transformer can be converted to an LTL formula with at most an exponential blow-up -- improving a prior doubly exponential translation. As a consequence of this succinctness, we show that basic verification problems for transformers, such as emptiness and equivalence, are provably intractable: specifically, EXPSPACE-complete.
Authors: Diego Martinez-Taboada, Tomas Gonzalez, Aaditya Ramdas
Abstract: The study of self-normalized processes plays a crucial role in a wide range of applications, from sequential decision-making to econometrics. While the behavior of self-normalized concentration has been widely investigated for scalar-valued processes, vector-valued processes remain comparatively underexplored, especially outside of the sub-Gaussian framework. In this contribution, we provide concentration bounds for self-normalized processes with light tails beyond sub-Gaussianity (such as Bennett or Bernstein bounds). We illustrate the relevance of our results in the context of online linear regression, with applications in (kernelized) linear bandits.
Authors: Tsubasa Harada, Yasushi Kawase, Hanna Sumita
Abstract: We study the repeated optimal stopping problem, in which the same optimal stopping instance with an unknown distribution is solved repeatedly over $T$ rounds. We aim to simultaneously achieve strong per-round performance guarantees relative to a given baseline and sublinear regret across all rounds. Our primary contribution is a comprehensive theoretical characterization of whether and when these two objectives are compatible. First, under standard semi-bandit feedback, we prove that maintaining the per-round guarantee forces regret of $\Omega(T / \log T)$. Second, even under full feedback, we show that requiring almost-sure satisfaction of the per-round guarantee in every round is incompatible with sublinear regret. Third, under full feedback, we propose a general algorithmic framework that achieves both sublinear regret and the per-round guarantee with high probability. Our framework applies to canonical problems, including the prophet inequality, the secretary problem, and their variants under adversarial, random, and i.i.d. input models. For example, in the repeated prophet inequality problem, our method guarantees that, with high probability in each round, its expected reward is at least that of the classical single-sample algorithm, which achieves a $1/2$ competitive ratio, while simultaneously ensuring $\tilde{O}(\sqrt{T})$ regret. Furthermore, we establish a regret lower bound of $\Omega(\sqrt{T})$ even in the i.i.d. model, which is nearly tight with respect to the number of rounds.
Authors: Mohammed Hilel, Yannis Karmim, Jean De Bodinat, Reda Sarehane, Antoine Gillon
Abstract: Digital Adoption Platforms (DAPs) have become essential tools for helping employees navigate complex enterprise software such as CRM, ERP, or HRMS systems. Companies like LemonLearning have shown how digital guidance can reduce training costs and accelerate onboarding. However, building and maintaining these interactive guides still requires extensive manual effort. Leveraging Large Language Models as virtual assistants is an appealing alternative, yet without a structured understanding of the target software, LLMs often hallucinate and produce unreliable answers. Moreover, most production-grade LLMs are black-box APIs, making fine-tuning impractical due to the lack of access to model weights. In this work, we introduce a Graph-based Retrieval-Augmented Generation framework that automatically converts enterprise web applications into state-action knowledge graphs, enabling LLMs to generate grounded and context-aware assistance. The framework was co-developed with the AI enterprise RAKAM, in collaboration with Lemon Learning. We detail the engineering pipeline that extracts and structures software interfaces, the design of the graph-based retrieval process, and the integration of our approach into production DAP workflows. Finally, we discuss scalability, robustness, and deployment lessons learned from industrial use cases.
Authors: Augusto B. Corr\^ea, Andr\'e G. Pereira, Jendrik Seipp
Abstract: A series of influential studies established that large language models cannot reliably solve even simple planning tasks. We show that the latest generation of frontier models overturns this conclusion. We evaluate three families of frontier LLMs on a challenging set of planning tasks based on the most recent International Planning Competition following rigorous evaluation guidelines: solutions are verified with a validation tool, tasks are freshly created to avoid data contamination, and performance is compared against state-of-the-art classical planners. On standard task descriptions, Gemini 3.1 Pro outperforms the strongest planner baseline (245 vs. 234 solved tasks out of 360), while GPT-5 achieves comparable performance to the baselines. When all semantic information is obfuscated from the descriptions to test for pure symbolic planning, performance degrades but Gemini 3.1 Pro remains competitive with the strongest baselines. A longitudinal comparison across model generations -- from GPT-3.5, which solves zero tasks, to GPT-5 -- reveals a striking upward trajectory. Frontier LLMs might finally be able to plan; the question now is how far this capability will extend.
Authors: Tim Schwabe, Maribel Acosta
Abstract: Join ordering is the NP-hard problem of selecting the most efficient order in which to evaluate joins (conjunctive, binary operators) in a database query. Because query execution performance critically depends on this choice, join ordering lies at the core of query optimization. Traditional approaches cast this problem as a discrete combinatorial search over binary trees guided by a cost model, but they have trade-offs between effectiveness and efficiency. We show that when the cost model is differentiable, query plans can be continuously relaxed into a soft adjacency matrix that represents a superposition of plans. This continuous relaxation, combined with differentiable constraints that enforce plan validity, enables a gradient-based search for low-cost plans within this relaxed space. Using a Graph Neural Network as the cost model, we demonstrate that this gradient-based approach can find comparable and even lower-cost plans compared to traditional discrete search methods on two different graph datasets. Furthermore, we empirically show that the runtime of this approach scales better than discrete search algorithms. We believe this first step towards gradient-based join ordering can lead to more effective and efficient query optimizers in the future.
Authors: Rulin Shao, Akari Asai, Shannon Zejiang Shen, Hamish Ivison, Varsha Kishore, Jingming Zhuo, Xinran Zhao, Molly Park, Samuel G. Finlayson, David Sontag, Tyler Murray, Sewon Min, Pradeep Dasigi, Luca Soldaini, Faeze Brahman, Wen-tau Yih, Tongshuang Wu, Luke Zettlemoyer, Yoon Kim, Hannaneh Hajishirzi, Pang Wei Koh
Abstract: Deep research agents perform multi-step research to produce long-form, well-attributed answers. However, most open deep research agents are trained on easily verifiable short-form QA tasks via reinforcement learning with verifiable rewards, which does not extend to realistic long-form tasks. We address this with Reinforcement Learning with Evolving Rubrics (RLER), where rubrics are constructed and maintained to co-evolve with the policy model during training. This allows the rubrics to incorporate newly explored information from search and contrasting model responses, enabling better fact checking and more discriminative on-policy feedback. Using RLER, we develop Deep Research Tulu (DR Tulu-8B), the first fully open model that is directly trained for open-ended, long-form deep research. Across four long-form deep research benchmarks in science, healthcare, and general domains, DR Tulu substantially outperforms existing open deep research agents (by 15.6% over Tongyi DR on average) and matches or exceeds proprietary deep research agents (by 0.7% over OpenAI DR on average), while being significantly smaller and cheaper per query (1000x cheaper than OpenAI DR per query).
Authors: Tal Shuster, Eliya Nachmani
Abstract: Recent neural audio codecs have achieved impressive reconstruction quality, typically relying on quantization methods such as Residual Vector Quantization (RVQ), Vector Quantization (VQ) and Finite Scalar Quantization (FSQ). However, these quantization techniques limit the geometric structure of the latent space, make it harder to capture correlations between features leading to inefficiency in representation learning, codebook utilization and token rate. In this paper we introduce Two-Dimensional Quantization (Q2D2), a quantization scheme in which feature pairs are projected onto structured 2D grids, such as hexagonal, rhombic, or rectangular tiling and quantized to the nearest grid values, yielding an implicit codebook defined by the product of grid levels, with codebook sizes comparable to conventional methods. Despite its simple geometric formulation, Q2D2 improves audio compression efficiency, with low token rates and high codebook utilization while maintaining state of the art reconstruction quality. Specifically, Q2D2 achieves competitive to superior performance in various objective and subjective reconstruction metrics, across extensive experiments in speech, audio and music domains compared to state of the art models. Comprehensive ablation studies further confirm the effectiveness of our design choices.
Authors: Pedro Santana
Abstract: Embodied agents, such as robots and virtual characters, must continuously select actions to execute tasks effectively, solving complex sequential decision-making problems. Given the difficulty of designing such controllers manually, learning-based approaches have emerged as promising alternatives, most notably Deep Reinforcement Learning (DRL) and Deep Imitation Learning (DIL). DRL leverages reward signals to optimize behavior, while DIL uses expert demonstrations to guide learning. This document introduces DRL and DIL in the context of embodied agents, adopting a concise, depth-first approach to the literature. It is self-contained, presenting all necessary mathematical and machine learning concepts as they are needed. It is not intended as a survey of the field; rather, it focuses on a small set of foundational algorithms and techniques, prioritizing in-depth understanding over broad coverage. The material ranges from Markov Decision Processes to REINFORCE and Proximal Policy Optimization (PPO) for DRL, and from Behavioral Cloning to Dataset Aggregation (DAgger) and Generative Adversarial Imitation Learning (GAIL) for DIL.
Authors: Rachit Chhaya, Anirban Dasgupta, Dan Feldman, Supratim Shit
Abstract: We introduce the first iterative algorithm for constructing a $\varepsilon$-coreset that guarantees deterministic $\ell_p$ subspace embedding for any $p \in [1,\infty)$ and any $\varepsilon > 0$. For a given full rank matrix $\mathbf{X} \in \mathbb{R}^{n \times d}$ where $n \gg d$, $\mathbf{X}' \in \mathbb{R}^{m \times d}$ is an $(\varepsilon,\ell_p)$-subspace embedding of $\mathbf{X}$, if for every $\mathbf{q} \in \mathbb{R}^d$, $(1-\varepsilon)\|\mathbf{Xq}\|_{p}^{p} \leq \|\mathbf{X'q}\|_{p}^{p} \leq (1+\varepsilon)\|\mathbf{Xq}\|_{p}^{p}$. Specifically, in this paper, $\mathbf{X}'$ is a weighted subset of rows of $\mathbf{X}$ which is commonly known in the literature as a coreset. In every iteration, the algorithm ensures that the loss on the maintained set is upper and lower bounded by the loss on the original dataset with appropriate scalings. So, unlike typical coreset guarantees, due to bounded loss, our coreset gives a deterministic guarantee for the $\ell_p$ subspace embedding. For an error parameter $\varepsilon$, our algorithm takes $O(\mathrm{poly}(n,d,\varepsilon^{-1}))$ time and returns a deterministic $\varepsilon$-coreset, for $\ell_p$ subspace embedding whose size is $O\left(\frac{d^{\max\{1,p/2\}}}{\varepsilon^{2}}\right)$. Here, we remove the $\log$ factors in the coreset size, which had been a long-standing open problem. Our coresets are optimal as they are tight with the lower bound. As an application, our coreset can also be used for approximately solving the $\ell_p$ regression problem in a deterministic manner.
Authors: Ralf R\"omer, Yi Zhang, Yuming Li, Angela P. Schoellig
Abstract: To teach robots complex manipulation tasks, a common approach is to fine-tune a pre-trained vision-language-action model (VLA) on task-specific data. However, since this recipe updates existing representations, it is unsuitable for long-term operation in the real world, where robots must continually adapt to new tasks and environments while retaining the knowledge they have already acquired. Existing continual learning methods for robotics commonly require storing previous data (exemplars), struggle with long task sequences, or rely on task identifiers for deployment. To address these limitations, we propose CLARE, a general, parameter-efficient framework for exemplar-free continual learning with VLAs. CLARE introduces lightweight modular adapters into selected VLA modules and autonomously expands the model only where necessary when learning a new task, guided by layer-wise feature similarity. During deployment, an autoencoder-based routing mechanism dynamically activates the most relevant adapters without requiring task labels. Through extensive experiments on the LIBERO benchmark and five real-world tasks, we show that CLARE achieves high performance on new tasks without catastrophic forgetting of earlier tasks, significantly outperforming even exemplar-based methods. Code, data, and videos are available at our website: https://tum-lsy.github.io/clare.
Authors: Gefan Yang, Frank van der Meulen, Stefan Sommer
Abstract: Inference in nonlinear continuous stochastic processes on trees is challenging, particularly when observations are sparse and the topology is complex. Exact smoothing via Doob's $h$-transform is intractable for general nonlinear dynamics. We propose Neural Backward Filtering Forward Guiding (NBFFG), a unified framework for both discrete transitions and continuous diffusions. Our method constructs a variational posterior by leveraging a proxy linear-Gaussian process. This proxy process yields a closed-form backward filter that serves as a guide, steering the generative path toward high-likelihood regions. We then learn a neural residual to capture the non-linear discrepancies. This formulation allows for an unbiased pathwise subsampling scheme, reducing the training complexity from tree-size dependent to path-length dependent. Empirical results show that NBFFG outperforms baselines on synthetic benchmarks, and we demonstrate the method on a high-dimensional inference task in phylogenetic analysis with reconstruction of ancestral butterfly wing shapes.
Authors: Yun Qu, Qi Wang, Yixiu Mao, Heming Zou, Yuhang Jiang, Weijie Liu, Clive Bai, Kai Yang, Yangkun Chen, Saiyong Yang, Xiangyang Ji
Abstract: Reinforcement learning enhances the reasoning capabilities of large language models but often involves high computational costs due to rollout-intensive optimization. Online prompt selection presents a plausible solution by prioritizing informative prompts to improve training efficiency. However, current methods either depend on costly, exact evaluations or construct prompt-specific predictive models lacking generalization across prompts. This study introduces Generalizable Predictive Prompt Selection (GPS), which performs Bayesian inference towards prompt difficulty using a lightweight generative model trained on the shared optimization history. Intermediate-difficulty prioritization and history-anchored diversity are incorporated into the batch acquisition principle to select informative prompt batches. The small predictive model also generalizes at test-time for efficient computational allocation. Experiments across varied reasoning benchmarks indicate GPS's substantial improvements in training efficiency, final performance, and test-time efficiency over superior baseline methods.
Authors: El Mahdi Chayti
Abstract: Momentum methods, such as Polyak's Heavy Ball, are the standard for training deep networks but suffer from curvature-induced bias in stochastic settings, limiting convergence to suboptimal $\mathcal{O}(\epsilon^{-4})$ rates. Existing corrections typically require expensive auxiliary sampling or restrictive smoothness assumptions. We propose \textbf{RanSOM}, a unified framework that eliminates this bias by replacing deterministic step sizes with randomized steps drawn from distributions with mean $\eta_t$. This modification allows us to leverage Stein-type identities to compute an exact, unbiased estimate of the momentum bias using a single Hessian-vector product computed jointly with the gradient, avoiding auxiliary queries. We instantiate this framework in two algorithms: \textbf{RanSOM-E} for unconstrained optimization (using exponentially distributed steps) and \textbf{RanSOM-B} for constrained optimization (using beta-distributed steps to strictly preserve feasibility). Theoretical analysis confirms that RanSOM recovers the optimal $\mathcal{O}(\epsilon^{-3})$ convergence rate under standard bounded noise, and achieves optimal rates for heavy-tailed noise settings ($p \in (1, 2]$).
Authors: Tunyu Zhang, Xinxi Zhang, Ligong Han, Haizhou Shi, Xiaoxiao He, Zhuowei Li, Hao Wang, Kai Xu, Akash Srivastava, Chengzhi Mao, Hao Wang, Vladimir Pavlovic, Dimitris N. Metaxas
Abstract: Diffusion large language models (DLLMs) have emerged as powerful generative models with the promise of fast text generation through parallel decoding. However, realizing this potential in practice remains challenging: reducing the number of decoding steps, typically causes a substantial degradation in output quality due to token factorization error. To alleviate this, we propose a self-distillation framework that trains a few-step student to match the generative trajectory of a full-step teacher. We theoretically and empirically show that trajectory-level supervision mitigates this factorization error, thereby enabling effective few-step decoding. We further incorporate Direct Discriminative Optimization (DDO), a reverse-KL objective that encourages mode-seeking toward the teacher's modes, yielding stronger performance on challenging reasoning tasks. Across reasoning and code-generation benchmarks, our method substantially narrows the gap between few-step and full-step decoding. The source code is available at https://github.com/Tyrion58/T3D.
Authors: Fan Chen, Sinho Chewi, Constantinos Daskalakis, Alexander Rakhlin
Abstract: We show that high-accuracy guarantees for log-concave sampling -- that is, iteration and query complexities which scale as $\mathrm{poly}\log(1/\delta)$, where $\delta$ is the desired target accuracy -- are achievable using stochastic gradients with subexponential tails. Notably, this exhibits a separation with the problem of convex optimization, where stochasticity (even additive Gaussian noise) in the gradient oracle incurs $\mathrm{poly}(1/\delta)$ queries. We also give an information-theoretic argument that light-tailed stochastic gradients are necessary for high accuracy: for example, in the bounded variance case, we show that the minimax-optimal query complexity scales as $\Theta(1/\delta)$. Our framework also provides similar high accuracy guarantees under stochastic zeroth order (value) queries, and an improved complexity result for sampling from finite-sum potentials.
Authors: Wael Hafez, Cameron Reid, Amit Nazeri
Abstract: Deployed reinforcement learning systems lack a principled runtime reliability theory. We close this gap by introducing Bipredictability, P, a closed form information theoretic metric that quantifies how efficiently a closed loop interaction between agent and environment converts uncertainty into shared predictability. P admits a provable classical bound P equal, smaller than 0.5, derived from Shannon entropy subadditivity, and responsive agency necessarily suppresses P below this ceiling, a structural prediction we term the informational cost of agency. Across 21 trained continuous control agents, we confirm this prediction empirically at P = 0.33 plus minus 0.02. The same suppression signature reproduces in language model dialogue, convolutional vision systems, and classical mechanical baselines, indicating that P captures a substrate independent property of agentic interaction rather than an algorithm specific artifact. The Information Digital Twin, IDT, a model agnostic architecture that computes P from the external interaction stream, detects 89.3% of coupling degradations against 44.0% for reward based monitoring, with 4.4 times lower latency. P provides the missing measurement layer for runtime reliability and closed loop self regulation in deployed autonomous systems.
Authors: Kalliopi Kleisarchaki
Abstract: The 2026 Formula 1 technical regulations introduce a fundamental change to energy strategy: under a 50/50 internal combustion engine / battery power split with unlimited regeneration and a driver-controlled Override Mode, the optimal energy deployment policy depends not only on a driver's own state but on the hidden state of rival cars. This creates a Partially Observable Stochastic Game that cannot be solved by single-agent optimisation methods. We present a tractable two-layer inference and decision framework. The first layer is a 40-state Hidden Markov Model (HMM) that infers a probability distribution over each rival's ERS charge level (four modes: H, M, L_harvest, L_derate), Override Mode status, and tyre degradation state from six publicly observable telemetry signals. The second layer is a Deep Q-Network (DQN) policy that takes the HMM belief state as input and selects between energy deployment strategies. We formally characterise the counter-harvest trap, a deceptive strategy in which a car deliberately suppresses observable deployment signals to induce a rival into a failed attack, and show that detecting it requires belief-state inference over both ERS level and the harvest/derate sub-mode. On synthetic races, the HMM achieves 96.8% ERS-level accuracy (random baseline 25%), classifies L_harvest vs. L_derate with 89.4% accuracy, and detects counter-harvest trap conditions with 96.3% recall. Pre-season analysis indicates circuit-dependent recharge availability (1.0x to 2.2x per lap) as the primary confound; Melbourne is the hardest-case validation environment. Baum-Welch calibration on 2026 race telemetry begins with the Australian Grand Prix (8 March 2026).
Authors: Gideon Popoola, John Sheppard
Abstract: Fairness in machine learning is predominantly evaluated through outcome-oriented metrics, such as Demographic parity, which measure whether predictions are statistically consistent across protected groups. However, these metrics cannot detect whether a model uses systematically different reasoning for different demographic groups, which violates procedural fairness principles. This problem is compounded by intersectionality, where models may appear fair on individual attributes (e.g., race) while exhibiting significant disparities for intersectional subgroups (e.g., race $\times$ gender), a phenomenon known as fairness gerrymandering. In this work, we introduce Multi-category Explanation Stability Disparity (MESD), a procedural fairness metric that quantifies disparities in explanation quality across intersectional subgroups formed by the Cartesian product of multiple protected attributes. MESD integrates three components, which are label-aware aggregation aligned with outcome-conditional fairness, empirical-Bayes shrinkage to stabilize estimates for small intersectional groups, and Conditional Value-at-Risk (CVaR) weighting to emphasize worst-case subgroup disparities. We integrate MESD within a multi-objective optimization framework (UEF) that jointly optimizes utility, outcome fairness, and procedural fairness using NSGA-II. We evaluated MESD and UEF on three benchmark datasets along with four state-of-the-art methods in several experiments, and we demonstrate that MESD reveals procedural disparities invisible to outcome metrics alone. We position our contribution within procedural justice theory and discuss implications for regulatory compliance and intersectional equity.
Authors: Sudip Laudari, Sang Hun Baek
Abstract: Geometric data augmentation is widely used in segmentation workflows, but polygon annotations are often assumed to remain valid after transformation. This assumption can fail in structured domains such as architectural floorplan analysis, where a region may contain an interior void encoded as part of a single ordered polygon chain. Cropping or clipping can remove bridge vertices in this chain, causing one semantic region to split into disconnected components. We propose a lightweight topology-preserving augmentation strategy that repairs missing adjacency relations in index space while preserving the original vertex order. The method adds minimal overhead and can be integrated into existing preprocessing workflows. Experiments show that the proposed approach achieves near-perfect Cyclic Adjacency Preservation (CAP) across common geometric transformations and improves annotation consistency in polygon-based segmentation.
Authors: Alireza Dadgarnia, Soroush Tabesh, Mahdi Nikdan, Michael Helcig, Eldar Kurtic, Maximilian Kleinegger, Dan Alistarh
Abstract: Quantization has become a standard tool for efficient LLM deployment, especially for local inference, where models are now routinely served at 2-3 bits per parameter. The state of the art is currently split into simple scalar quantization techniques, such as GPTQ or AWQ, which are widely deployed but plateau in accuracy at 3-4 bits per parameter (bpp), and "second-generation" vector- or trellis-quantized methods, such as QTIP, GPTVQ and AQLM, which push the accuracy frontier but are notoriously hard to implement and to scale. In this paper, we ask whether this gap is fundamental, or whether a carefully optimized $\textit{scalar}$ quantizer can recover most of it. We answer in the affirmative, by introducing GSQ (Gumbel-Softmax Quantization), a post-training scalar quantization method which jointly learns the per-coordinate grid assignments and the per-group scales using a Gumbel-Softmax relaxation of the discrete grid. GSQ matches the cardinality of the relaxation to the small number of levels available in the target bit-width regime (e.g., 3-8 levels for ternary and 3 bpp, respectively), making optimization tractable. Practically, on the standard Llama-3.1-8B/70B-Instruct models, GSQ closes most of the gap between scalar quantization and the QTIP frontier at 2 and 3 bits, while using a symmetric scalar grid with group-wise quantization, and thus remains compatible with existing scalar inference kernels. We further show that the same discrete-assignment optimization can be applied to practical GGUF K-Quant checkpoints: starting from publicly released GGUF models, GSQ improves accuracy while projecting the result back into the same deployment format. Finally, GSQ scales to trillion-scale Mixture-of-Experts models such as Kimi-K2.5, where vector-quantized methods are difficult to apply. The source code is publicly available at https://github.com/IST-DASLab/GSQ.
Authors: Zhixin Han, Yanzhi Zhang, Chuyang Wei, Maohang Gao, Xiawei Yue, Kefei Chen, Yu Zhuang, Haoxiang Guan, Jiyan He, Jian Li, Yitong Duan, Yu Shi, Mengting Hu, Shuxin Zheng
Abstract: Live future prediction refers to the task of making predictions about real-world events before they unfold. This task is increasingly studied using large language model-based agent systems, and it is important for building agents that can continually learn from the real world. It can provide a large number of prediction questions grounded in diverse real-world events, while preventing answer leakage. To leverage the advantages of future prediction, we present FutureWorld, a live agentic reinforcement learning environment that closes the training loop between prediction, outcome realization, and parameter updates. Specifically, we modify and extend verl-tool, resulting in a new framework that we call verl-tool-future. Unlike standard reinforcement learning training frameworks that rely on immediate rewards, verl-tool-future stores prediction-time rollouts, backfills rewards after real-world outcomes become available, and then replays the completed trajectories for policy update. Across three open-source agents, successive FutureWorld training rounds lead to consistent improvements in prediction accuracy, probabilistic scoring, and calibration, demonstrating that delayed real-world outcome feedback can serve as an effective reinforcement learning signal.
Authors: Kevin Riehl, Andres L. Marin, Nikofors Zacharof, Fan Wu, Patrick Langer, Robert Jakob, Anastasios Kouvelas, Georgios Fontaras, Michail A. Makridis
Abstract: Scientific peer review increasingly struggles to assess reproducibility at the scale and complexity of modern research output. Evaluating reproducibility requires reconstructing experimental dependencies, methodological choices, data flows, and result-generating procedures, which often exceeds what human reviewers can provide. Agentic Reproducibility Assessment (ARA) formalizes reproducibility assessment as a structured reasoning task over scientific documents. Given a paper, ARA extracts a directed workflow graph linking sources, methods, experiments, and outputs, then evaluates its reconstructability using structural and content-based scores for reproducibility assessments. Experiments on 213 ReScience C articles - the largest cross-domain benchmark of human-validated computational reproducibility studies considered to date - demonstrate ARA's generalizability and consistent workflow reconstruction and assessment across LLMs, model temperatures, and scientific domains. ARA achieves ~61% accuracy on three benchmarks, and the highest accuracy reported on ReproBench (60.71% vs. 36.84%) and GoldStandardDB (61.68% vs. 43.56%), highlighting its potential to complement human review at scale and enabling next-generation peer review. Code and Data available: https://github.com/AndresLaverdeMarin/agentic_reproducibility_assessment.
URLs: https://github.com/AndresLaverdeMarin/agentic_reproducibility_assessment.
Authors: Ting Sun, Junjie Zhang, Xiao Yan, Songxin Zhang, Zhuoyang Song, Jingyi Xi, Zunyao Mao, Bingyi Jing, Jiaxing Zhang, Zejian Xie
Abstract: Modern Large Foundation Model (LFM) training has transformed the data pipeline from a static ingestion layer into a dynamic component that must co-evolve with the training process. Existing systems are ill-equipped: colocated dataloaders offer no failure isolation, while message queue-based disaggregated dataloaders operate on a record/offset abstraction that cannot express the batch-level semantics required by distributed training. We present BatchWeave, an object-store-native training data plane for distributed LFM training. BatchWeave uses versioned manifests and conditional object writes to coordinate batch publication, recovery, and lifecycle management. First, it introduces the Transactional Global Batch (TGB), which builds on versioned-manifest ACID storage semantics and extends them with training-specific consistency, including atomic all-rank batch visibility, a globally ordered step sequence, checkpoint-aligned lifecycle management, and end-to-end exactly-once recovery. Second, it realizes recovery and retention directly in the storage layer, by durably persisting producer state through the commit protocol and tying reclamation to distributed checkpoint state. Third, its Decentralized Adaptive Commit (DAC) algorithm sustains stable ingestion throughput as the manifest grows, without any inter-producer communication. Evaluations on large-scale multimodal pre-training and SFT workloads using 64 GPUs show that BatchWeave outperforms colocated dataloader throughput while providing full failure isolation, outperforms Apache Kafka in ingestion throughput, and achieves lower consumer read latency than Kafka.
Authors: Ishpuneet Singh, Gursmeep Kaur, Uday Pratap Singh Atwal, Guramrit Singh, Gurjot Singh, Maninder Singh
Abstract: Continuous authentication in high-stakes digital environments requires datasets with fine-grained behavioral signals under realistic cognitive and motor demands. But current benchmarks are often limited by small scale, unimodal sensing or lack of synchronised environmental context. To address this gap, this paper introduces BEACON (Behavioral Engine for Authentication & Continuous Monitoring), a large-scale multimodal dataset that captures diverse skill tiers in competitive Valorant gameplay. BEACON contains approximately 430 GB of synchronised modality data (461 GB total on-disk including auxiliary Valorant configuration captures) from 79 sessions across 28 distinct players, estimated at 102.51 hours of active gameplay, including high-frequency mouse dynamics, keystroke events, network packet captures, screen recordings, hardware metadata, and in-game configuration context. BEACON leverages the high precision motor skills and high cognitive load that are inherent to tactical shooters, making it a rigorous stress test for the robustness of behavioral biometrics. The dataset allows for the study of continuous authentication, behavioral profiling, user drift and multimodal representation learning in a high-fidelity esports setting. The authors release the dataset and code on Hugging Face and GitHub to create a reproducible benchmark for evaluating next-generation behavioral fingerprinting and security models.
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~\citep{xie2025mhc,li2026siamesenorm,team2026attention}. This mismatch can make direct latent feedback unreliable. Motivated by this diagnosis, we propose \textbf{GAP}, a \textbf{G}ranular \textbf{A}lignment \textbf{P}aradigm 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: Jun He, Deying Yu
Abstract: Automated program synthesis lowers the cost of producing implementations but introduces a harder governance problem: determining which generated artifacts are admissible. Natural-language specifications are ambiguous, and example-based tests sample only part of the behavioral space. Used alone, neither provides a sufficient control boundary. We introduce Protocol-Driven Development (PDD), where the primary software artifact is a machine-enforceable protocol rather than code. We define a protocol as the triplet P = (S, B, O), specifying structural, behavioral, and operational invariants. Their conjunction defines the admissible implementation space of a software component. Under PDD, implementations are replaceable realizations discovered through constrained search. An implementation is admitted only if it satisfies the protocol and produces a verifiable Evidence Chain of compliance. Admission is grounded in protocol satisfaction and recorded evidence rather than trust in the generator. For deployed systems, we extend the Evidence Chain into a Dynamic Evidence Ledger. Runtime verifiers append signed observations, invariant checks, and violations to the ledger, allowing monitorable obligations to be continuously attested. This connects live failures back to the generation loop without granting the generator runtime authority. Combining formal methods, property testing, runtime verification, policy-as-code, and software provenance, PDD defines a governance model for automated software engineering. Its organizing principle is that code is transient, while the protocol carries durable authority.
Authors: Bingying Li, Haiyun He
Abstract: Knowledge distillation is widely used to improve generalization in practice, yet its theoretical understanding remains elusive. In the standard distillation setting, a teacher model provides soft predictions to guide the training of a student model. We model teacher and student training as coupled stochastic processes and introduce a distillation divergence, defined as the Kullback-Leibler divergence between these two stochastic kernels. Within this framework, we derive two generalization bounds for the student model relative to the teacher's generalization gap: an upper bound under a sub-Gaussian assumption via algorithmic stability, and a lower bound under a central condition with sharper dependence on the distillation divergence. We further develop a loss-sharpness-aware bound with an explicit tightness regime, showing that the teacher's local flatness can strictly tighten the bound. Additionally, in a linear Gaussian case study, the distillation divergence admits an interpretable decomposition into bias, variance, and rank-bottleneck costs, yielding practical guidance for distillation design.
Authors: Leo Milecki, Qingyu Hu, Bahram Jafrasteh, Mert R. Sabuncu, Qingyu Zhao
Abstract: Masked autoencoders (MAEs) have recently shown promise for self-supervised representation learning of resting-state brain functional connectivity (FC). However, a fundamental question remains unresolved: how should FC matrices be tokenized to align with the intrinsic modular organization of large-scale brain networks? Existing approaches typically adopt region-centric or graph-based schemes that treat FC as structurally homogeneous elements and overlook the large-scale network brain organization. We introduce NERVE (Network-Aware Representations of Brain Functional Connectivity via Bilinear Tokenization), a self-supervised learning framework that redefines FC tokenization by partitioning FC matrices into patches of intra- and inter-network connectivity blocks. Unlike image-based MAE, where fixed-size patches share a common tokenizer, FC patches defined by network pairs are heterogeneous in size and correspond to distinct functional roles. To resolve this problem, NERVE embeds FC patches through a novel structured bilinear factorization. This formulation preserves network identity and reduces parameter complexity from quadratic to linear scaling in the number of networks. We evaluate NERVE across three large-scale developmental cohorts (ABCD, PNC, and CCNP) for behavior and psychopathology prediction. Compared to structurally agnostic MAE variants and graph-based self-supervised baselines, the proposed network-aware formulation yields more stable and transferable representations, particularly in cross-cohort evaluation. Ablation studies confirm that the proposed bilinear network embedding and anatomically grounded parcellation are critical for performance. These findings highlight the importance of incorporating domain-specific structural priors into self-supervised learning for functional connectomics. Code is available at: https://github.com/leomlck/NERVE.
Authors: Mokshit Surana, Archit Rathod, Akshaj Satishkumar
Abstract: Large Language Models (LLMs) trained on web-scale corpora inherently absorb toxic patterns from their training data. This leads to toxic degeneration where even innocuous prompts can trigger harmful outputs. This phenomenon poses significant risks for real-world deployments. Thus, necessitating effective mitigation strategies that should maintain model utility while ensuring safety. In this comprehensive replication study, we evaluate the efficacy of DExperts (Decoding-time Experts), which is an inference-time mitigation technique that steers generation without requiring model retraining. We structured our research into three systematic phases: (1) establishing baseline toxicity measurements using RealToxicityPrompts on standard GPT-2 models; then (2) implementing and evaluating DExperts to mitigate explicit toxicity; and finally (3) stress-testing the method against implicit hate speech using the adversarial ToxiGen dataset. Our empirical results confirm that while DExperts achieves near-perfect safety rates (100%) on explicit toxicity benchmarks, it exhibits brittleness against adversarial, implicit hate speech, with safety rates dropping to 98.5%. Furthermore, we quantify a critical trade-off. The method introduces a 10x latency penalty (from 0.2s to 2.0s per generation), posing challenges for real-time deployment scenarios. This study contributes to the growing body of work on AI safety by highlighting the robustness gap between explicit and implicit toxicity mitigation. We emphasize the need for more sophisticated approaches that generalize across diverse hate-speech patterns without incurring prohibitive computational costs.
Authors: Ziang Gao, Pengqi Liu, Archer Yi Yang, Mouloud Belbahri, Jesse C. Cresswell, Masoud Asgharian
Abstract: Conformal prediction is often calibrated with a single pooled threshold, but this can hide cross-group heterogeneity in score distributions and distort group-wise coverage. We study this phenomenon through the population score distributions underlying split conformal calibration. First, we derive a conservation law and lower bound showing that pooled calibration incurs irreducible group-wise coverage distortion at a scale set by cross-group quantile heterogeneity. Second, we demonstrate that the two leading fairness definitions for conformal prediction, Equalized Coverage and Equalized Set Size, are fundamentally in tension. Third, we quantify the cost of moving between policies which treat groups separately or pool them. Experiments on synthetic and real data confirm the same bidirectional trade-off after finite-sample calibration. Our results show that, for the policy families studied here, calibration choice does not remove cross-group heterogeneity; it determines whether the resulting distortion appears in the coverage or size dimension, providing a principled lens for analyzing fairness-oriented calibration choices in practice.
Authors: Shen Lin, Jing Lin, Junhao Dong, Piotr Koniusz, Li Xu
Abstract: Machine unlearning in Vision-Language Models (VLMs) is typically performed at the image or instance level, making it difficult to precisely remove target knowledge without affecting unrelated semantics. This issue is especially pronounced since a single image often contains multiple entangled concepts, including both target concepts to be forgotten and contextual information that should be preserved. In this paper, we propose an interpretable concept-level unlearning framework for VLMs, which constructs a compact task-specific concept vocabulary from the forgetting set using a multimodal large language model. In addition to modality alignment, visual representations are decomposed into sparse, nonnegative combinations of semantic concepts, providing an explicit interface for fine-grained knowledge manipulation. Based on this decomposition, our method formulates unlearning as concept-level optimization, where target concepts are selectively suppressed while intra-instance non-target semantics and global cross-modal knowledge are preserved. Extensive experiments across both in-domain and out-of-domain forgetting settings demonstrate that our method enables more comprehensive target forgetting, better preserves non-target knowledge within the same image, and maintains competitive model utility compared with existing VLM unlearning methods.
Authors: Pengcheng Fang, Tengjiao Sun, Dongjie Fu, Xiaoyu Zhan, Yanwen Guo, Hansung Kim, Xiaohao Cai
Abstract: Sparse anchors provide a compact interface for human motion authoring: users specify a few root positions, planar trajectory samples, or body-point targets, while the system synthesizes the full-body motion that completes the under-specified intent. We present AnchorRoute, a sparse-anchor motion synthesis framework that uses anchors as a shared scaffold for both generation and refinement. Before generation, AnchorRoute converts sparse anchors into anchor-condition features and injects the resulting condition memory into a frozen Transition Masked Diffusion prior through AnchorKV and dual-context conditioning. This preserves the generation quality of the pretrained text-to-motion prior while learning sparse spatial control. After generation, the same anchors are evaluated as residuals: their timestamps define refinement intervals, and their residuals determine where correction should be concentrated. RouteSolver then refines the motion by projecting soft-token updates onto anchor-defined piecewise-affine interval bases. This couples generation-time anchor conditioning with residual-routed refinement under one anchor scaffold. AnchorRoute supports root-3D, planar-root, and body-point control within the same formulation. In benchmark evaluations, AnchorRoute outperforms prior sparse-control methods under the sparse keyjoint protocol and consistently improves anchor adherence across control families. The results show that the learned anchor-conditioned generator and RouteSolver refinement are complementary: the generator preserves text-motion quality, while RouteSolver provides a controllable path toward stronger anchor adherence.
Authors: Dinanath Padhya, Sajen Maharjan, Binita Adhikari, Ishwor Raj Pokharel
Abstract: Target speech extraction remains difficult for compact devices because monaural neural models lack spatial evidence and classical beamformers lose resolving power when the microphone aperture is only a few centimetres. We present IsoNet, a user-selectable audio-visual target speech extraction system for a compact 4-microphone array. IsoNet combines complex multi-channel STFT features, GCC-PHAT spatial cues, face-conditioned visual embeddings, and auxiliary direction-of-arrival supervision inside a U-Net mask estimation network. Three curriculum variants were trained on 25,000 simulated VoxCeleb mixtures with progressively difficult SNR regimes. On a hard test set spanning -1 to 10 dB SNR, IsoNet-CL1 achieves 9.31 dB SI-SDR, a 4.85 dB improvement over the mixture, with PESQ 2.13 and STOI 0.84. Oracle delay-and-sum and MVDR beamformers degrade the same mixtures by 4.82 dB and 6.08 dB SI-SDRi, respectively, showing that the proposed learned multimodal conditioning solves a regime where conventional spatial filtering is ineffective. Ablation studies show consistent gains from visual conditioning, GCC-PHAT features, and extended delay-bin encoding. The results establish a compact-array, face-selectable speech extraction baseline under controlled simulation and identify the remaining barriers to real deployment, especially phase reconstruction, multi-interferer mixtures, and simulation-to-real transfer.
Authors: Connor Douglas, Joel Persson, Foster Provost
Abstract: Off-policy evaluation (OPE) estimates the value of a target treatment policy (e.g., a recommender system) using data collected by a different logging policy. It enables high-stakes experimentation without live deployment, yet in practice accuracy depends heavily on the logging policy used to collect data for computing the estimate. We study how to design logging policies that minimize OPE error for given target policies. We characterize a fundamental reward-coverage tradeoff: concentrating probability mass on high-reward actions reduces variance but risks missing signal on actions the target policy may take. We propose a unifying framework for logging policy design and derive optimal policies in canonical informational regimes where the target policy and reward distribution are (i) known, (ii) unknown, and (iii) partially known through priors or noisy estimates at logging time. Our results provide actionable guidance for firms choosing among multiple candidate recommendation systems. We demonstrate the importance of treatment selection when gathering data for OPE, and describe theoretically optimal approaches when this is a firm's primary objective. We also distill practical design principles for selecting logging policies when operational constraints prevent implementing the theoretical optimum.