Authors: Yang Fu, Haomin Bao, Rohit Sonker, Xiaoyan Hu, Aravind Venugopal, Jeff Schneider, Jiayu Chen
Abstract: Offline reinforcement learning (RL) offers a promising route for developing plasma controllers from historical tokamak data, since online trial-and-error on real devices is costly and risky. However, progress in this direction remains difficult to measure due to the lack of a standardized offline RL benchmark for realistic multi-actuator, long-horizon plasma control problems in nuclear fusion. We introduce RL4F, an Offline Reinforcement Learning Benchmark for Plasma Control in Nuclear Fusion, providing closed-loop evaluation environments and baseline comparisons across four full-profile tracking tasks: rotation, density, temperature, and pressure. The dynamics function underlying the evaluation environment is built from historical discharge data from DIII-D, a real-world Tokamak. We evaluate a broad set of imitation learning and offline RL baselines under a unified protocol. We find that offline model-based RL methods obtain the best average performance on most objectives, although no single method dominates all tasks, highlighting the importance of dynamics modeling in complex, long-horizon plasma control tasks. To foster further research, we open-source the codebase, datasets, and evaluation framework, providing a benchmark not only for the fusion community but also for algorithm development in offline RL.
Authors: Roghayeh Taghavi, Aysa Hasanazde Bashkandi, Amir Ali Bengari, Mohammad Amin Raji, Mohammad Salahi Ardekani, Parisa Mardukhian, Parvaneh Rezaei, Ramin Mousa
Abstract: The emergence of machine learning and deep learning has revolutionized the efficiency of diagnostic, therapeutic, and administrative systems in healthcare. However, this rapid adoption has come at the cost of requiring significant computing power and energy consumption, as well as e-waste disposal and carbon emissions. One of the challenges of these models is choosing the right model for classification tasks. To this end, researchers attempt to identify the optimal model using their data through trial and error, which involves energy consumption and waste. The goal of this study is to develop a model-based recommender system for medical image classification. For this purpose, a data set was collected from 3,000 articles in the field of medical image classification. This dataset, publicly available under the name MedicalRec-Bench, contains over 5,000 records of models tested in various tasks, including Skin Cancer Classification, Tumour Classification, Wound Classification, Breast Cancer, and MRI classification. The dataset was evaluated in four different modes, depending on the number of features: MedicalRec I (5 features), MedicalRec II (9 features), MedicalRec III (11 features), and MedicalRec IV (18 features). Collecting all values for the features is challenging due to non-reporting by the authors; hence, the dataset contains significant amounts of missing values. The Medical Recommender System (MedicalRec) is a transformer-based model used for item recommendations in this study. This model achieved remarkable results in the evaluation on the dataset and in the evaluation with 12 base models. This model achieved a maximum HitRate@100 of 75.5%. The dataset and implementations are available through the GitHub link: https://github.com/Ramin1Mousa/MedicalRec
Authors: Zhaowen Fan
Abstract: Decentralized multi-agent swarm coordination on resource-constrained edge platforms remains fundamentally bottlenecked by the exponential scaling of joint action spaces and high-latency communication overhead. This paper introduces the Swarm Policy Interference Network (SPIN) framework, an architectural paradigm that bypasses these limitations by modeling swarm topologies as a compressed tensor network. We factorize the joint policy tensors of local multi-agent cliques into Matrix Product State (MPS) chains, reducing the computational complexity of evaluation from an exponential $O(n^m)$ wall to a strictly linear $O(m \cdot n \cdot \chi^2)$ constraint. To bridge local continuous spatial geometry with this discrete algebraic backend without requiring power-intensive online training loops, we introduce a decoupled, hybrid neuro-symbolic control pipeline. Local multi-layered neural networks operate as structural coordination encoders, pre-trained offline to nonlinearly map hand-engineered geometric descriptors into abstract environmental target measures. At runtime, edge agents execute instantaneous behavioral adaptations by applying the Radon-Nikod\'ym derivative directly as a zero-shot importance-reweighting filter. We validate the framework within a discrete-time multi-agent simulation sandbox spanning tracking, decentralized dispersion/area coverage, and multi-goal coordination regimes. Qualitative telemetry demonstrates that the integrated pipeline achieves stable target-directed motion, anti-collapse spatial spreading under decentralized constraints, and structured subgroup formation across multiple targets, providing a mathematically grounded route to tractable, low-power edge swarm intelligence.
Authors: Maria B{\aa}nkestad, Sanna Jarl, Jens Sj\"olund
Abstract: Gaussian processes with stationary kernels on bounded domains exhibit inflated posterior variance near the boundary. Despite being a long-recognized artifact in geostatistics and a source of over-exploration in Bayesian optimization, the causes and effects of boundary-induced acquisition bias are underexplored. We trace the root cause to a simple geometric mechanism: the truncation of the kernel correlation neighborhood at the domain boundary creates an observation-independent distortion that worsens with dimensionality. We show how this distortion manifests across three acquisition classes: variance maximization concentrates selections at the corners, whereas negative integrated posterior variance and expected predictive information gain move selections inward to axis-aligned interior shells. These patterns arise without reference to any objective function, meaning that acquisition behavior can be dominated by kernel geometry rather than the desired task-specific uncertainty. To quantify this, we introduce a function-free selection-profile diagnostic for arbitrary acquisitions, kernels, and bounded-domain geometries.
Authors: Truong Xuan Khanh
Abstract: Across machine learning, biology, and physics, independently evolving systems often converge toward strikingly similar high-level structures despite radically different microscopic details. Grokking circuits converge across random seeds, evolutionary lineages rediscover similar metabolic solutions, and renormalization flows approach common fixed points. We propose the Hierarchical Emergence Framework (HEF) as a candidate universality framework for such convergence phenomena. HEF models emergence as a phase transition in a mechanism landscape constrained by thermodynamic and information-theoretic laws. The framework introduces a critical energy threshold Ec separating an exploration regime with competing mechanisms from a convergence regime governed by a unique minimum-cost mechanism. Under structural assumptions, we prove physical feasibility, derive strict metric contraction, and establish convergence toward a unique fixed-point representation independent of initial conditions. We further connect this convergence structure to causal emergence through Effective Information and mechanism competition entropy. To test the framework, we study delayed generalization ("grokking") in modular arithmetic transformers across 111 experiments. We identify a reproducible empirical fingerprint of the Ec transition: the weight norm peaks systematically before grokking in 92% of runs. Normalized accuracy curves collapse onto a tanh kink (R^2=0.93) consistent with a Landau-Ginzburg universality class, and all grokked models converge to 0.9745+/-0.014 regardless of initialization, weight decay, or training fraction (ANOVA p>0.13). HEF is not presented as a universal theory of emergence, but as a falsifiable mathematical scaffold for studying convergence phenomena across complex systems.
Authors: Ahmed Abdulaal, Maruf Aytekin, Thilaga kumaran Srinivasan, Tomer Lancewicki
Abstract: Intelligent scaling of microservices in cloud platforms is crucial for mitigating escalating compute costs while avoiding service disruptions. Current solutions are limited to the univariate space, typically focusing on CPU usage alone to drive scaling decisions. Moreover, they address the problem as a purely forecasting task, focusing on prediction precision while neglecting the greater risks of underestimation and delays in system responsiveness. Alternative solutions are computationally complex, making them impractical for large-scale, real-time deployments. To address these challenges, we present STARIXNet, a lightweight neural network that guides resource allocation decisions in the multivariate space by capturing spatio-temporal relationships among multiple system metrics. STARIXNet models multiple quasi-dependent attributes, in particular the (S)easonal, (T)emporal, (A)uto-(R)egressive (I)ntegrated, and e(X)ogenous patterns, then implements an aggregation policy to finalize scaling decisions, prioritizing service stability, followed by cost-efficiency, over raw forecast accuracy. We empirically demonstrate the performance of STARIXNet by benchmarking against existing solutions in real-world settings. STARIXNet is deployed for critical production microservices at Walmart achieving tangible savings ranging from 10\% to 50\%, in addition to intangible benefits through improved service stability and customer experience.
Authors: Zesen Wang, Lijuan Lan, Yonggang Li, Chunhua Yang
Abstract: Accurate carbon emission monitoring is critical for climate policy and emerging regulatory mechanisms such as the EU Carbon Border Adjustment Mechanism, yet city-level high-frequency monitoring data remain extremely scarce, severely limiting data-hungry deep learning models. Time series generation is a natural remedy, but existing GAN and diffusion-based generators often provide limited explicit supervision for the domain structure of carbon emission data: they may match marginal distributional statistics while insufficiently preserving cross-variable correlations between CO$_2$ and co-emitted pollutants and meteorological factors, and tend to collapse the first-difference statistics of atmospheric measurements, producing sequences that are smooth on average but lack the realistic step-wise variability of the underlying signals. We propose TriHead-GAN, a Transformer-based adversarial framework whose triple-head discriminator jointly supervises three complementary aspects of the joint distribution: distributional authenticity via a Wasserstein critic, cross-variable dependency via leakage-free regression of the target variable, and step-wise temporal smoothness via adjacent-difference prediction. The generator combines global self-attention with local temporal convolution, per-step noise injection, and an anti-smoothing loss that matches first-difference statistics. Experiments on the self-collected Changsha Carbon dataset, two public carbon datasets (China, US), and the ETTh1 benchmark show that TriHead-GAN achieves favorable performance over mainstream baselines on the vast majority of settings, and that the resulting synthetic windows improve downstream forecasting accuracy in low-resource carbon monitoring scenarios.
Authors: Younghun Go, Jaehoon Han, Changyong Shin, Chuk Yoo, Gyeongsik Yang
Abstract: Key-value (KV) caching for shared prefixes is essential for high-throughput large language model (LLM) serving, but it faces critical challenges in emerging diffusion language models (DLMs). In DLMs, bidirectional attention means that updating any token dynamically alters the entire context and its corresponding KVs. Thus, existing caching techniques developed for LLMs, which assume that KVs remain invariant once computed, corrupt the shared prefix KVs. Our experiments show that applying these techniques to DLMs causes model accuracy to collapse to near zero. To unlock high-throughput DLM serving, we propose bidirectional prefix caching, bicache, the first KV caching technique for shared prefixes in DLMs. bicache is designed based on key observations from our comprehensive analysis: shared prefix KVs remain stable and reusable in shallow layers, while the depth of shallow layers depends on the fraction of shared prefix tokens in each request. Thus, bicache dynamically identifies a safe layer depth for reusing shared prefix KVs and eliminates redundant computation. Evaluations demonstrate that bicache significantly improves serving throughput by 36.3%-98.3% compared to existing techniques without accuracy collapse (only 0-1.8% difference).
Authors: Neel Tushar Shah, Manglam Kartik
Abstract: We present CARTOGRAPH, a verification layer for AI scientists that couples unresolved-subspace experiment steering (select), explicit ambiguity closure (resolve), and residual-based library inadequacy detection (refuse). Under a local linear-Gaussian bridge, raw unresolved projection is the isotropic unresolved Fisher-information trace, while CARTOGRAPH-A is the exact unresolved A-optimal rule; closed-form EIG and Box-Hill arise as local comparators rather than global equivalents. Across five testbeds, CARTOGRAPH-A beats raw projection 129W/0T/15L at d = 8 (p < 10^-21) in a replicated structured cascade. More distinctively, the framework tentatively identifies three out-of-library pharmacokinetic mechanisms and then revokes those identifications as residuals expose structural misfit, while one perturbed in-library control stays identified throughout. In low-dimensional pharmacokinetic and filtered EPA settings, near-ties against disagreement are predicted by theory and observed. Finally, in a retrospective audit of 40 positive claims from the published A-Lab autonomous materials system, the refuse guard flags all 4 claims later marked inconclusive under manual reanalysis while passing 32/36 confirmed claims. Code is available at https://github.com/ai4science-boed/cartograph.git
Authors: Tcharlies Bachmann Schmitz
Abstract: This paper extends MST-Direct, a Matching-via-Sinkhorn-Transport approach for multivariate geostatistical simulation, from the original bivariate, unconditional, small-grid formulation to multivariate, conditional, and large-grid settings. We address the three main limitations identified in the original work: (i) scalability beyond a few thousand nodes through a sparse, candidate-restricted Sinkhorn matcher with O(nC) memory complexity; (ii) extension to multiple variables by matching target value tuples onto an independent FFT-MA Gaussian backbone that reproduces a prescribed variogram; and (iii) hard-data conditioning by fixing observed data tuples at their spatial locations while conditioning the backbone through kriging. Because the transport plan remains a permutation of the target tuples, the multivariate joint distribution is preserved exactly. The method is validated using the same six-variate, heteroscedastic, strongly nonlinear reference distribution employed in Direct Multivariate Simulation (DMS), under both unconditional (200x200) and conditional (100x100, 200 hard-data samples) scenarios, and is benchmarked against the Projection Pursuit Multivariate Transform (PPMT). Results show that MST-Direct reproduces the joint distribution with zero histogram error, exactly honours hard data, and accurately reproduces the prescribed spatial correlation structure, whereas PPMT remains an approximation. Index Terms-Optimal transport, Sinkhorn algorithm, geostatistical simulation, multivariate simulation.
Authors: Bruce Changlong Xu, Lan Wu
Abstract: A modern post-training pipeline often writes one symbol for its policy, pi_theta, while evaluating it through two different programs: a training kernel optimized for autograd and an inference kernel optimized for low-precision, fused, dynamically batched serving. In finite precision, these kernels can induce different distributions at identical weights, with the gap concentrated on slices that aggregate benchmarks under-represent. This paper proposes kernel contracts: a contract-first framework for specifying acceptable divergence between K_train and K_inf. A contract C = (N, S, R, O, Pi) combines numerical, statistical, runtime, and observability clauses with an escalation policy from violations to routing actions. We derive a chain of bounds from logit drift to total-variation distance to bounded reward drift, and specialize it to RL post-training, where per-token importance-ratio drift yields a bound on policy-gradient bias under explicit support and norm assumptions. We also describe a four-stage promotion pipeline, online routing loop, and minimal YAML DSL for contract artifacts. This is a framework and vocabulary paper; we do not report production-scale empirical validation.
Authors: Joyjit Roy, Samaresh Kumar Singh, Laxmi Shaw
Abstract: Customer churn prediction is essential across data-driven industries such as insurance, digital banking, eCommerce, and subscription platforms, where retaining existing customers is typically more cost-effective than acquiring new ones. Predicting churn on structured datasets remains challenging due to class imbalance, nonlinear feature interactions, and heterogeneous feature types. Tree-based ensemble methods consistently demonstrate strong performance in these contexts, often outperforming conventional neural networks. This study introduces a validated hybrid architecture that integrates feature-tokenized transformers (FT-Transformer) with gradient-boosted trees through calibration-aware stacking. The proposed framework addresses persistent gaps in statistical validation, probability calibration, and reproducibility found in prior research. The FT-Transformer captures higher-order feature interactions using self-attention, while XGBoost captures gradient-boosted decision boundaries with complementary inductive biases. Class imbalance is handled using class-weighted loss functions, thereby avoiding synthetic oversampling and preserving minority-class distributions. The models are ensembled using out-of-fold (OOF) stacking with a logistic regression meta-learner, which recalibrates overconfident base model outputs and learns optimal combination weights. On a public bank churn dataset, the hybrid model achieves 62.10% F1, 0.861 AUC-ROC, and 0.647 PR-AUC, outperforming the Multi-Layer Perceptron (MLP) baseline by 3.37 F1 points and 0.027 AUC under 5x5 cross-validation with 95% confidence intervals reported. Ablation studies demonstrate that both the transformer component and stacking strategy contribute materially to performance. The proposed methodology offers a reproducible and extensible reference architecture for contemporary churn prediction on structured tabular data.
Authors: Lihui Liu, Mucun Sun, Caisheng Wang
Abstract: Self-healing smart grids can quickly adjust their network configuration during outages to minimize power disruptions. During an outage, several actions can be taken, such as network reconfiguration through switching operations and emergency load shedding. However, traditional machine learning methods for outage mitigation are not well suited for smart grids due to their slow response time and high computational cost. To address these challenges, recent studies have explored reinforcement learning to automatically perform network reconfiguration. In these approaches, the control policy is typically modeled using a graph neural network (GNN). However, conventional GNNs operate in the spatial domain and may fail to capture important relationships in the frequency domain. Frequency-domain information is particularly useful for modeling global structural patterns and system-wide interactions in power networks. In this paper, we propose a spectral graph reinforcement learning framework for outage management in distribution networks to enhance system resilience. Our model learns the optimal power restoration policy using a spectral graph neural network. We evaluate the proposed method on three modified IEEE test systems: the 13-bus, 34-bus, and 123-bus networks. Experimental results show that our approach achieves near-optimal performance in real time and generalizes well across a wide range of outage scenarios.
Authors: Jiajie Li, Erwei Wang, Zhiru Zhang, Samuel Bayliss
Abstract: Spatial neural processing units (NPUs) provide an energy-efficient platform for edge LLM inference, but efficiently deploying an LLM end-to-end on such hardware remains labor-intensive. Although AI coding agents have begun to lower this cost, existing studies have largely focused on single-kernel optimization rather than end-to-end LLM deployment on resource-constrained spatial NPUs. We present a two-stage methodology, instantiated on the AMD XDNA 2 NPU, that progresses from human-guided development to agent autonomy. In the first stage, we develop a reference deployment of Llama-3.2-1B through human-guided agent assistance. The resulting implementation achieves a speedup of 2.2x on prefill and 4.0x on decode over the hand-optimized baseline, with the optimization trajectory and its lessons recorded as structured documentation throughout. In the second stage, we distill the documentation into an agent skill system consisting of eight phases, orchestrating the optimization and debugging skill sets, with numerical correctness strictly enforced at each phase. Using our agent skill system, we autonomously deploy eight additional decoder-only LLMs (Llama-3.2-3B, SmolLM2-1.7B, Qwen2.5-{0.5B, 1.5B, 3B}, Qwen3-{0.6B, 1.7B, 4B}) end-to-end on the AMD XDNA 2 NPU using the open-source compiler stack. To our knowledge, these models have not previously been deployed on AMD NPUs via any open-source software stack. Each deployment completes in 0.5-4 hours of agent wall time with almost no human guidance, and passes the numerical-correctness gates, demonstrating functional generalization to previously unencountered LLMs. Three of the eight match or exceed the sustained performance of our Llama-3.2-1B reference deployment, suggesting that the resulting implementations can be competitive without additional model-specific human engineering.
Authors: Yifan Lu, Qiyue Zhang, Shenrun Zhang, Zhibo Yu, Zhuang Wang, Hanjie Chen, Jiarong Xing
Abstract: LLM routing has become a popular approach to improve the cost-quality trade-off of LLM services by dynamically selecting a model for each query. Recent work has explored a broad range of routing methods, including clustering-based routers, learned classifiers, pairwise ranking, and confidence-based approaches. Our extensive study of 21 routing methods across five benchmarks reveals a consistent phenomenon that we call the routing plateau: many methods, including kNN, achieve very similar accuracy and converge to a narrow performance range that remains far below the oracle router. Our investigation shows that the plateau is largely caused by a predictability bottleneck: current routers mainly learn global averaged model-performance trends rather than fine-grained query-specific routing signals. As a result, they solve overlapping easy queries but collectively fail on hard queries that require instance-specific routing decisions. We further study how to move beyond the plateau and find that larger training datasets, stronger encoders, and end-to-end fine-tuning can further improve routing accuracy. These findings characterize the common limits of current routing methods and provide insights and actionable directions for the community to build more effective routing systems.
Authors: Hrishikesh Paranjape, Abhishek Mandal, Xian Sun
Abstract: Sequential filtering pipelines are a common design pattern in large-scale systems, where a large population of items is progressively reduced by a sequence of stages that each incur cost. Despite their prevalence in ranking systems, cascaded machine learning inference, and fraud detection, filter ordering is often determined by heuristics without formal guarantees. We formalize sequential filtering under an expected-cost objective and prove that, under an independence model, ordering filters by increasing ratio of cost to rejection probability minimizes expected total cost. Extensive Monte Carlo simulations show that the optimal ordering strictly dominates common heuristics across all runs, both in expectation and across the full distribution of outcomes.
Authors: Wanghan Xu, Shuo Li, Tianlin Ye, Qinglong Cao, Yixin Chen, Hengjian Gao, Yiheng Wang, Qi Li, Kun Li, Sheng Xu, Shengdu Chai, Fangchen Yu, Xiangyu Zhao, Zhangrui Zhao, Weijie Ma, Zijie Guo, Haoyu Zhou, Haoxiang Yin, Lixue Cheng, Chaofan Hu, Haoxuan Li, Lu Mi, Xuxuan Xie, Yifan Zhou, Ruizhe Chen, Zhiwang Zhou, Xingjian Guo, Yuhao Zhou, Xuming He, Shengyuan Xu, Xinyu Gu, Jiamin Wu, Mianxin Liu, Chunfeng Song, Fenghua Ling, Dongzhan Zhou, Shixiang Tang, Yuqiang Li, Mao Su, Peng Ye, Siqi Sun, Bin Wang, Xue Yang, Zhenfei Yin, Tianfan Fu, Guangtao Zhai, Wanli Ouyang, Bo Zhang, Lei Bai, Wenlong Zhang
Abstract: AI coding agents are increasingly used for scientific work, but their end-to-end autonomous research capability remains difficult to verify. We present ResearchClawBench, a benchmark for evaluating autonomous scientific research across 40 tasks from 10 scientific domains. Each task is grounded in a real published paper, provides related literature and raw data, and hides the target paper during evaluation. Expert-curated multimodal rubrics decompose the target scientific artifacts into weighted criteria, enabling evaluation of target-paper-level re-discovery while leaving room for new discovery. We evaluate seven autonomous research (auto-research) agents under a unified protocol and seventeen native LLMs through the lightweight ResearchHarness. Current systems remain far from reliable re-discovery: the strongest autonomous agent, Claude Code, averages 21.5, and the strongest ResearchHarness LLM, Claude-Opus-4.7, averages 20.7, with an LLM frontier mean of only 26.5. Error analysis shows that failures concentrate in experimental protocol mismatch, evidence mismatch, and missing scientific core. ResearchClawBench provides a reproducible evaluation frontier for measuring progress toward autonomous scientific research.
Authors: Aditya Upadhyay
Abstract: Offline reinforcement learning requires careful conservatism to mitigate distribution shift, yet most existing methods apply a fixed penalty uniformly across all states regardless of local data coverage. We present UNIQ (Uncertainty-Informed Quantile), an offline RL method that introduces state-adaptive conservatism through conformally calibrated uncertainty estimation. Built on the Implicit Q-Learning (IQL) backbone, UNIQ trains a multi-expectile value ensemble, computes distribution-free uncertainty estimates using split conformal prediction, and maps the resulting signal to a state-dependent expectile that relaxes conservatism in well-covered regions while strengthening it in uncertain regions near the data frontier. On D4RL MuJoCo benchmarks, UNIQ consistently improves over IQL, with the largest gains observed on Walker2d and replay-heavy tasks. At the same time, UNIQ operates at near-IQL memory cost (approximately 250 MB peak VRAM), providing roughly a 10x reduction compared to EDAC. Rather than pursuing overall state-of-the-art performance, we position UNIQ as a practical mechanism contribution that improves the performance-efficiency trade-off in offline reinforcement learning.
Authors: Edward Sun, Dmitrii Troitskii
Abstract: Fine-tuning often introduces spurious correlations alongside task knowledge, causing systematic failures on underrepresented groups. Existing mitigations require retraining, group labels, or curated counterfactual data. We show a simple post-hoc intervention reduces shortcut reliance without any of these: truncating the tail of the SVD of $\Delta W = W_\mathrm{ft} - W_\mathrm{base}$ reduces the spurious-group gap while preserving task accuracy. Across three instruction-tuned models ($0.5$B--$7$B) and four classification benchmarks, top-$k$ truncation reduces the gap on every cell at $<2$ pp accuracy loss, by up to $5\times$ on CivilComments. We propose this works because the shortcut response sits in the tail of the singular ordering of $\Delta W$, a claim about how truncation behaves rather than about the raw singular values, which are broadly distributed and look the same across all four datasets. A controlled boundary case in which fine-tuning has only a shortcut to learn shows the predicted FT-to-base collapse, and bottom-/random-$k$ and matched-rank LoRA controls rule out generic low-rank approximation and rank-constrained training as the explanation. We read this as preliminary evidence that the singular basis of $\Delta W$ is a useful coordinate system for studying what fine-tuning has learned.
Authors: Kevin Zhou, Lisa Alazraki, Kris Cao, Marek Rei
Abstract: Pre-training data mixtures are commonly tuned by running small-scale experiments and extrapolating to the target training budget. When high-quality data is scarce and must be repeated, this extrapolation frequently fails, but the source of the failure has not been isolated. We show that a primary culprit is a repetition mismatch: because high-quality datasets are small, their repetition rate changes as the training budget grows, shifting the optimal mixture in ways that small-scale proxy experiments do not anticipate. A subsampling procedure that matches the target repetition rate controls for this effect. In a two-source setting combining limited high-quality data with web crawl, a single repetition-controlled experiment using only 1/16 of the target tokens recovers a mixture within 0.05 of the optimum for a 757M parameter model, compared to an error of 0.75 without repetition control. Achieving comparable accuracy without repetition control requires three to four horizons, consuming 44 to 94% of the target token budget. With three data sources, the larger mixture space requires more than a single experiment to constrain, but the approach remains effective: at the 757M scale, just two repetition-controlled horizons recover the optimal mixture, outperforming baselines that instead require the full two-source experiments to construct. Our results reveal that repetition dynamics, not scale alone, shape whether small-scale mixture experiments generalize. More broadly, they suggest that data repetition deserves treatment as a first-class variable in mixture optimization, rather than an inconvenient side effect of limited data.
Authors: Gopal Anantharaman
Abstract: We propose a topological framework for comparing trained Graph Neural Networks (GNNs) by mapping the Stochastic Block Models (SBMs) induced on the graphon-signal space of a Message Passing Neural Network (MPNN) onto the unit $n$-sphere $\sphere^{n-1}\subset\R^n$. The construction rests on three classical pillars: the \emph{compactness} of the cut-distance graphon space $(\Wo,\cutdist)$ \citep{lovasz2006limits,lovasz2012large}, the Frieze--Kannan \emph{weak regularity lemma} together with its graphon-signal extension due to \citet{levie2023graphon}, and the Lipschitz continuity of MPNNs with respect to the cut-distance. We show that, for any prescribed tolerance $\varepsilon>0$, a trained MPNN $\Phi$ acting on a sufficiently large graph factors (up to $\varepsilon$) through a step-graphon-signal of bounded complexity, and we construct an explicit measure-preserving map $\Psi_n\colon[0,1]\to\sphere^{n-1}$ that places the SBM regions on disjoint spherical caps. This produces a problem-agnostic, low-dimensional ``fingerprint'' of a trained GNN that is amenable to visual inspection and to nearest-neighbour search across model zoos, enabling \emph{transfer-learning candidate retrieval} without retraining. We discuss the obstruction posed by concentration of measure in high dimension -- a phenomenon directly relevant to LLM-scale embeddings. We close with five concrete future research directions: hyperbolic and Grassmannian alternatives to the spherical model, Gromov--Wasserstein distances on graphon-signals as an isometry-free alternative to the $n$-sphere map, an information-geometric (Fisher) reformulation of the SBM manifold, persistent-homology fingerprints of layer-wise embedding clouds, and a spectral-distance baseline derived from the graphon eigendecomposition.
Authors: Hongxu Ma, Lin Wang, Chenghou Jin, Han Zhou, Jie Zhang, Xiaoyu Yang, Chunjie Chen, Jihong Guan, Shuigeng Zhou
Abstract: Ordinal Regression (OR) aims to predict target values with inherent order, underpinning critical applications across diverse domains, from recommender systems to computer vision. Though having evolved from naive regression to discretization-based classification and generation, existing paradigms remain fundamentally constrained by quantization artifacts and the lack of global ordinal topological perception. These methods typically enforce rigid boundary delineations, failing to capture the non-stationary semantic transitions inherent to ordinal data. In this paper, we propose a novel paradigm where OR is formulated as a Continuous Generative Ordinal Regression task. Under the novel paradigm, we introduce DiffOR, a unified framework that leverages diffusion models to recover continuous ordinal values via iterative denoising, thereby enabling the dynamic learning of soft semantic transitions. To explicitly preserve ordinal topology, we devise a Dual-Decoupling Strategy: Spatially, Multi-scale Increment Aggregation decomposes targets into hierarchical continuous increments; Temporally, Dynamic Denoising Perception synchronizes denoising steps with feature frequencies, ensuring robust coarse-to-fine refinement. Theoretically, we show that the proposed method can significantly enhance both representation capability and mechanistic interpretability. Extensive experiments on 12 benchmarks across four domains validate DiffOR's consistent superiority over state-of-the-art methods, establishing a new standard that demonstrates strong potential as a general-purpose solution for universal ordinal regression.
Authors: Albert Alcalde, Zhengping Ji, Enrique Zuazua
Abstract: We formulate data propagation through the Transformer, the machine learning architecture powering large language models, as a nonlinear control system on the space of probability measures. For the mean-field Transformer model with self-attention and affine feed-forward layers, we prove that Gaussian distributions remain exactly Gaussian along the induced flow. This invariance reduces the infinite-dimensional measure dynamics to a finite-dimensional bilinear control system governing the evolution of the mean and covariance, reformulates the expressive capacity of Transformers as a reachability problem for prescribed Gaussian moments, and reveals a novel connection with Riccati-type equations from classical filtering and control. For time-varying controls, we prove exact finite-time reachability of any target Gaussian distribution whose covariance matrix has the same rank as the initial one, this rank constraint being an intrinsic invariant of the dynamics. For time-invariant parameters, we derive explicit spectral conditions leading either to asymptotic stability toward positive-definite equilibria or to finite-time blow-up of the covariance. Numerical experiments complement the theory by showing that practical Transformers with Gaussian inputs remain close to moment-matched Gaussian distributions through early and intermediate layers, while Transformers with prescribed attention matrices reproduce the predicted covariance regimes: bounded evolution in stabilizing configurations and blow-up in destabilizing ones.
Authors: Jeongun Ha, Sanga Yoon, Donghun Lee
Abstract: We introduce the Laplace-Fourier Neural Operator (LFNO), a unified framework for modeling dynamical systems across transient and steady-state regimes by integrating the spectral advantages of Laplace and Fourier Neural Operators. LFNO employs a dual-branch architecture that explicitly decomposes system dynamics into transient and steady-state components. We evaluate LFNO on nine benchmarks, including three ODE systems (Duffing, Lorenz, and Pendulum) and six PDE systems (Euler-Bernoulli beam, Heat, Reaction-diffusion, Brusselator, Burgers, and Navier-Stokes). LFNO significantly outperforms existing operators on ODE systems, where transient dynamics dominate, and consistently surpasses LNO while achieving performance competitive with FNO on PDE benchmarks. Furthermore, LFNO offers improved stability and physical interpretability through its component-wise decomposition. These results demonstrate that LFNO provides a robust and unified approach for learning complex dynamical systems across multiple temporal scales.
Authors: Yuhuan Yuan, Zhouliang Yu, Minghao Liu, Weiyang Liu, Ge Lin Kan
Abstract: LLM-based LEGO assembly generation requires both semantic grounding and physical feasibility. We identify a data-induced failure mode, PhysHack, in which the assemblies satisfy physical-validity constraints while producing structures that are geometrically misaligned, semantically inconsistent, or poorly calibrated. To address this challenge, we propose a model-based data selection approach that uses only a small fraction of the training data while improving physically grounded LEGO assembly generation. Building on the selected trajectories, we introduce PVPO, a sample-efficient reinforcement learning method that couples physical feasibility with voxel-space geometric rewards. Our results show that physical validity alone is an insufficient proxy for reliable physical reasoning: models can learn to generate valid structures without preserving semantic or geometric fidelity. Experiments across model backbones and test-time scaling settings demonstrate that PVPO improves structural and semantic alignment, physical validity, structural stability, and calibration, while reducing reliance on extensive post-hoc rejection sampling. In particular, results on calibration show that PVPO mitigates PhysHack by making test-time selection more predictive of semantic and structural quality.
Authors: Bowen Ren, Heyan Huang, Yinghao Li, Yang Gao
Abstract: Large language models (LLMs) exhibit strong reasoning capabilities, yet most LLM-based agents are statically deployed and unable to improve through task interactions. Existing experience-driven methods often rely on memory or heuristics without enhancing the model's ability to learn, treating it as a passive executor and leading to early performance plateaus and limited long-term improvement. To address this issue, we propose MetaEvo, a two-stage framework for continual agent evolution that focuses on improving how the model learns from tasks experience, rather than solely on what it stores. MetaEvo first applies preference-based optimization to enhance the model's ability of principle abstraction, then enables the accumulation and reuse of these principles within a modular agent architecture. Experimental results on diverse reasoning benchmarks demonstrate that MetaEvo consistently outperforms strong baselines, maintains reliable improvement across iterations. These findings validate the effectiveness of meta-optimization in enabling agents to learn from experience and continually enhance their reasoning capabilities.
Authors: Harry Jake Cunningham, Nicola Muca Cirone
Abstract: Analyzing attention weights has become a standard approach for interpreting the information flow of Large Language Models (LLMs). However, this approach has significant limitations as it neglects the geometric properties of the value vectors being aggregated. To address this gap, we introduce \emph{Contribution Weights}, a projection-based metric that quantifies a token's influence by accounting for it's attention weight, value magnitude, and directional alignment with the layer output. We demonstrate that contribution weights provide a more faithful measure of token importance, consistently outperforming attention-based metrics in identifying semantically critical tokens across different decoder-only models, tasks, and datasets. Further, our metric enables novel mechanistic analysis of \emph{attention sinks}. While previous work characterized sinks as passive repositories for excess attention, we reveal they serve an active functional role, suppressing information through a convex relationship between sink rate and output norm, stabilizing representations by opposing the semantic drift of low-confidence tokens.
Authors: Jufang Duan, Shenglong Xiao, Yuren Zhang
Abstract: Fine-grained time series data with high temporal resolution is critical for accurate analytics across a wide range of applications. However, the acquisition of such data is often limited by cost and feasibility. This problem can be tackled by reconstructing high-resolution signals from low-resolution inputs based on specific priors, known as super-resolution. While extensively studied in computer vision, directly transferring image super-resolution techniques to time series is not trivial. To address this challenge at a fundamental level, we propose Super-Resolution for Time series (SRT), a novel framework that reconstructs temporal patterns lost in low-resolution inputs via disentangled rectified flow. SRT decomposes the input into trend and seasonal components, aligns them to the target resolution using an implicit neural representation, and leverages a novel cross-resolution attention mechanism to guide the generation of high-resolution details. We further introduce SRT-large, a scaled-up version with extensive pre-training, which enables strong zero-shot super-resolution capability. Extensive experiments on nine public datasets demonstrate that SRT and SRT-large consistently outperform existing methods across multiple scale factors, showing both robust performance and the effectiveness of each component in our architecture.
Authors: Ling Wang, Xiaolong Li, Hui Zhou, Jing Shi, Fuhao Zhang, Dapeng Chen, Nan Mu
Abstract: Very low birth weight infants (VLBWI) are at high risk of mortality and severe neurodevelopmental impairment, including cerebral palsy, yet reliable discharge-time prognostic stratification remains challenging in high-dimensional and data-limited clinical settings. To address this problem, we propose QDSP, an interpretable structured learning framework that integrates Quota-guided Subspace Sampling (QSS) and Differentiable-decision-guided Structure Perception (DSP). The QSS module constructs stability-aware and low-redundancy feature subspaces through bootstrap-based feature consistency estimation, whereas the DSP module employs differentiable soft oblique decision structures to model nonlinear clinical interactions while preserving traceable decision evidence. The proposed framework was evaluated on a real-world VLBWI cohort comprising 51 infants and further validated on three public medical tabular datasets. On the primary cohort, QDSP achieved an accuracy of 0.9200 and an AUC of 0.9714, outperforming representative machine learning and deep tabular learning baselines, including XGBoost, TabNet, and TabPFN. Across external datasets, QDSP maintained competitive discrimination and calibration under varying sample sizes and clinical distributions. In addition, SHAP-based analyses and differentiable decision-path tracing identified clinically relevant predictors, including cystic periventricular leukomalacia (cPVL) and birth weight, consistent with established neonatal pathophysiological evidence. These results suggest that QDSP provides an interpretable and robust framework for discharge-time risk stratification in VLBWI and may support early individualized clinical decision-making in neonatal intensive care settings.
Authors: Shasha Zhou, Mingyu Huang, Ke Li
Abstract: Advances in machine learning and computational power have unlocked the predictive potential of the human genome, yet biologists now demand that these models also elucidate the underlying biological mechanisms. While interpretable machine learning (IML) techniques have been increasingly applied to bridge this gap, there has been a pervasive reliance on anecdotal validation: the vast majority of research relies on a single IML method and reports only isolated successful instances. Through a benchmarking study on transcription factor binding, we demonstrate the risks of current practices. We show that different IML methods can often (1) yield contradictory explanations for the same predictions, (2) fail to localize known regulatory motifs, and (3) fail to faithfully reflect the model's internal decision process. In light of this, we argue for a validation framework analogous to clinical trials: just as trials require rigorous design and adverse-event reporting, genomic interpretability must move beyond cherry-picked plausibility toward systematic assessment of consistency, faithfulness, and biological validity. To facilitate this, we propose a tiered framework to guide rigorous evaluation and reporting of genomic IML methods.
Authors: Argyrios Gerogiannis, Yekaterina Yegorova, Mark Hasegawa-Johnson, Venugopal V. Veeravalli
Abstract: State-of-the-art GRPO-style methods for speech-aware large language model post-training suffer from coarse credit assignment, broadcasting the same terminal-reward advantage to every token in a response. This ignores useful structure within rollout batches, where speech-conditioned completions often share prefixes before diverging at important decisions. We propose Low-rank Exploration with Adaptive Forking (LEAF), a retrospective tree-based RL method that recovers this structure without online branching or additional decoding. LEAF samples complete responses, selects high-surprisal boundaries, groups responses by shared prefixes, and assigns span-level advantages using descendant rewards. We theoretically justify LEAF's span-level credit assignment and boundary-selection design. Empirically, LEAF improves over GRPO across speech question answering and speech translation benchmarks under the same rollout and low-rank adaptation budget. Notably, smaller LEAF-trained models outperform current state-of-the-art, full-parameter baselines.
Authors: Vanesa Jord\'a, Miguel Ni\~no-Zaraz\'ua
Abstract: Reliable measurement of income and consumption is essential for monitoring poverty and inequality in low- and middle-income countries, yet full household surveys are costly and difficult to implement regularly. This paper examines whether reduced survey instruments can preserve key distributional information. We apply Random Forest Recursive Feature Elimination (RF-RFE) to the 2018/19 Nigeria General Household Survey-Panel to identify the income sources, consumption categories and household characteristics that best classify individuals within the welfare distribution. The analysis focuses on three outcomes: poverty status, location in the quintile distribution and position relative to the Gini-based inequality line. The survey's post-planting and post-harvest periods allow us to assess performance under different seasonal contexts. Results show that RF-RFE achieves strong classification accuracy with few predictors. For consumption, poverty status and inequality-line position are accurately predicted using a small set of expenditure categories, while quintile classification reaches about 80 percent accuracy for seasonal consumption and 60--65 percent for annual consumption predicted from a single seasonal visit. For income, poverty status reaches around 90 percent accuracy with five predictors, and inequality-line position is largely captured by labour earnings. The findings suggest that machine-learning methods can help improve survey design and reduce data requirements while retaining much of the distributional information needed to measure and monitor poverty and inequality.
Authors: Salem Ameen, Sunil Vadera
Abstract: Deep neural networks often contain redundant hidden units. Removing individual weights can reduce parameter count, but unstructured sparsity is not always easy to exploit in standard dense implementations. This paper develops a structured pruning framework in which complete neurons are removed using multi-armed bandit (MAB) algorithms. Each candidate neuron is treated as an arm; pulling an arm temporarily masks that neuron, measures the change in loss on a sampled mini-batch, restores the neuron, and updates an estimate of its safe-removal reward. The framework supports stochastic policies, including Epsilon-Greedy, Softmax, UCB1 and Thompson Sampling, and multiplicative-weight policies, including Hedge-style multiplicative weights and EXP3. We evaluate the method on tabular classification, tabular regression and deep neural-network benchmarks covering image, text and reasoning tasks. Statistical comparisons using the Friedman test followed by the Nemenyi post-hoc test show significant differences between methods. On tabular classification tasks, UCB1 obtains the highest mean rank among pruning policies and improves on the unpruned neural network. On regression tasks, UCB1 obtains the highest mean rank and is statistically competitive with, or superior to, several standard regression models according to R^2. On deep-learning tasks, UCB1 and Thompson Sampling obtain the strongest ranks, and several MAB policies significantly outperform the unpruned model, magnitude-based neuron pruning and greedy activation-variation pruning. The results show that MAB-based neuron pruning is an effective and computationally practical approach for structured model reduction.
Authors: Sang Truong, Yuheng Tu, Rylan Schaeffer, Sanmi Koyejo
Abstract: Scaling laws provide a fundamental framework for understanding the performance of Language Models (LMs), yet deriving them requires prohibitively expensive evaluations across thousands of checkpoints or millions of inference samples. To address this, we introduce Item Response Scaling Laws (IRSL), a unified framework that integrates Item Response Theory (IRT) within the scaling law framework. Unlike traditional approaches that treat each model-benchmark pair in isolation, IRSL disentangles latent model ability from question characteristics, factorizing the scaling law estimation for $M$ models and $N$ questions to significantly reduce parameter complexity from $O(M \times N)$ to $O(M + N)$. We instantiate IRSL with Beta-IRT, which leverages the empirical probability responses of LMs -- such as token probabilities in pre-training and pass rates in test-time sampling -- to capture richer signals than binary responses. We validate our approach across two prevalent scaling paradigms: (1) pre-training downstream scaling, using 6,612 LM checkpoints and 37,682 questions from 10 benchmarks; and (2) test-time scaling, using 12 LMs and 120 questions from 4 benchmarks with up to 2,500 samples per question. Given a one-time calibration on existing model responses, IRSL yields more reliable scaling estimates using only 50 questions per benchmark (a 99.9\% reduction), achieving comparable or superior decision accuracy to traditional approaches. Furthermore, we show that the estimated latent model abilities are generalizable, enabling accurate performance forecasting across benchmarks that share the same measurement objective.
Authors: Hwiyeong Lee, Ingyu Bang, Uiji Hwang, Hyelim Lim, Taeuk Kim
Abstract: While sparse autoencoders provide features more interpretable than individual neurons, reliably characterizing them remains challenging. We propose Query Lens, which extends Logit Lens to enable more comprehensive and faithful interpretations of sparse features. By jointly considering encoder-side key features and decoder-side value features, we identify both the inputs that activate a feature and the outputs it promotes. We also account for indirect, module-mediated effects that arise when the feature is processed by downstream modules, going beyond the direct effect captured by Logit Lens. In experiments, we find that Query Lens yields coherent token signatures for features that remain uninterpretable under Logit Lens. Finally, we propose the Subspace Channel Hypothesis, suggesting that downstream modules read features through layer-specific subspaces.
Authors: Li Lin, Xiaojun Wan
Abstract: NVFP4 is a recently introduced hardware-supported FP4 format that improves the fidelity of 4-bit quantization through fine-grained block scales. However, existing NVFP4 scale initialization methods still primarily rely on AbsMax initialization, which leaves a noticeable gap to the optimal solution. To address this, we propose ScaleSweep, a simple and efficient scale optimization method that sweeps over feasible block scale candidates and selects the candidate that minimizes a target objective. We further provide a theoretical analysis of NVFP4 quantization and derive both lower and upper bounds for the required sweep range under mean square error (MSE) and weighted mean square error (WMSE) between the original tensor and the quantized reconstructed tensor. The proposed bounds substantially reduce the sweep space while preserving the optimal candidate, enabling negligible overhead compared with the baseline quantization operators. Experiments on Llama and Qwen models demonstrate that ScaleSweep consistently improves quantization performance over existing initialization methods and further narrows the gap to full precision. In particular, under aggressive end-to-end quantization of weights, activations, KV cache, and query states, ScaleSweep preserves more than 93% of the full-precision performance.
Authors: Tal Weissblat
Abstract: We present a Graph Neural Network (GNN) framework for the classification of finite groups according to their solvability. Using graph representations associated with finite groups, including Cayley graphs (CG), the proposed model is trained to distinguish solvable and non-solvable groups using structural graph information alone. The framework is evaluated on groups outside the training dataset in order to investigate the extent to which GNNs can learn algebraic properties arising in group theory. More broadly, the present work explores the relationship between algebraic structure and graph-based geometric representations of finite groups. The present study is intended as a proof-of-concept investigation of whether GNNs can learn algebraic properties of finite groups from graph-based representations
Authors: Amir Hossein Shahdadian, Ahmed M. Abdelmoniem, Mahdi Taheri, Samira Nazari, Christian Herglotz
Abstract: Edge services increasingly use federated learning to personalize on-device models while keeping sensitive data local. In practice, deployments must handle heterogeneity in both client resources and local data distributions. Model-heterogeneous federated learning lowers client cost by allowing each client to train a subnet of a shared supernet, but most subnet-allocation policies are driven by device constraints and do not explicitly account for statistical heterogeneity. This paper proposes Heterogeneity-Aware Subnet Allocation (HASA), a train-only rule that assigns subnet widths based on client heterogeneity scores computed from local training data while enforcing a fixed size-weighted compute budget. This design enables budget-matched comparisons with alternative allocation policies. On an article-title next-word prediction benchmark with seven clients, HASA improves unweighted mean client test accuracy over uniform allocation across 10 matched seeds, increasing mean client test accuracy from 13.82 percent to 14.32 percent, and improves worst-client accuracy on average. In a matched-budget comparison with representative partial-training baselines, HASA achieves the strongest worst-client and tail-client accuracy on this benchmark. A directionality ablation shows that assigning smaller subnets to more heterogeneous clients degrades both mean and tail performance. A cross-domain image-classification study further shows that the effectiveness of heterogeneity-aware allocation depends on how well the heterogeneity score reflects clients' need for additional model width.
Authors: Juhwan Lee, Seokbin Yoon, Keumjin Lee, Hojong Baik, Seyeon Jung
Abstract: Accurate passenger queue forecasting in airport terminals is essential for efficient departure operations, as it enables proactive congestion management. However, time-varying passenger demand and heterogeneous facility usage across multiple departure facilities make forecasting challenging. In this work, we propose a passenger queue forecasting framework that learns historical passenger flow patterns from operational data. The proposed model employs a Transformer-based architecture to capture temporal dependencies and inter-facility correlations using past queue length and waiting time at departure gates and security checkpoints, together with passenger throughput at check-in islands. The learned representations are mapped to two facility-specific MLP heads to predict queue length and waiting time at departure gates and security checkpoints. Experimental results demonstrate accurate forecasts up to two hours ahead. The proposed approach offers practical real-time decision support for proactive queue management and staff reallocation in airport terminal operations.
Authors: Faruk Alpay, Hamdi Alakkad
Abstract: This paper develops a model-theoretic framework for verifying context-conditioned language-model behavior by replacing benchmark labels with finite semantic certificates. The first problem is finite determinacy: when do examples in a context force the answer to a query without changing model parameters? In finite-field linear task families, we prove an exact row-space criterion, compute the residual hypothesis count, derive full and query-local identification curves, and show that extracting a smallest forcing subcontext is NP-complete even for binary outputs. The second problem is threshold emergence: when does an apparent benchmark jump reflect a semantic transition rather than a discontinuity of the scoring map? We prove an anti-mirage theorem separating thresholded metrics from semantic confidence and give a rate-sensitive crossing bound for latent commitments becoming visible above threshold. The common semantic object is a confidence functional on definable events. We show that it is a Boolean probability measure, equivalently a Keisler measure on the relevant type space, whose measure-one formulas form a proper filter and whose Stone-space representation is invariant under definitional expansion. The resulting calculus provides finite context certificates, pair-separator hitting sets, query teaching dimension, prompt-preservation criteria, and scale-limit witnesses. Exact-arithmetic ancillary scripts reproduce the finite-field and threshold calculations and generate the data used by the figures.
Authors: Yao Xie
Abstract: This discussion argues that sequential statistical inference can naturally contribute to LLM trustworthiness. In deployment, LLM systems are queried repeatedly, conditioned on evolving contexts, and incorporate user or tool feedback, and may exhibit behavioral shifts after model updates or distribution changes. The discussion is organized around three tasks: representation, modeling LLM interactions as dependent stochastic processes rather than isolated prompt--response pairs; validity, developing uncertainty guarantees that remain meaningful under dependence, repeated use, and adaptation; and monitoring, using sequential alarms and change-point detection to identify shifts in calibration, hallucination rates, refusal behavior, fairness, or other task-relevant properties. This perspective complements recent surveys by viewing trustworthy LLM deployment as a problem of statistical process control.
Authors: Luciano Melodia
Abstract: Transfer learning presumes that a representation learned on source tasks carries structure that remains usable on related target tasks. Standard evaluations probe this through target accuracy or distributional discrepancy, yet leave unspecified which structural invariant is meant to transfer. We supply that invariant categorically. A source task category $\mathcal A$, a target task category $\mathcal B$, and a task-change functor $J:\mathcal A\to\mathcal B$ determine, for every invariant-valued source representation $F:\mathcal A\to\mathcal V$, the universal transferred invariant $\operatorname{Lan}J F$. Given a target invariant $G:\mathcal B\to\mathcal V$, we define the transfer discrepancy $\operatorname{Comp}J(F,G)=\sup{b\in\operatorname{Ob}(\mathcal B)} d{\mathcal V}\bigl((\operatorname{Lan}_J F)(b),G(b)\bigr)$, evaluating transfer not by an objectwise comparison of source and target, but by comparing the target invariant against the one forced by the prescribed task transformation. We prove finite cokernel formulas for $(\operatorname{Lan}_J F)(b)$ in chain complexes and persistence modules, indexed by the comma category $J\downarrow b$. For persistence-valued finite-type one-parameter invariants, the discrepancy is computed exactly by bottleneck distances between barcodes. Controlled experiments on neural latent point clouds then test whether the score recovers the correct task functor and flags representation collapses that preserve classification accuracy while destroying transfer-relevant topology.
Authors: Cristina Garbacea
Abstract: Current approaches to aligning large language models (LLMs) aggregate diverse human preferences into a single reward signal, effectively optimizing for a hypothetical ``average user'' who represents no real person particularly well. This position paper argues that LLMs should learn personalized, individual preferences rather than aggregated ones. We show that aggregation masks critical information about preference diversity, individual values, and contextual dependencies, which is a limitation both theoretically grounded in social choice theory and empirically evident across demographic groups. We analyze the rich structure that human preferences encode, survey technical approaches to personalization, and systematically address counterarguments on scalability, shared standards, and manipulation risk. While personalization introduces genuine safety challenges including filter bubbles, value lock-in, and psychological manipulation, we argue these are manageable through bounded personalization frameworks that preserve universal safety constraints while accommodating legitimate individual variation. We conclude with a concrete research and policy agenda for developing preference-aware models that respect both individual autonomy and collective safety.
Authors: Jiancheng Zhang, Meiqing Li, Qi Zhang, Yinglun Zhu
Abstract: Real-world datasets across image and text domains are often characterized by skewed class distributions and noisy annotations, which jointly degrade model performance, particularly on minority classes. Among existing solutions, active learning offers an effective and efficient paradigm by selectively querying the most informative and balanced samples for annotation. We propose an innovative active learning framework that mitigates class imbalance and selects the most informative samples to annotate. Leveraging foundation model priors, our algorithm enables imbalance-aware co-decisions between foundation model and small model to tackle noisy and imbalanced labels across various domains. We introduce the first study to systematically explore active learning under the dual challenges of label noise and class imbalance across image and text domains. Extensive experiments on imbalanced datasets demonstrate that our method achieves substantial annotation savings-over 50% compared to the best active learning baseline-while preserving performance and robustness to label noise.
Authors: Huy Nghiem, Sy-Tuyen Ho, Sarah Wiegreffe, Hal Daum\'e III
Abstract: Emergent misalignment (EM) occurs when narrow finetuning causes a model to behave dangerously outside the finetuning task. Standard training signals can miss this shift, making reliable detection costly if it depends on repeated behavioral evaluation. We ask whether emergent misalignment can instead be detected from internal representations during finetuning. Using seven alignment-relevant traits encoded as linear directions in activation space, we track representational drift across training checkpoints in four open-source 7-9B LLMs. EM-relevant drift concentrates on a low-dimensional axis that explains 65.5% of the variance, revealing a geometric signature in the studied regime. A low-overhead monitor built on this drift profile detects dangerous checkpoints with 2.2% false negative rate, 2.9% false positive rate, and 0.990 AUROC on held-out perturbation types, outperforming unsupervised PCA and SAE baselines. Stress tests on two 14B models, longer finetuning runs, and misaligned starting points identify key deployment boundaries. These results position trait-space monitoring as a practical complement to behavioral evaluation for EM detection during LoRA-based finetuning, while showing that deployment across substantially different regimes may require recalibration.
Authors: Jared Fernandez, Clara Na, Yonatan Bisk, Constantine Samaras, Emma Strubell
Abstract: Proper accounting of the energy requirements and environmental impact of artificial intelligence (AI) systems is necessary for researchers, developers, policy makers, and users to assess the barriers to building systems at scale. With the growing complexity of pipelines and underlying infrastructure needed to develop and deploy AI systems, previous approaches for evaluating AI efficiency which focus on the costs of a single training run or an individual inference prediction are no longer sufficient. In this position paper, we enunciate the need for applying life cycle assessment to evaluate the costs of the machine learning model development and deployment pipeline to properly account for the required resources and downstream impact. Life cycle assessments enable the incorporation of costs across the full life cycle of an AI system and its underlying infrastructure, from the embodied costs associated with the physical computing hardware through the operational costs in training and inference.
Authors: Kevin Patel, Shashi Bhushan Jha
Abstract: Traditional fake news detection methods are falling behind as multimodal misinformation grows more advanced, seamlessly blending deceptive text, manipulated visuals, and factually incorrect claims. Most prior work focuses on text-image fusion or applies external knowledge only as a post-processing step, limiting their ability to detect deeper semantic inconsistencies. In this paper, we introduce KITE (Knowledge-Integrated Text-Image Encoder), a tri-modal fake news detection framework that jointly models textual, visual, and factual knowledge representations. KITE leverages Roberta [23,14] and CLIP [24] for linguistic and visual encoding, while a Graph Attention Network (GAT) processes structured facts retrieved from Wikidata. KITE uses cross-modal attention [9] within a multimodal transformer to integrate text, visual, and knowledge features, helping it understand how each modality relates to one another. Modality-specific confidence scores are generated alongside the final prediction, offering interpretability by indicating which input type most influenced the decision. Evaluations on benchmark datasets demonstrate that KITE significantly outperforms unimodal and bimodal baselines, particularly in scenarios involving image-text mismatches or contradictions with external knowledge.
Authors: Yi Nian, Tiankai Yang, Yudi Zhang, Qi Pan, Zelong Xu, Shenzhe Zhu, Qingqing Luan, Yue Huang, Xiangliang Zhang, Yue Zhao
Abstract: Safety alignment for large language models relies on preference data, but current pipelines often train on large, redundant datasets. Existing data selection methods typically score each preference pair independently, collapsing directional preference information into scalar quality or diversity scores. This sample-centric view is especially limiting in multi-dataset settings, where shared safety directions coexist with dataset-specific residual risks. We propose DOG-DPO, a training-free data selection framework that treats preference pairs as structured geometric signals. DOG-DPO first represents each preference pair as a direction in model representation space. It then decomposes multi-dataset preference geometry into a global anchor subspace and dataset-specific residual subspaces. Finally, it selects subsets by maximizing diversity-based coverage, encouraging broad, non-redundant coverage of alignment directions before DPO training. Across six safety benchmarks and two model backbones, DOG-DPO achieves a strong utility-robustness trade-off using only 11% of the preference pairs. It recovers most of the safety gains of full-data training while remaining entirely teacher-free, training-free, and substantially faster than representative selection baselines.
Authors: Qianli Ma, Zhiqing Tang, Hanshuai Cui, Zhi Yao, Weijia Jia
Abstract: Disaggregated serving alleviates memory bottlenecks in Large Language Model (LLM) inference but creates a severe communication bottleneck: transmitting high-dimensional Key-Value (KV) caches often dominates time-to-first-token (TTFT). Moreover, reusing caches across heterogeneous models (e.g., base and fine-tuned variants) causes semantic misalignment that accumulates over layers, degrading generation quality. We propose Semantic Cache Distillation (SCD), a loss-constrained framework that replaces raw KV transmission with compact semantic codes. SCD addresses these challenges via two mechanisms: (1) Reuse, which reconstructs most layers from low-rank subspaces to minimize transfer cost, and (2) Patch, which predicts normalized inputs at sparse transition layers to truncate error propagation. Empirically, SCD delivers up to 2.65 $\times$ TTFT speedup over the oracle consumer prefill and dominates quantization and selective recomputation baselines on the quality--latency Pareto frontier in bandwidth-constrained regimes, while keeping generation quality within 5\% F1 of the oracle.
Authors: Deepak Kanneganti, Sajib Mistry, Sheik Mohammad Mostakim Fattah, Aneesh Krishna
Abstract: The dynamic nature of Internet of Things (IoT) environments affects the long-term effectiveness of Machine Learning as a Service (MLaaS) compositions. Existing adaptive composition methods are mainly based on service replacement or re-composition, where identifying suitable substitutes is difficult and time-consuming. To address this, we propose a novel Test-Time Adaptive (TTA) composition framework for MLaaS in IoT environments. First, we introduce a TTA-aware composability model to determine whether adapted services remain compatible with the existing composition. Next, we design a service-level adaptation model to adjust individual services during inference while preserving composition performance. Experimental results demonstrate that the proposed framework reduces computational time more effectively than traditional adaptive approaches.
Authors: Ravisha Rupasinghe, Rajith Vidanaarachchi, Asela Hevapathige, Sachith Seneviratne, Sen-Lin Tang, Saman Halgamuge
Abstract: Physics-Informed Neural Network (PINN) is a way of including knowledge in the form of equations in Machine Learning methods. Beyond equations, knowledge exists in other forms, such as text and network structure. While existing PINN-based approaches discover equation parameters from data, they rely solely on experimental measurements. We propose a new PINN framework that enriches parameter discovery by incorporating auxiliary knowledge sources. We instantiate our framework for microbiology, where generalised Lotka-Volterra (gLV) serves as a biological foundation for modelling microbial communities. We demonstrate that incorporating knowledge improves microbial community modelling. Our framework enriches the gLV parameters using peer-reviewed metagenomics literature, as text provides biological context on external influences that gLV alone cannot capture. We combine this knowledge with experimental measurements of microbial abundance using a data-driven integration approach. We integrate network-based structural knowledge by explicitly modelling microbial interactions. Our knowledge-inclusive framework infers microbial networks, revealing ecological insights. We validate these findings against ecological roles documented in the literature. We evaluate on real and simulated datasets spanning human- and plant-associated microbial communities. Our framework improves over the state-of-the-art by up to 53%, even without knowledge. Knowledge addition yields gains of up to 23% in Bray-Curtis Dissimilarity-based accuracy and 47% in $\mathrm{R}^2$.
Authors: Ning Wang, Zhengxin Zhang, Maosen Tang, Yitang Gao, Claire Cardie, Sainyam Galhotra
Abstract: Finetuning data selection requires balancing two competing goals: selecting examples that improve the downstream objective, and doing so without repeatedly finetuning models. Train-free selectors are scalable but rely on proxies such as embedding similarity or clustering, which may not match the target objective. Train-based selectors better reflect downstream utility through gradient signals, subset evaluation, or Shapley attribution, but require many costly train--evaluate iterations. We propose Hierarchical Active Region Pruning (HARP), an efficient train-based selector that preserves downstream alignment while reducing selection cost. HARP organizes the training pool into a node--leaf hierarchy, evaluates only representative leaves, and infers unmeasured utilities with empirical Bayes posteriors. It then selects data using two complementary envelopes: HARP-C, which conservatively controls redundancy, and HARP-E, which additively rewards complementary regions. We theoretically show that, under local smoothness and bounded estimation error, HARP controls selection error while reducing train--evaluate cost. We further validate that HARP variants achieve the best result and outperform the strongest baseline by up to $+8.9$ points, while using roughly $7\times$ fewer training examples.
Authors: Magnus Ruud Kjaer, Haejun Han, Ashish Neupane, David Q. Sun
Abstract: Foundation models for wearable biosignals have matched or exceeded supervised specialists across a range of clinical tasks, yet all rely on modalities that require deliberate user action--wearing a device or visiting a sleep lab. We introduce BCG-FM, the first foundation model for ambient mechanical biosignals. A piezoelectric sensor embedded in the bed surface records ballistocardiography (BCG) each night without user effort; we pretrain BCG-FM with participant-level contrastive learning and using a total of 2.75 million hours of nightly recordings from 145,985 individuals, the largest raw-waveform biosignal pretraining corpus to date. Frozen BCG-FM embeddings achieve 3.26-year MAE on biological-age estimation (the lowest reported for any ambient, contactless modality) and yield clinically relevant discrimination across 15 self-reported health conditions and three independent external cohorts. Pretrained representations from only 500 labeled participants outperform a fully supervised baseline trained on 3,372, and representation quality scales log-linearly with contrastive batch size. These results establish ambient, longitudinal mechanical biosignals as a viable modality for health foundation models.
Authors: Kyeongjun Lee, Heeyoung Kim
Abstract: Accurate vessel traffic flow prediction is crucial for smart port operations and navigational safety. However, maritime traffic flow data are often highly sparse with intermittent bursts, making robust forecasting challenging. Under such conditions, conventional spatio-temporal graph neural networks (ST-GNNs) can degrade toward conservative near-zero predictions and fail to capture non-zero activity. Although zero-inflated negative binomial (ZINB) models partially address excess zeros, their two-part formulation can still remain conservative around abrupt transitions. To address these issues, we propose a model-agnostic learnable Tweedie head that can be attached as a plug-and-play output module to arbitrary ST-GNN backbones. Instead of likelihood-based Tweedie training, which typically requires surrogate objectives, our approach optimizes the closed-form Tweedie unit deviance and predicts the mean for point forecasting while learning a node-level variance power to capture heterogeneous variability across port areas. Experiments on a maritime traffic graph constructed from real-world AIS data in the Port of Los Angeles and Long Beach show that the proposed head consistently improves RMSE across multiple ST-GNN backbones, especially on non-zero events, leading to more reliable forecasts for practical maritime traffic control.
Authors: Yongchao Li, Yang Li, Zhuoxuan Li, Jun Chen, Chu Zhang, Jinde Cao, Leszek Rutkowski
Abstract: Multi-Modality Spatio-Temporal Forecasting (MoSTF) extends traditional spatio-temporal forecasting by incorporating diverse traffic modalities. Despite significant recent strides in spatio-temporal modeling, existing approaches often fail to explicitly model the coupling relationships between different modality variables. Accurate MoSTF is challenging, as it requires modeling (1) temporal dynamic heterogeneity under exogenous influences and (2) heterogeneous spatial dependencies alongside complex cross-variable couplings. To address these challenges, we propose the Dual-Domain Spectral Filtering Network (DSFNet). Our framework employs dual-domain spectral filtering to capture heterogeneous spatial patterns and explicitly model the relationships between variables. Unlike graph-based message passing or dense attention over node-modality pairs, DSFNet factorizes space-modality interactions into feature-domain and spatial-domain spectral operators, enabling scalable modeling of nonlocal dependencies and cross-modality couplings. Furthermore, we introduce an external gating mechanism to adaptively regulate temporal dynamics under external influences. We validate our method through extensive experiments on five representative real-world traffic datasets. Compared with the second-best baselines, DSFNet reduces MAE by 3.21%-10.16% across these datasets. The results demonstrate that DSFNet significantly outperforms existing state-of-the-art baselines in accuracy while exhibiting efficiency and robustness.
Authors: Kien Le, Thai Le
Abstract: Activation steering has become a popular training-free method to control LLM behavior by injecting precomputed direction vectors into the model's residual stream at inference time. Yet its robustness to realistic input variation remains unstudied. We present the first systematic evaluation of activation steering robustness under adversarial text perturbations on the inputs, covering four extraction methods, three attack strategies, six personas from Anthropic Model-Written Evaluation Dataset, and five models ranging from 1.5B to 30B parameters. Attacks succeed broadly across all settings: directional robustness drops by up to 64%, post-attack confidence collapses near or below 0.25 across all methods and models, and steering strength degrades on nearly every steerable input. Layer selection is equally fragile, with the optimal layer identified by an automated method on clean inputs shifting by up to 17 positions under perturbation, a failure that compounds the vector-level breakdown. Extracting vectors from adversarially perturbed inputs partially recovers steerability for PCA and MD on mid-to-large models, but they consistently fail to locate the improved optimal layer, limiting the practical benefit of this mitigation. Together, these findings reveal that the brittleness of activation steering is structural rather than method-specific, and that current layer selection strategies are not robust enough for real-world deployment.
Authors: Juergen Dietrich
Abstract: Graph neural networks (GNNs) applied to drug-drug interaction (DDI) prediction rely exclusively on molecular structure encoded as SMILES-derived graphs. Prior work in this series demonstrated that model performance is bounded by the structural information content of training labels -- an Information Ceiling -- that architectural refinements alone cannot overcome. The present study investigates whether pharmacogenomic prior knowledge from the PharmGKB database partially closes this ceiling by providing metabolic pathway context that is independent of, and complementary to, molecular structure. Cytochrome P450 (CYP) enzyme substrate, inhibitor, and inducer annotations for four clinically relevant isoforms (CYP2D6, CYP3A4, CYP2C19, CYP2C9) are extracted and incorporated as a 12-dimensional feature vector concatenated to the molecular embedding prior to interaction prediction. Experiments are conducted under both pair-level and drug-level data splits to quantify generalization to unseen drugs. Results indicate that knowledge graph (KG) augmentation substantially improves DDI type classification under pair-level split conditions (F1-macro: 0.532 vs. 0.241 baseline), while binary interaction detection and drug-level generalization remain bounded by the Information Ceiling (AUC inflation: 0.224 vs. 0.250 baseline). Mechanistic validation on strictly held-out compounds confirms that augmentation preferentially improves CYP2C9-mediated interaction prediction, with probabilities increasing from 0.033-0.117 (baseline) to 0.560-0.586 (KG-augmented). An extension to single-molecule toxicity prediction on the Tox21 benchmark confirms that the effect is contingent on pharmacogenomic annotation coverage. These findings motivate the multimodal framework proposed for the subsequent study in this series.
Authors: Sahar Mansouri-Rad, Zahra Narimani, Parvin Razzaghi, Nazanin Hosseinkhan
Abstract: Background: Prediction of essential genes (proteins), is a basic and challenging problem but at the same time very costly and time-consuming in wet-lab experiments. Predicting essential genes, only based on computational methods (to introduce wet-lab candidates) using centrality measures are not accurate and result in large number of false positives; therefore, more complex models such as deep learning and also integration of biological information are used in recent research to identify essential genes. Methods: In this work we focus on graph isomorphism networks, in order to embed proteins as a node in PPI network to conserve topological features of PPI network, and also integrate biological data such as gene expression data, gene orthology information and gene subcellular localization information, and introduced a deep architecture for predicting essential genes. Graph isomorphism network architecture is modified in this work for embedding node information. Results: Our experiments proved that the proposed method outperforms baseline centrality-based methods and also machine learning based methods such as Node2Vec, MLP, and also graph attention networks (GAT). Conclusion: In this paper we observed that using graph isomorphism networks that integrate biological data (as node attributes) and preserve network topology can significantly improve the essential gene prediction accuracy. In simpler organisms such as E. coli and D. melanogaster, methods such as multi-layer perceptron using Node2Vec embedding also performs very good, but in H. sapiens the introduced architecture significantly outperforms deep learning and other graph neural network solutions. Keywords: Essential gene prediction, graph neural network, graph isomorphism network, PPI network, node embedding
Authors: Lin Qiang, Sun Xiaoyan, Hu Yao, Fang Wei
Abstract: The heterogeneity of client data and systems makes it difficult to achieve satisfactory convergence speed and robustness in federated learning with random client selection. To address this issue, this paper proposes a surrogate-assisted client evolutionary selection framework for federated learning. In this framework, some typical client selection strategies are first used to generate candidate sets, and a metric function that integrates model performance, communication latency, and energy consumption is developed to formulate the client selection problem as a combinatorial optimization one. Subsequently, a surrogate model is constructed using the candidate selections and metric to efficiently approximate the performance of selected client subsets. An evolutionary algorithm is employed to search the combinatorial space of client selections, guided by the surrogate model to accelerate convergence. Experiments on MNIST, CIFAR10, CINIC10, and TinyImageNet demonstrate that the proposed algorithm achieves faster convergence, lower energy consumption, and improved robustness compared to existing methods.
Authors: Hongxing Wang, Harenome Razanajato, Zhen Zhang, Yujie Yuan, Hongsheng Liu
Abstract: Long-context prefill remains expensive because full/GQA layers still score the historical sequence, even in hybrid models with local, sparse, linear, or recurrent components. We study how much dense attention is needed to preserve task-level behavior under explicit support granularity and top-k budgets. We introduce an attention-mass top-k oracle for existing GQA checkpoints: for each layer and query position, it computes dense attention, selects head-averaged token support, and recomputes attention only on that support. The oracle is a diagnostic reference, not a deployable accelerator, and separates sparse-budget feasibility from indexer error and runtime realization effects. On Qwen-family retrieval-heavy evaluations, the longest per-query oracle rows stay within 1 point of dense, and a Qwen3.5-9B RULER-style sweep from 4K to 100K stays within 0.48 points. Guided by the oracle, we derive a head-collapsed auxiliary indexer trained by KL distillation from dense attention-mass distributions while keeping the backbone frozen. With separately distilled Qwen3.5-0.8B and Qwen3.5-9B indexers, the reported 16K/32K validation macro gaps are +2.04 and +1.13 points, treated as quality preservation rather than improvement; fused selection-block-shared support can introduce a larger realization gap. Preliminary single-card TTFT measurements show distilled-indexer sparse serving speedups of 1.71x for Qwen3.5-0.8B on NPU and 1.93x for Qwen3.5-9B on GPU against its dense FlashAttention-2 baseline. Additional random-init stress rows reach 3.44x, indicating sparse-runtime headroom but not validated output quality. This first release separates oracle feasibility, distilled-indexer quality, and runtime headroom, leaving a fully matched quality-latency frontier to future work.
Authors: Zeyu Xia, Jun Zhu, Dong Yan
Abstract: Symbolic regression aims to uncover explicit scientific laws from data. Recent methods use LLMs to guide mutation from background text, which is more directed than random genetic programming. However, exact symbolic recovery requires both semantic guidance and explicit structure, so that domain-informed search are carried out through valid symbolic representation. Current LLM-driven systems remain structure-blind: they select among opaque candidates, lack explicit mechanisms for local mutation, and rely on brittle coefficient fitting that can undervalue correct skeletons. We propose FunctionEvolve, an evolutionary framework using expression trees to organize the whole search: structural summaries promote diverse parent selection, local tree edits preserve useful subexpressions, and structure-aware fitting decomposes, constrains, and simplifies coefficients for more reliable scoring. It uses only elementary function families, without additional domain-specific rules limiting generalization. On the 129-task synthetic subset of LLM-SRBench, FunctionEvolve with \emph{Claude Opus 4.6} recovers 107 exact forms, reaching 82.9% SA@50, 4.5x above same-backbone baselines, and 55.8% SA@1, 3.6x above the strongest previously published top-1 result. Ablations show that structure-visible search is central to reliable recovery, with LLM-guided refinements and structure-aware coefficient optimization serving as essential proposal and scoring mechanisms. We also audit the benchmark and show that collinearity in its materials-science subset creates identifiability issues.
Authors: Yuchen He, Baolong Bi, Shenghua Liu, Huaming Liao, Yuyao Ge, Bolin Wan, Siqian Tong, Juan Chen, Jiafeng Guo, Xueqi Cheng
Abstract: Although multi-objective reinforcement learning (MORL) is central to aligning large language models with complex human preferences, the prevailing practice of static weighted summation overlooks a more fundamental phenomenon: reward learning is markedly asynchronous across objectives. Well-learned dimensions quickly produce homogeneous, low-variance signals whose residual noise contaminates the aggregated reward (in GRPO) or occupies a fixed share of the advantage budget (in GDPO), interfering with the scarce yet high-value signals carried by under-learned dimensions. To address this asynchrony, we propose Stage-Aware Dynamic Weighting (SAW), a lightweight, algorithm-agnostic dynamic weighting mechanism. SAW utilizes the coefficient of variation (CV) as a scale-invariant proxy for real-time informativeness, reweighting each dimension's reward or advantage contribution by its relative informativeness within the batch. Unlike gradient-based methods that require multiple forward and backward passes, SAW relies solely on batch-level statistics, introducing nearly negligible computational overhead. Experiments on tool-calling and text summarization tasks demonstrate that SAW consistently improves both training efficiency and final performance under both GRPO and GDPO frameworks, confirming it as a general-purpose plug-in for multi-reward LLM alignment. Our code is available at https://github.com/Zhaolutuan/SAW
Authors: Lemei Zhang, Peng Liu, Hans Dahle Kvadsheim, August S{\ae}tre Aasv{\ae}r, Shuer Ye, Reza Bonyadi, Maryam Ziaei, Jon Atle Gulla
Abstract: Decoding emotional states from neural signals has been typically framed as a discrete, single-label classification task based on emotionally stable stimuli, a formulation that oversimplifies the continuous, fluid, and co-occurring nature of human affect. This study reconceptualizes emotion decoding by adopting a multi-target regression framework to track multiple overlapping emotional dimensions as continuous trajectories over time. Leveraging the robust generalization capabilities of Large Language Models (LLMs), we extracted fine-grained, continuous sentiment profiles from a naturalistic auditory narrative, Alice in Wonderland, to serve as scalable proxies for subjective affect from human fMRI dataset. Departing from standard classification paradigms or mass-univariate subtractive contrasts that filter out network dynamics, we leverage regularized and kernel-based machine learning algorithms as continuous estimators to track the magnitude of macroscale neural state variations. We demonstrate that models trained on temporal snapshots of Dynamic Functional Connectivity (DFC) significantly outperform static region-of-interest (ROI) amplitude representations, effectively capturing continuous emotional trajectories under rapidly fluctuating narrative input. Furthermore, by implementing graph-theoretical Explainable AI (XAI) techniques, we deconstruct the underlying predictive features to reveal highly interpretable, emotion-specific topological configurations. Collectively, these results highlight the utility of LLM-automated annotation in affective neuroscience and provide compelling empirical evidence for psychological constructionist frameworks, demonstrating that dynamic, distributed network interactions offer superior explanatory power over strictly locationist accounts of emotion.
Authors: Young D. Kwon, Miles Williams, Rui Li, Alexandros Kouris, Stylianos I. Venieris
Abstract: The autoregressive nature of large language models (LLMs) remains a significant bottleneck for inference, particularly in complex agentic workloads. While speculative decoding (SD) accelerates inference, current approaches rely on static drafting paradigms, utilising either autoregressive drafting models for reasoning or diffusion-based parallel drafting models for structured outputs. We empirically find that drafting accuracy fluctuates dramatically within a single sequence, leaving significant performance unrealised by static paradigms and coarse-grained routing. To address this volatility, we introduce WhiFlash, the first cross-paradigm SD method that unifies autoregressive and diffusion-based parallel drafting under a single token-level controller. WhiFlash adopts a fine-grained routing mechanism that employs either a lightweight entropy-based or a learned neural policy, both parametrised to provide a tunable balance between expected token gain and latency. To make high-frequency switching computationally viable, we introduce novel cache-management optimisations, Lazy Catch-up and KV-only Prefill, reducing switching overhead to below 7% of per-round latency. By capitalising on the complementary strengths of fundamentally distinct drafting architectures, WhiFlash achieves significantly higher acceptance lengths, yielding category-specific throughput gains of up to 69.6% over the state-of-the-art autoregressive EAGLE-3 and 37.3% over the diffusion-based DFlash.
Authors: Hao Yang, Shiqi Shen, Haoxuan Li, Zhipeng Wang, Zhi Gong, Xu Chen
Abstract: Memory is the key component for transforming a stateless LLM into a persistent, evolving agent through experience accumulation, long-horizon planning, and continual self-improvement. Existing memory systems typically take the LLM as the center and design memory operations tailored to a specific backbone. In practice, however, users frequently switch between LLMs, for example using Claude for coding and GPT for writing across tasks, or routing different steps to different backbones within a single task for cost-effective trade-offs. As a result, memory written by one model often needs to be consumed by another. Making upstream memory effectively adapt to and activate downstream LLMs remains a critical yet underexplored problem. To bridge this gap, we shift the perspective from LLM-centric memory design to \emph{memory-centric LLM adaptation}. Specifically, we approach the above upstream-downstream memory adaptation problem from both the write and read sides, and design two profile-conditioned operators that are jointly trained to optimize how memory is stored and presented for better task completion. To ensure the learned operators generalize across a broad set of LLMs, we propose a minimum-gain sampling curriculum that prioritizes the least-served LLMs during training. To better measure the operators' actual contribution rather than the LLM's own capability, we design a performance-gap reward that compares against a naive memory baseline. Experiments on HotpotQA, 2WikiMultihopQA, and MuSiQue demonstrate that our model consistently outperforms baselines and remains robust under unseen-model replacement.
Authors: Lenore Mullin, Gaetan Hains
Abstract: The attention mechanism is the dominant computational bottleneck in modern transformer-based AI. Its standard implementation incurs quadratic memory traffic in the sequence length~$n$, and DRAM accesses cost 100--1000$\times$ more energy than arithmetic operations on contemporary hardware, so any analysis focused solely on FLOP counts fundamentally mischaracterises the bottleneck. We present a Mathematics of Arrays (MoA) reformulation of scaled dot-product attention and its numerically stable softmax, deriving a Denotational Normal Form (DNF) that eliminates all intermediate arrays -- including the implicit transposed-key buffer and every softmax temporary -- by algebraic construction rather than empirical tuning. The DNF achieves $O(n_{dk} + n{_{dv}})$ data movement versus $O(n^2 + n_{dk} + n_{dv})$ for the standard implementation, where $n$ is the sequence length, $dk$ is the key dimensionality and $dv$ the value dimensionality, and is verified numerically against PyTorch at full double-precision floating-point on concrete inputs. Unlike hardware-specific accelerators or empirical tiling schemes such as FlashAttention, MoA simultaneously provides array fusion, shape-transformation correctness, and predictive cost models from a single algebraic framework. Memory minimality is a theorem established before any code is written. A predictive performance model projects $2$--$100\times$ speedup and $2$--$50\times$ energy reduction, with the advantage widening at exascale. The derivation establishes a formally verified pipeline from Python specification through (ONF) Operational Normal Form, and dimension-lifted hardware mapping, providing performance-portable AI kernels of direct relevance to DARPA edge-deployment and DOE exascale priorities.
Authors: Hamideh Ghanadian, Isar Nejadgholi, Hussein Al Osman
Abstract: Suicide ideation detection models are typically evaluated using aggregate performance metrics, yet little is known about how they internally represent psychologically meaningful risk factors. In high-stakes mental health applications, understanding these internal representations is essential for safety, transparency, and responsible deployment. In this work, we move beyond accuracy and analyze how suicide detection models trained on original and topic-augmented datasets encode psychological risk factors in their internal representation space. Using visualization and geometric analysis, we examine the coherence and separability of topic-related features. Our results show that topic-aware augmentation increases the clarity and distinctness of underrepresented psychosocial risk factors such as immigration, family issues, and financial crisis. These findings suggest that augmentation not only improves model performance but also leads to more structured and interpretable internal representations.
Authors: Kangkang Qi, Huiyu Yang, Keqi Ding, Yunpeng Wang, Yuntian Chen, Yuanwei Bin, Rikui Zhang, Jianchun Wang
Abstract: High-fidelity computational fluid dynamics (CFD) is crucial to vehicle aerodynamic analysis, but its cost still constrains early-stage design exploration. Machine-learning-based surface-field prediction offers a faster alternative if the model can efficiently capture both global flow context and local geometric detail. This work proposes a machine-learning-based method, named the geometry-aware triplane field network (GTF-Net), for vehicle aerodynamic pressure and wall shear stress prediction. GTF-Net constructs triplane features directly from sampled surface points through a shared multilayer perceptron (MLP) and smooth bilinear rasterization. The planes are then processed by a dual-stream backbone that combines adaptive Fourier neural operator (AFNO) spectral mixing with convolutional neural network (CNN) refinement, so long-range aerodynamic coupling and local geometry-induced variations are modeled in the same representation. At query stage, sampled triplane features are combined with vehicle-aligned directional coordinates, normal-projection features, and a voxel-based curvature proxy. GTF-Net is compared with Transolver, geometry-informed neural operator (GINO), and TripNet, a triplane-based surrogate model. GTF-Net improves the relative L2 error from the strongest baseline value of 0.157 to 0.145 for pressure prediction and from 0.237 to 0.226 for wall shear stress prediction. Ablation results show that AFNO mixing, local CNN refinement, and query-side geometric encoding each contribute to accuracy, supporting the proposed mechanism of combining structured triplane representation with explicit aerodynamic geometry cues.
Authors: Zifan Lyu, Chahine Nejma, Tobias Wegel, Fanny Yang, Florian E. Dorner
Abstract: Large Language Models are typically benchmarked by evaluating every model on every test query. For practitioners seeking the best model to deploy, this is often wasteful: if a model clearly performs worse than others, there is no need to precisely estimate its performance. Best-arm identification algorithms can be naturally applied to drastically reduce costs by adaptively allocating evaluation budget. Further, language models often respond similarly to the same prompt-a property previous work has tried to leverage with mixed success. We propose Synchronized Successive Rejects (SySRs), augmenting the classical Successive Rejects algorithm with paired comparisons. Unlike prior attempts to leverage model similarity in best-model identification, our approach is hyperparameter-free and enjoys performance guarantees that improve with the degree of similarity between evaluated models. Empirically, our method outperforms all baselines in terms of average error rate across 15 standard benchmarks, and in terms of worst-case budget for reliably identifying the best model.
Authors: Blake B. Gaines, Jinbo Bi
Abstract: It is well established that ReLU networks define continuous piecewise-linear functions, and that their linear regions are polyhedra in the input space. These regions form a complex that fully partitions the input space. The way these regions fit together is fundamental to the behavior of the network, as nonlinearities occur only at the boundaries where these regions connect. However, relatively little is known about the geometry of these complexes beyond bounds on the total number of regions, and calculating the complex exactly is intractable for most networks. In this work, we prove new theoretical results about these complexes that hold for all fully-connected ReLU networks, specifically about their connectivity graphs in which nodes correspond to regions and edges exist between each pair of regions connected by a face. We find that the average degree of this graph is upper bounded by twice the input dimension regardless of the width and depth of the network, and that the diameter of this graph has an upper bound that does not depend on input dimension, despite the number of regions increasing exponentially with input dimension. We corroborate our findings through experiments with networks trained on both synthetic and real-world data, which provide additional insight into the geometry of ReLU networks. Code to reproduce our results can be found at https://github.com/bl-ake/ICLR-2026.
Authors: Alma Andersson, Aya Abdelsalam Ismail, Edward De Brouwer, Doron Haviv, Tommaso Biancalani, Kyunghyun Cho, Gabriele Scalia, A\"icha BenTaieb, Hector Corrada Bravo
Abstract: Understanding cellular phenotypes and how they respond to perturbations is critical for disease biology and therapeutic design. Single-cell RNA sequencing enables characterization at cellular resolution, yet the combinatorial space of conditions makes exhaustive experimental mapping infeasible. We introduce single-cell Concept Bottleneck Generative Models (scCBGM), a framework for interpretable and precise counterfactual editing of individual cells. scCBGM adapts concept bottleneck architectures for single-cell data through decoder skip connections and a cross-covariance penalty that promotes disentanglement without dimensional constraints. We extend the framework to flow matching models, enabling concept-guided editing in both encoding-decoding and generation regimes. To enable rigorous evaluation, we develop a synthetic benchmark with ground-truth counterfactuals. Across multiple real datasets, scCBGM demonstrates superior performance in combinatorial generalization and counterfactual prediction, supported by cell-level validation on synthetic data and population-level benchmarks on real datasets.
Authors: Paarth Gulati, Ilya Nemenman
Abstract: Self-supervised methods that learn representations and predict dynamics fully in the latent space, such as JEPA, have been shown to confuse slowly varying noise with the dynamical signals they aim to capture. Specifically, when noise features remain approximately constant within each trajectory, contrastive predictive objectives preferentially encode these features instead of the true latent variables governing the system. The learned representation then becomes dominated by trajectory-specific noise, so downstream performance degrades with noise strength and does not improve even as the number and duration of training trajectories increase. We argue that this failure is a property of the objective itself, shared by a long line of contrastive predictive objectives that sample negatives across trajectories. To illustrate this generality, we study the failure mode and its remedy in two settings: a standard SimCLR-style JEPA on a synthetic moving-dot dataset, and DySIB, a recently introduced method designed for extracting physically interpretable representations of dynamics, on movies of a rigid-body pendulum. When negatives are instead sampled within a single trajectory, the slow noise can no longer distinguish frames within that trajectory, removing the predictive shortcut. Training one encoder simultaneously on many such trajectories then forces it to encode the variables relevant for the dynamics, with longer trajectories yielding better representations even for strong slow noise. Our results point toward principles for designing contrastive predictive objectives in dynamical representation learning, especially for physical systems with noisy experimental observations.
Authors: Vitor Cerqueira, Heitor Murilo Gomes, Marco Heyden, Bernhard Pfahringer, Albert Bifet
Abstract: Data stream mining is fundamentally challenged by concept drift, where distributional changes can degrade model performance. Despite the proliferation of drift detection methods, progress in the field is hindered by inconsistent evaluation practices: studies rely on oversimplified synthetic data generators, adopt incompatible metrics, and lack transparency in hyperparameter selection, making fair comparisons difficult. We address this gap with a novel benchmarking framework comprising three contributions: (1) a drift simulation method that injects controlled distributional changes into real-world datasets via Monte Carlo trials, enabling supervised evaluation while preserving real-world data complexity; (2) an evaluation protocol for drift detection with timing-aware criteria, including the derivation of new metrics (e.g., F1 detection score, normalized detection time) that are comparable across streams; and (3) we advocate for a leave-one-dataset-out hyperparameter optimization protocol for drift detection methods that promotes configuration robustness across heterogeneous stream dynamics. We benchmark 14 widely used drift detection methods on 7 realworld datasets across 4 drift types (class prior, label swap, feature permutation, feature filtering), each under both abrupt and gradual transitions. Our experimental results provide insights into the strengths and weaknesses of current drift detection approaches while establishing baseline performance metrics for future research in this area. All code and experiments are publicly available.
Authors: Aya El Mir, Martin Tak\'a\v{c}, Salem Lahlou
Abstract: Multi-agent LLM systems increasingly rely on communication protocols for coordination, yet their robustness under adversarial and structural constraints remains poorly understood. Building on prior work showing that cheap-talk channels enable cooperation in LLM coordination games, we investigate two vulnerability classes in a 4-player Stag Hunt across six model families and 720 trials. First, when Byzantine agents signal cooperation but defect, non-Byzantine agents detect the betrayal within one round yet fail to adapt collectively: a substantial fraction continue cooperating despite repeated exploitation, unable to recover coordination due to the game's unanimity payoff structure. Second, explicitly restricting communication topology collapses cooperation, while applying identical restrictions silently preserves near-perfect cooperation. This establishes that coordination failure stems from agents' meta-reasoning about hidden information, not information loss itself. We identify two stable behavioral archetypes that replicate across all model cohorts: Defection-Prone models that switch permanently after betrayal, and Cooperation-Persistent models that continue cooperating at significant individual cost. These findings reveal concrete security vulnerabilities: communication channels can be exploited as adversarial injection vectors, and disclosing network topology to agents can degrade coordination even without any adversary present.
Authors: Shigui Li, Delu Zeng
Abstract: A fundamental tension exists in the large-step inference of diffusion models via their deterministic probability flow ordinary differential equation (PF-ODE) trajectories, which we identify as the contractivity trap: efficient inference favors large step sizes, while aggressive steps and highly expressive denoisers can undermine contraction-based stability certificates for error suppression. To address this, we propose SteinDiff, a step-wise inference-time stabilization framework that employs Stein-derived corrections without requiring reference samples. Specifically, SteinDiff introduces a geometry-aware residual correction mechanism that regularizes large-step solver updates without retraining. To this end, we derive a closed-form Stein correction coefficient for step-wise solver adjustment, enabling reference-free adaptation to local data geometry. We further establish a score-controlled perturbation bound under distributional shifts and provide a complementary Stein perspective on EDM-style parameterizations. Extensive experiments demonstrate that SteinDiff mitigates severe artifacts and improves generative quality across large-step inference settings.
Authors: Igor Lima Strozzi
Abstract: When a language model trains on its own verified outputs, does it acquire capability beyond its base, or merely get better at expressing capability the base already had? We make the question decidable with a teacher-free "constellation" -- a generator, a learned critic, and a free exact verifier -- on a FlashFill-style "trapdoor" DSL, where verified (problem, solution) pairs are cheap to synthesize, hard to invert, and free to check exactly. Everything runs on one 4-bit Qwen3-4B on a single 24 GB GPU, with no model in the loop larger than the base. We report three findings. (i) Critic-guided selection beats verifier-filtered best-of-$k$ by $+9.1$ pp ($6/6$ seeds), with the entire gain localized to tasks where candidates disagree on held-out inputs. (ii) Per-round STaR self-training raises the ceiling but never accelerates -- the gain tracks remaining headroom and decelerates across $K=4$ independent training trajectories. (iii) The domain has no clean zero-capability frontier, so the usual "$0\% \to$ climb $=$ emergence" test is invalid here. A measured pass@$K$ crossover settles the diagnosis: the trained model wins at the operating budget (pass@$8$) but the base overtakes it at a large budget (pass@$64$) on every trajectory, so self-training concentrates probability mass rather than expanding reach. This is amplification, not compounding. ($K=4$ is indicative, not yet a robust across-trajectory CI.)
Authors: Daniel N. Wilke
Abstract: Scientific machine learning is limited less by model size than by the data it is trained on. Observational data records what happened but not why; template synthetic data has a known generating process but only for the simulator's template, not the case a user faces. We argue a third option is now operationally feasible: instrumented data, in which every datum carries the mechanistic model that produced it, an explicit uncertainty over that model, and an executable family of counterfactuals. Verification-and-validation (V&V) instrumented image-to-simulation pipelines are one realisation: a sensor observation becomes a fully specified, solver-backed simulation with explicit, editable parameters and a propagated aleatoric/epistemic uncertainty. The substrate is case-specific, mechanistically supervised, and supports causal interventions through Pearl's do-operator. Near-term consequences for validation, auditing, and surrogate training span computational biology, climate, materials, fluid mechanics, and medical imaging; a longer-term, falsifiable implication concerns foundation models for scientific reasoning.
Authors: Charles O'Neill, Alex Sandomirsky, Harry Partridge, Mudith Jayasekara, Max Kirkby
Abstract: The KV cache is the memory bottleneck of long-horizon language model deployment. Practically, a deployable compactor must be lightweight enough to call during inference, expressive enough to preserve context under constraint, and reusable across a trajectory. Existing compaction methods satisfy only part of this requirement: selection methods are lightweight but subset-bound, while synthesis methods are expressive but rely on per-context optimization. Here we introduce Still, a small per-layer Perceiver trained once against a frozen base model that produces compact keys and values in a single forward pass. On Qwen and Gemma models, Still occupies the favorable side of the speed--quality frontier across compression ratios from $8\times$ to $200\times$ and context lengths from $8$k to $128$k. On the long-context RULER grid, Still exceeds the strongest baseline by 8--22 points. The same compact cache also supports free-form summarization, preserving most of the full-context gain on HELMET and winning a pairwise LongBench summarization comparison against KV-Distill. Because compaction is a forward pass, Still can be applied iteratively, entering a long-horizon regime unavailable to per-context methods. We show that amortization makes long-context cache compaction tractable, and synthesis makes its compact state useful at extreme compression.
Authors: Itay Elam, Eliron Rahimi, Avi Mendelson, Chaim Baskin
Abstract: Pipeline parallelism is essential for training large neural networks, but existing schedules trade off throughput, memory, and optimization consistency. Synchronous pipelines preserve forward/backward weight consistency but suffer from bubbles; asynchronous pipelines remove bubbles but introduce weight-version mismatch, typically requiring weight stashing, prediction, or correction mechanisms. We introduce PACI (Pipeline Asynchronous training with Controlled Inconsistency), a bubble-free asynchronous pipeline method that bounds forward/backward version drift without weight stashing, prediction, additional parameter copies, or global synchronization. The key idea is to use local gradient accumulation as a version-control mechanism: by slowing parameter-version evolution relative to pipeline delay, PACI limits the number of optimizer updates crossed by any micro-batch while preserving steady-state utilization. In GPT-style language-model pretraining, PACI matches the stability and final perplexity of synchronous 1F1B-flush, retains the same peak memory footprint, achieves fully utilized pipeline throughput, and improves training time-to-accuracy by up to $1.69\times$ over the fastest flush baseline. These results show that forward/backward inconsistency need not be eliminated: when explicitly bounded, it can be safely traded for substantial efficiency gains.
Authors: Marut Pandya, Kasey Zhang, Baiqing Lyu
Abstract: LLM-based coding agents sometimes acknowledge a problem in their own reasoning and then proceed anyway. We call this pattern strained coherence: a safety-relevant failure mode in which an agent has information that should change its behavior, states that information, and still acts against it. The pattern overlaps with verbalized reward hacking, where an agent names a tension between a task proxy and the underlying goal yet optimizes the proxy anyway. We give an operational definition, build a Claude Sonnet 4.6 judge that reads full trajectories and flags spans where the pattern occurs, and evaluate it on 44 Terminal-bench-2 trajectories using a Qwen3.5-35B-A3B backbone. Flagged trajectories fail 94% of the time versus 46% for unflagged trajectories (47-point gap, Fisher's exact p = 0.003; 46 points after excluding three prompt-embedded examples, p = 0.006). At matched selectivity, the detector reaches 94% precision versus 88% for a lexical discourse-marker baseline; the 10-trajectory intersection of the two methods has a 100% failure rate (Clopper-Pearson 95% CI [69%, 100%]). We replicate on Gemma4-31B with 43 trajectories: the overall signal is directionally consistent but not significant (20-point gap, p = 0.31), with attenuation driven largely by 13 trajectories with zero think content, where the detector has no substrate to analyze. In the high-verbosity Gemma tertile, the gap is +30 points; in the mid- and high-verbosity Qwen tertiles, it is +40 points each. The first flag appears at a median of 83-84% of elapsed trajectory time across both models, and the binary flag survives paraphrases that soften explicit conflict markers (8/8 trajectories). Unlike univariate predictors, the detector emits interpretable span-level output -- quoted acknowledgment, quoted action, and typed conflict -- showing what the agent saw and ignored.
Authors: Jaewook Lee, Tijana Zrnic
Abstract: Performative prediction studies feedback loops that arise when predictive models are deployed in consequential domains. In these settings, deploying a model can change the population whose patterns the model aims to predict, inducing a distribution shift that is endogenous to the learning system. This perspective departs from classical treatments of distribution shift, where shifts are typically modeled as exogenous changes in the data-generating process. Yet, in practice, distribution shift is rarely one or the other. Predictive models may influence future data through the decisions they support, while the world itself continues to drift for reasons beyond the learner's control. We study partially performative prediction, a framework that captures both endogenous and exogenous sources of distribution shift. The framework generalizes performative prediction by allowing the data distribution to evolve both in response to the deployed model and according to an external, time-varying process. We extend the central notions of performative stability and performative optimality to this setting by defining their online analogues that track the evolving partially performative environment. We analyze practical learning heuristics, including repeated retraining, and characterize when they successfully adapt to partially performative environments.
Authors: Karandeep Singh, Stefan Rahimi, Chad W. Thackeray, Stephen Cropper, Alex Hall
Abstract: High-resolution regional climate simulations provide critical information for climate impacts assessments but remain computationally expensive, motivating the development of machine-learning downscalers and emulators. A key challenge is determining how limited high-resolution simulations should be distributed across a changing climate trajectory to capture both forced climate response and internal variability. Using the CESM2 Large Ensemble over the western United States, we compare three training-year selection strategies under fixed data budgets: a contiguous block of historical years, years drawn from both the beginning and end of the simulation period, and years distributed throughout the full climate trajectory. Including both historical and future years consistently outperforms training on historical years alone, demonstrating the importance of exposing downscaling models to climate states outside the historical record and highlighting limitations of stationarity assumptions common in statistical downscaling. Training on years distributed throughout the full climate trajectory performs best overall, indicating that broad sampling of internal variability provides additional information beyond exposure to the forced climate response alone. Models trained on temporally distributed subsets more successfully reproduce variability in unseen ensemble members while retaining strong performance across a wide range of climate diagnostics. Even when trained on only one-tenth of the available high-resolution years, temporally distributed models remain highly competitive with full-data training. These results suggest that, under fixed computational budgets, broad sampling of climate states is more valuable than temporal continuity when allocating scarce high-resolution simulations. The findings provide practical guidance for regional climate downscaling and large-ensemble projection workflows.
Authors: Rowan Martnishn
Abstract: Derivative-controlled networks based on ChainzRule (CR) combine cubic polynomial layers with a lightweight forward-mode per-layer Jacobian penalty (DREG). In this second paper of a multi-part series, we evaluate the generalization properties of CR across data regimes. We ablate the shape of the DREG coefficient schedule, demonstrating that the optimal annealing range depends on representation noise. On the Pima Diabetes dataset, CR achieves strong low-data performance and maintains a consistent accuracy advantage over baselines from 5\% to 100\% training data, supported by exceptionally stable gradient tail ratios ($\sim$1.01--1.02 vs. 1.07--1.09 for ReLU networks). Extensions to SST-5 show competitive or superior results in both frozen-embedding and BERT fine-tuned regimes, including outperforming prior BERT baselines despite substantially less training data. These results are statistically significant: CR achieves superior accuracy over the strongest published baselines we could identify on both datasets ($p < 0.05$). These results establish that layer-wise derivative control induces a structural inductive bias toward low-frequency, stable representations that generalizes robustly across tabular and NLP domains, data volumes, and representation qualities. The gradient tail ratio serves as a reliable, label-free diagnostic of generalization capability.
Authors: Shao-An Yin, Jiacong Li, Tianpei Xie, Cecile Levasseur, Wojciech Kowalinski, Nicola Elia
Abstract: The challenge with active learning algorithms is the uncertainty of the statistical distribution of unlabeled data, making it difficult to choose the best hand-crafted strategy. To address this, we introduced Contextual Adaptive Active Learning (CAAL). In CAAL, each "arm" represents a hand-crafted strategy. Unlike existing frameworks that select strategies based only on feedback from labeled data, we dynamically choose strategies for labeling batches of data using reward prediction with external context information. This general framework allows for customization with domain knowledge to design more effective rewards and context candidates. In addition, we experimentally show that CAAL outperforms the existing baseline adaptive strategy on public datasets using our reward and context design. Our results are consistent regardless of batch size in each iteration.
Authors: Zhanke Zhou, Xiangyu Lu, Chentao Cao, Brando Miranda, Tongliang Liu, Bo Han, Sanmi Koyejo
Abstract: RL with verifiable rewards can substantially improve LLM reasoning, yet standard GRPO-style training often treats easy, hard, and learnable questions alike through uniform sampling and weighting, leading to inefficient compute allocation. We study GRPO by tracking token log-probabilities, group-normalized advantages, and the induced token-level update weights. This reveals three recurring dynamics as training proceeds: (1) confidence inflation, (2) advantage contraction, and (3) hierarchical convergence. These findings suggest that the utility of each update depends strongly on both question difficulty and the model's current competence. Motivated by this, we propose Confidence and Difficulty-adaptive Policy Optimization (CoDaPO), which assigns each question a bounded value from rollout confidence and empirical difficulty. CoDaPO then uses this value to reweight policy updates and resample high-value learnable questions within mini-batches, thereby increasing discovery within the learnable band under a fixed compute budget. Across twelve benchmarks, CoDaPO consistently improves accuracy over existing RL methods. Our code is publicly available at https://github.com/tmlr-group/CoDaPO.
Authors: Prayas Agrawal, Prateek Chanda, Ishita Khatri, Ganesh Ramakrishnan, Bamdev Mishra, Pratik Jawanpuria
Abstract: Training large language models (LLMs) on heterogeneous data requires selecting minibatches that balance convergence speed with coverage across domains. Existing methods either select samples independently within each domain or rely on computationally expensive proxy models to learn continuous domain weights. We propose PartitionSel, a cross-domain minibatch selection approach that maximizes a validation-guided gradient-matching utility under per-domain budgets encoded as a partition-matroid constraint. By coupling the per-domain budgets through a single utility, PartitionSel is designed to reduce redundancy in selections across domains. The proposed objective is weakly submodular and admits an orthogonal matching pursuit algorithm with provable approximation guarantees. Empirically, we evaluate PartitionSel for minibatch selection during the fine-tuning of Qwen2.5 and Llama-3 on MetaMathQA and Mol-Instructions. PartitionSel achieves robust gains over per-domain and domain-agnostic baselines on both benchmarks. It also reduces the number of conflicting gradient pairs within each batch, indicating that the cross-domain coupling translates into more compatible training updates.
Authors: Shreesh Bhattarai, Harish Chandra Bhandari
Abstract: High-dimensional transient heat diffusion under noisy boundary conditions exposes a fundamental limitation of classical numerical methods: accuracy degrades catastrophically where physical noise is unavoidable. This paper presents a Physics-Informed Neural Network (PINN) framework as a systematic solution to this problem across one, two, and three spatial dimensions, establishing clear operational regimes that redefine solver selection in noisy thermal systems. Under 20% boundary noise in 3D, PINN sustains approximately 91% accuracy while Finite Difference Method (FDM) collapses to 36%, a clear decisive advantage. This is further confirmed in a physical copper thermal system, where PINN reduces boundary reconstruction error by 3.3 times under realistic noise conditions. This noise resilience is accompanied by a dimensionality-driven efficiency crossover: PINN requires fewer spacetime nodes than FDM in 3D while achieving superior accuracy, exposing the true cost of classical discretization at scale. These findings reframe solver selection: the decisive axis is not accuracy alone, but noise exposure and dimensionality jointly. When noise and dimensionality are both high, the classical solver paradigm is insufficient; this work provides the foundation to justify PINN as the operational standard in such regimes.
Authors: Ian Seet, Jonas Bozenhard, Simon Ostermann
Abstract: Recent advances in generative AI, especially powerful Large Language Models (LLMs) and Large Reasoning Models (LRMs), raise concerns over the interpretability, safety and sustainability of these large and opaque AI models. The power of such architectures is derived not only from the scalability of deep neural networks, but also massively parallel hardware such as GPU clusters. The diffuse nature of deep neural networks gives them great function-approximation capability when provided with sufficient training data but imposes a cost in interpretability and computational efficiency. Observing that localised machine learning (ML) models tend to be more interpretable and computationally efficient than deep neural networks on small datasets, we reason by analogy that similar advantages may apply to specific localised hardware ML architectures. We argue that localised architectures with lower bandwidth but higher expressivity per node have the potential to be fundamentally more interpretable than deep neural networks running on GPU clusters while remaining competitive for smaller datasets. We then evaluate the suitability of various hardware ML paradigms for implementing such localised architectures and evaluate their per-node expressivity, energy efficiency and practical maturity of the technology required.
Authors: Emre Alyamac, Himanshu Janmeda, Shashwat Krishna, Yash Vijay
Abstract: Catastrophic forgetting, the abrupt loss of previously acquired knowledge upon learning new information, remains the central challenge in Continual Learning. This project investigates whether the order in which a model learns information affects how well it retains knowledge. Specifically, we ask: does learning general categories first (like "animals" vs "vehicles") before learning specific classes (like "dog" vs "cat") reduce forgetting compared to learning all classes at once? We test three approaches on CIFAR-100: (1) Coarse-to-Fine: train on 2 super-classes, then expand to 10 specific sub-classes, (2) Fine-to-Coarse: train on 10 sub-classes, then group into 2 super-classes, and (3) Flat: train on all 10 classes from the start. We use Elastic Weight Consolidation (EWC) to prevent forgetting during transitions. Our hypothesis is that learning general patterns first creates a stable foundation that helps the model retain knowledge when learning more detailed distinctions. We evaluate using standard metrics (accuracy, precision, recall, F1) plus continual learning metrics like backward transfer and forgetting rates. This work could inform how we design learning sequences for real-world systems that need to learn incrementally.
Authors: Jun He, Deying Yu
Abstract: As large language model (LLM) agents are integrated into autonomous cloud operations, distributed systems face a semantic reliability problem: proposer agents can generate production mutations, such as modifying IAM policies, opening firewall security groups, or executing data exports, that are syntactically valid and statically authorized but operationally unsafe. Classical distributed consensus protocols replicate deterministic state transitions but do not evaluate the safety of the proposed intent. To address this gap, we introduce Semantic Quorum Assurance (SQA), a control-plane primitive for governing non-deterministic agentic infrastructure. SQA represents proposals as declarative execution contracts bound to cryptographic evidence chains and routes them to a diverse panel of read-only, sandboxed validator agents. SQA aggregates their judgments under a risk-adaptive quorum predicate that enforces model and archetype diversity, adjusts weights based on calibrated assurance scores, and respects archetype-specific vetoes. Admitted proposals execute only through a sovereign execution gate. We instantiate SQA in a cloud-native control plane and formalize a correlated cognitive failure model for non-deterministic validators. On 500 infrastructure-inspired mutation scenarios, with safety results reported on held-out safe/unsafe trials excluding ambiguous scenarios, SQA reduces unsafe approval from 18.5% for single-agent validation to 0.3% while adding median validation latency of 1.45--4.12 seconds across the studied risk buckets.
Authors: Yongqi Jiang, Yansong Gao, Siguang Chen, Anmin Fu
Abstract: Vertical federated learning (VFL) is a distributed learning paradigm that leverages vertically partitioned features across isolated parties without sharing raw samples; however, it remains vulnerable to active sample reconstruction attacks. Existing defenses fail to achieve a satisfactory trade-off between model utility and privacy protection, due to either suppressing task-relevant information alongside privacy-sensitive features or relying on end-to-end supervised training to converge the defense module, which exposes the model to early-epoch vulnerability. To address this challenge, we adopt a structural causal model (SCM) insight and construct CausShield. From a task-learning standpoint, causal features within a raw sample are those that are directly relevant and contributory to the learning objective, whereas non-causal features are task-irrelevant but often encode sample-specific private information, thereby facilitating reconstruction. Importantly, we lay a theoretical foundation to prove this insight. CausShield thus decomposes the shared representations between the client and the coordinating server in VFL into task-relevant and task-irrelevant components to ensure full-cycle privacy protection. Nonetheless, the decomposition is inherently challenging due to the dual objectives of preserving model utility while mitigating privacy leakage. We address this via a carefully formulated optimization problem, which is solved through unsupervised representation learning. We further theoretically prove that CausShield preserves the convergence behavior of standard VFL. Extensive experiments compare CausShield against seven SOTAs, including InvL (USENIX Security'25), and evaluate robustness against advanced reconstruction attacks such as URVFL (NDSS'25). Results demonstrate that CausShield consistently outperforms in privacy protection, model utility, and computational efficiency.
Authors: Wentao Zhang, Yutong Zhang, Wentao Mo
Abstract: We study high-probability regret bounds for online convex optimization (OCO) with strongly convex losses and establish three results that resolve open questions at the intersection of noise adaptivity, feedback structure, and constraint satisfaction. For the full-information setting with sub-Gaussian stochastic gradients, we prove a noise-adaptive high-probability regret bound in which the martingale deviation term scales with the noise level $\sigma$ rather than the gradient bound $G$, yielding a multiplicative improvement of $G/\sigma$ over the classical Azuma-Hoeffding baseline. Our analysis introduces an exponential supermartingale argument that bypasses the bounded-difference requirement of Freedman's inequality, enabling direct treatment of unbounded sub-Gaussian noise without truncation artifacts. For bandit feedback, we prove a minimax lower bound: the high-probability regret scales linearly in $\log(1/\delta)$, in contrast to the $\sqrt{\log(1/\delta)}$ confidence cost under full information. This constitutes a formal separation in the confidence cost of strongly convex OCO across feedback models. Regarding constrained OCO with stochastic constraints satisfying a Slater condition, we provide simultaneous high-probability guarantees for both cumulative regret and long-run constraint violation, achieving $\mathcal{O}(\sqrt{T\log(m/\delta)})$ regret and $\mathcal{O}(\sqrt{T}/(\zeta\delta) + m\sqrt{T\log(m/\delta)})$ violation. Synthetic experiments corroborate all theoretical predictions.
Authors: Hongkyu Koh, Ikbeom Jang
Abstract: Electrocardiogram (ECG) classification models often suffer from severe label scarcity, making semi-supervised learning (SSL) an attractive strategy for reducing annotation costs. In clinical settings, however, unlabeled pools frequently contain out-of-distribution (OOD) anomalies or diagnostic groups absent from the labeled set. Standard SSL forces incorrect pseudo-labels onto these unseen classes, producing overconfident predictions. To address this, we propose SafeECGMatch, a calibration-aware safe SSL framework for single-label ECG classification under label distribution mismatch. Methodologically, SafeECGMatch employs a dual-branch architecture extracting time-frequency latent representations via ECG-specific augmentations. Crucially, it dynamically aligns confidence with empirical accuracy through adaptive label smoothing and temperature scaling, calibrating both the multiclass classifier and the OOD detector across temporal and spectral domains. This joint optimization allows trustworthy OOD rejection and reliable pseudo-labeling. Evaluated on the PTB-XL and PhysioNet/CinC Challenge benchmarks, SafeECGMatch achieves state-of-the-art accuracy and calibration, advancing reliable knowledge discovery in physiological time-series. Code is available at https://github.com/labhai/SafeECGMatch.
Authors: Enyi Jiang, Anders Gj{\o}lbye, Yibo Jacky Zhang, Sanmi Koyejo
Abstract: Large Language Model (LLM) safety has often been evaluated at the behavior level, which provides limited evidence of internal robustness, as these evaluations target outputs rather than representation-level vulnerability under intervention. We formalize this discrepancy as the audit gap: the difference between behavioral safety and robustness under intervention. To study this gap, we construct dissociated models that preserve safe outward behavior while remaining vulnerable in the latent space. We introduce an intervention-based evaluation framework to test model robustness through soft interventions in parameter and latent spaces, including harmful fine-tuning and layer-wise latent perturbations. To formalize the evaluation, we propose the Latent Vulnerability Score (LVS) to measure how easily harmful behavior can be elicited by bounded latent perturbations. Using this evaluation framework, we show that behavioral safety metrics are insufficient measures of representation-level robustness across multiple safely and unsafely aligned state-of-the-art models. Notably, dissociated models show substantially elevated LVSs despite comparable refusal behavior under harmful intervention, with intermediate representations being the most sensitive to intervention. Our results suggest that behavioral safety evaluation alone provides an incomplete picture of model robustness, motivating representation-aware audits of latent vulnerability and observable behavior.
Authors: Zhanke Zhou, Bo Han, Xuan Li, Jiangchao Yao, Sanmi Koyejo, Michael K. Ng
Abstract: Graph neural networks (GNNs) are widely deployed on relational data, yet they can leak sensitive or proprietary information about the training graph adjacency, e.g., social ties, transactions, and interactions. This work studies graph reconstruction attacks (GRA), a form of model inversion that reconstructs the training adjacency from a trained GNN, given different levels of attacker-side information. We first provide a systematic characterization of when and why adjacency becomes recoverable through features, labels, embeddings, and predictions, with leakage modulated by graph homophily, heterophily, and the model's inductive bias. Motivated by these findings, we view GNN inference through a Markov chain approximation lens, treating the layered forward computation as a chain of topology-dependent representations. Building on this view, we develop complementary attack and defense methods. On the attack side, we propose MC-GRA (+), which reconstructs the adjacency by optimizing a surrogate adjacency whose GNN-induced representations align with those of the target model at each layer. On the defense side, we propose MC-GPB (+), which suppresses adjacency-dependent information throughout the representation chain while aiming to preserve classification accuracy under a privacy-utility trade-off. Experiments across homophilic/heterophilic graph benchmarks and GNNs show that our attacks improve reconstruction fidelity over prior methods, while our defenses reduce reconstruction success with only minor accuracy loss.
Authors: Yi Xie, Zhanke Zhou, Chentao Cao, Bo Liu, Bo Han
Abstract: Multi-agent large language model (LLM) systems often fail to reliably outperform a single strong model equipped with best-of-N sampling. We argue that a core source of this instability is ill-posed equilibrium selection: current systems specify what information agents share, but not which coordination convention should be selected. We formalize a broad class of such systems as discounted incomplete-information Markov games and show that two common pathologies, oscillation between competing conventions and drift across them, can both induce unstable learning and linear Bayesian regret. To obtain a well-posed target, we introduce the Heterogeneous Quantal Response Equilibrium (HQRE), an entropy-regularized equilibrium concept with agent- and state-dependent temperatures. Under a monotonicity condition, HQRE is unique, admits linearly convergent mirror updates, and yields bounded Bayesian regret; the same condition yields rollout-measurable stability diagnostics. We instantiate this objective in two algorithms: DICE-PC, which coordinates frozen models through prompt-control actions, and DICE-FT, which performs parameter-efficient mirror fine-tuning. Across eleven benchmarks in four domains, DICE improves accuracy-cost trade-offs over strong within-class baselines; on reasoning and planning tasks, DICE-PC improves by 4.3 percentage points on average and DICE-FT by 8.5 points.
Authors: Qing Miao, Yiming Zhao, Jing Yang, Chenxi Liu, Yuehai Chen, Yuewen Liu, Shaoyi Du, Badong Chen
Abstract: Reinforcement Learning from Verifiable Rewards (RLVR) has recently become a key paradigm for improving the reasoning abilities of Large Language Models (LLMs), yet it remains limited by sparse binary rewards and its ignorance of model-internal uncertainty. In this paper, we propose ConSteer-RL, a simple yet effective framework that integrates token-level confidence signals derived from model log-probabilities into RLVR training. Specifically, building upon the Group Relative Policy Optimization (GRPO) framework, we construct a confidence-aware reward by aggregating per-token probabilities into a scalar confidence score and incorporating it into an awareness-based reward shaping mechanism that penalizes overconfident errors while reinforcing correct and confident reasoning. Experimental results demonstrate that ConSteer-RL consistently outperforms strong GRPO baselines, achieving average improvements of 2.3%-4.0% across different model scales.
Authors: A Shivram, Aneesh S. Chivukula, Manik Gupta, Sourav Chowdhury
Abstract: Multimodal $\Delta\Delta G$ predictors integrating protein language models with inverse-folding representations achieve strong in-distribution accuracy on the Megascale dataset but exhibit limited robustness on out-of-distribution (OOD) proteins, persistent forward-reverse bias on paired-mutation benchmarks, and under-representation of rare stabilizing mutations. Existing approaches address these limitations primarily through additional architectural components, leaving optimization-level intervention comparatively underexplored. We introduce a constraint-aware optimization framework combining Balanced Mean Squared Error, a Siamese anti-symmetric regularizer, and a novel OOD-margin consistency loss on the per-position feature representation, requiring no architectural changes to the SPURS backbone. Across eleven benchmarks and three random seeds, the framework improves Spearman correlation on S669 from 0.486 to 0.540 ($\sigma=0.002$ across seeds), matching the published SPURS baseline (0.50) without architectural modification, and on S461 from 0.653 to 0.711, with consistent smaller gains on five additional OOD datasets. A controlled diagnostic on Ssym reveals that anti-symmetric training does not eliminate systematic forward-reverse bias, indicating that gains arise through implicit regularization rather than exact thermodynamic constraint enforcement.
Authors: Lukas Fesser, Mozes Jacobs, Thomas Fel, Andy Keller, Sham Kakade
Abstract: When attention concentrates on a single token, a sink, what is the model actually computing? Attention sinks are ubiquitous in softmax transformers, yet this shared visual signature can hide fundamentally different algorithms. We show that visually similar sink patterns can reflect two distinct mechanisms: {i} adaptive nop, where a head suppresses its update by routing to a null token, and {ii} broadcast, where a sink aggregates and redistributes global information. In that case, sinks serve an analogous role: a safe destination when there is nothing useful to compute. Proposed interventions like gating or registers work because they implicitly target one or the other, revealing a duality between method and assumed mechanism: gating implicitly assumes nop; registers implicitly assume broadcast. Each mechanism leaves distinct traces (nop sinks exhibit negligible value norms; broadcast sinks induce low-rank outputs) which we formalize on synthetic tasks and use to derive practical diagnostics. Applied to pretrained vision transformers, these diagnostics reveal that both mechanisms exist at scale: sinks transition from CLS in early layers to patches in deeper layers, and concentrate in specialized heads. Strikingly, register tokens, designed for broadcast, are repurposed to also serve nop, confirming that neither intervention alone suffices. Combining gating with registers yields complementary gains in stability and performance. Overall, we find that the same attention pattern can reflect two very different computations and effective intervention requires first asking what the model is actually computing.
Authors: Lei Luo, Jian Yang
Abstract: A small Wasserstein distance does not certify that a transformation is admissible. In evidence-constrained, semantic, causal, physical, monotone, or risk-sensitive learning, one must ask not only how far two probability laws are, but whether mass has moved in a direction allowed by available information. We introduce conditional random ordered transport spaces (CROTS), a class of \(L^0\)-valued spaces of random probability measures equipped with a Wasserstein ambient metric, a closed stochastic order, hard and soft ordered transport discrepancies, and a conditional risk functional for evaluating order violation under an evidence sigma-field. The central object is an order-admissible transport geometry for random measure-valued dynamics, distinct from cone-valued metrics, ordered Kantorovich constructions, random Wasserstein spaces alone, and model-specific residuals for generative paths. We develop the foundations of CROTS as a space theory for reliable distributional learning. The results include well-posedness and duality for hard and soft ordered transport, soft-to-hard variational convergence, measurability and completeness of the random lifted space, reductions to classical Wasserstein and ordered geometries, ordered geodesics, constrained barycenters and projections, conditional risk-transport duality, and separation of order-violating distributions. The main stability theorem shows that random learning dynamics may converge in the ambient Wasserstein metric while its local admissibility leakage follows a separate conditional order-risk recursion. The resulting asymptotic order-risk floor provides a mathematical language for evidence overreach, ordered distribution shift, robustness failure, and admissible distributional dynamics.
Authors: Mohammadamin Davoodabadi, Amirabbas Shakeri
Abstract: Supply Chain Finance (SCF) and LendTech platforms need credit scoring systems that respond to evolving transaction behavior, repayment delays, and active exposure. We propose TRUST-SCF, a transformer-based framework for transaction-level risk prediction and dynamic credit scoring. Each user history is represented as a sequence of transaction tokens containing utilization, repayment delay and transaction position. The main contributions are: (1) a financially aligned attention bias that combines utilization similarity and recency, enabling the model to compare repayment behavior under comparable exposure conditions; (2) continuous repayment-delay prediction in a log-transformed target space, reducing the influence of extreme delays while improving sensitivity to short-delay behavior and (3) a label-efficient credit-scoring pipeline in which the final credit score is not trained using any explicit external credit-score label, but is instead derived from predicted delay, potential risk over simulated utilization, actual unpaid exposure, and nonlinear calibration. Experiments on real transaction data from more than 300,000 transactions show that TRUST-SCF improves delay prediction over sequential baselines and produces scores that are strongly associated with future repayment behavior. These results suggest that TRUST-SCF is a practical framework for adaptive credit scoring and transaction-level risk mitigation in SCF and LendTech environments.
Authors: David Eje, Tanmay Sharma, Khush Patel, Manuel Mazzara, Leonard Johard
Abstract: Detecting anomalies in large-scale system logs is critical for the reliability and security of modern computing infrastructure. We present LogNEO, a log anomaly detector built on EleutherAI's GPT-Neo (1.3B parameters) and fine-tuned with a novel partial-credit, exponentially decaying position-aware reward scheme combined with cross-entropy regularisation via Proximal Policy Optimisation (PPO). The position-aware reward explicitly models prediction difficulty: early positions receive higher rewards for correct predictions, while later positions incur stronger penalties for errors. LogNEO attains F1-scores of 0.927, 0.913, and 0.984 on the HDFS, BGL, and Thunderbird benchmarks, improving recall by up to 6 percentage points over the prior state-of-the-art LogGPT while maintaining comparable precision. A production microservice deployment over Apache Kafka, Redis, and TensorRT-accelerated inference demonstrates 45 ms end-to-end latency at 15,000 events per second.
Authors: Andreas Margraf, Henning Cui, J\"org H\"ahner
Abstract: Reliable integration and solid configuration of monitoring systems constitute a fundamental prerequisites for achieving high efficiency and productivity in contemporary manufacturing environments. Design decisions on sensor type and system architecture have to be made at an early stage and under comparably high uncertainty. This work investigates a research direction that deviates from the traditional monitoring-system development process by shifting the attention from algorithm design to a deeper analysis of the inspection problem. In contrast to traditional design cycles, this paper proposes to gradually collect knowledge and store it in an abstract system model. This enables the retrieval of similar solutions for future use cases, preventing the need for expensive model training from scratch and allowing instead for the incremental refinement of existing base configurations. Reuse of previously generated pipelines reduces the risk of late and costly revisions. As there is little knowledge on cross-domain transferability of filter pipelines, this study analyzes the potential of retrieving filter pipelines to transfer them to different but similar segmentation problems. Finally, we statistically analyze the benefits of this `transfer learning' variant which is predominantly applied to image segmentation problems. In addition, we discuss how simple models help balancing the trade-off between complexity, technical requirements, and reliability in the design process.
Authors: Jiechen Huang, Hector R. Rodriguez, Dingcheng Yang, Zuochang Ye, Yibo Lin, Wenjian Yu
Abstract: As capacitance extraction accuracy of rule-based pattern matching becomes difficult to sustain at advanced nodes, a growing trend emerges to develop deep-learning-based 2D capacitance models. However, existing MLP- and CNN-based methods constrain their input to fixed metal-layer combinations in a specific process node, limiting their usability in practice. Recognizing the inherent similarity between capacitance matrix and the prevailing attention mechanism, we propose AttentionCap, a customized Transformer for capacitance matrix learning, with a Gram representation framework, a physics-aligned symmetric-attention output layer, and a novel normalized Laplacian loss. We also introduce a process-node embedding to enable multi-node learning. Trained on synthetic data, AttentionCap attains 0.67\%/3.99\% self/coupling-capacitance error on unseen real designs under a multi-layer and multi-node setting, surpassing the CNN-Cap baseline with 4.6$\times$/5.7$\times$ lower self/coupling error and 192$\times$ faster inference speed. A pretrained AttentionCap accurately transfers to an unseen node with only 5K samples and 4K finetuning steps. With sufficient accuracy on unseen real designs and strong transferability to new process nodes, AttentionCap offers highly practical value for modern EDA workflows. Code and data are available at https://github.com/THU-numbda/AttentionCap.
Authors: Rui Dai, Shuran Zheng
Abstract: Recent research has established empirical scaling laws to predict model performance on multi-domain data mixtures. However, a theoretical understanding of these model loss behaviors remains absent. In this work, we propose a unified framework to explain the underlying mechanics of data mixing. Our approach extends theoretical perspectives originally developed for standard neural scaling laws (e.g., Kaplan and Chinchilla) to the multi-domain setting. Based on the distributional assumption that domains overlap on fundamental skills while diverging on specialized skills, we identify two key factors that govern the domain losses of models trained on different data mixtures: \textit{Capacity Competition}, where the allocation of finite model capacity couples domain losses globally, and \textit{Noise Reduction}, where optimal weights shift toward harder-to-learn domains to minimize overall noise. Empirical evaluations show that our framework outperforms existing baselines by fitting the loss landscape with a lower Mean Relative Error and identifying higher-performing training mixtures. Most importantly, our model successfully extrapolates across scales, predicting highly effective mixtures for large, unseen scales using parameters fitted on smaller ones. In addition, our model achieves these results using significantly fewer parameters compared to previous empirical laws. Our code is available at https://github.com/meiqwq/Explaining-Data-Mixing-Scaling-Laws.
URLs: https://github.com/meiqwq/Explaining-Data-Mixing-Scaling-Laws.
Authors: Kewei Li, Rongying Zhang, Xueli Wang, Xiwen Gong, Zhongjian Wang, Lan Huang, Ruochi Zhang, Fengfeng Zhou
Abstract: Token aggregation is a common bottleneck in models that map token representations to sample-level predictions, yet most pooling methods operate only in the original token domain. We propose FLaG, a plug-in aggregation module that transforms token representations with the real FFT, summarizes spectral components with learnable latent queries, applies a channel-wise gate, and reconstructs enhanced time-domain tokens for final pooling. We evaluate FLaG on antimicrobial peptide (AMP) activity prediction with ESM2, image classification with ResNet18 on CIFAR-10 and CIFAR-100, and text classification with RoBERTa on IMDB and GLUE. FLaG achieves its clearest gains on the ESM2-8M antimicrobial peptide tasks and on CIFAR-100, while remaining competitive with strong text baselines on IMDB and GLUE. Then we probe its behavior on the AMP setting with band knockouts, gate summaries, residue perturbations, latent-query readouts, and structure-proxy stratification. We find that low-frequency bands contribute the most overall, and the remaining higher-band pattern is more sample-specific. The gate acts as a broadly shared spectral reweighting stage and the cross-attention patterns are sample-specific with mild query-wise differentiation, and higher-helix peptides exhibit stronger average spectral sensitivity in both bacteria. The supplementary materials, source code and data are released at https://www.healthinformaticslab.org/supp/ and https://github.com/Kewei2023/AMPCliff/tree/FLaG.
URLs: https://www.healthinformaticslab.org/supp/, https://github.com/Kewei2023/AMPCliff/tree/FLaG.
Authors: Alonso Urbano, David W. Romero, Max Zimmer, Sebastian Pokutta
Abstract: Neural fields parameterize data as functions from coordinates to values, providing a unified framework for representation learning across modalities. Existing approaches are dominated by per-sample meta-learning, which scales poorly due to memory-intensive inner-loop optimization. The natural alternative -- feed-forward encoding -- typically introduces modality-specific assumptions, sacrificing the generality that makes learning with neural fields attractive. We argue that locality and hierarchy are useful priors for learning field representations that can be injected without compromising modality-agnosticism. We propose LH-NeF, a framework to learn general-purpose tokenized representations of continuous signals. A locality-preserving hierarchical encoder maps raw coordinate-value field observations to structured tokens, from which the field is reconstructed during training. By replacing meta-learning's inner loop with a single forward pass, LH-NeF uses 42$\times$ less memory and supports 133$\times$ larger batches than the strongest modality-agnostic baseline. Across images, 3D shapes, and climate fields, our learned representations match or exceed performance of modality-agnostic, modality-specific, and specialized generative neural field baselines on both reconstruction and downstream tasks.
Authors: Lokman Saleh, Hafedh Mili, Mounir Boukadoum
Abstract: Solving machine learning problems is complex and typically reserved for experts. Over the past two decades, systems have emerged to support non-experts. Based on our review, we identify three categories: (1) fully automated AutoML systems, (2) expert cheat sheets for algorithm selection, and (3) decision-support systems using selection criteria (accuracy, transparency, data requirements). We propose a new platform combining categories 2 and 3 to deliver semi-automated, intelligent solution recommendations for non-experts. Unlike existing approaches that recommend a single algorithm, our platform suggests a complete pipeline tailored to the user's problem. It integrates expert-defined selection criteria with transfer learning and automatically extracts data characteristics (e.g., class imbalance, missing values) from user-provided datasets. The platform uses first-order logic to reason over its knowledge base and recommends suitable algorithms ranked by relevance. It features a user-friendly interface and connects to a crowdsourcing platform for ML experts, ensuring continuous updates. The platform is built incrementally, allowing seamless integration of new algorithms, criteria, and domain knowledge. To our knowledge, this is the first free, publicly accessible online framework that systematically captures and operationalizes expert knowledge to guide non-experts in solving ML problems in a structured, transparent manner.
Authors: Mark Kozdoba, Shie Mannor
Abstract: Compositional priors describe the generic properties of layered functions in deep Bayesian models, where deep neural networks with random weights are a canonical example.In the wide-network limit, the prior is a Gaussian process with a depth-dependent kernel, and its behaviour as depth grows has been extensively studied through this kernel. Here, we study another case, where each layer itself is a vector valued Gaussian process, and our aim is similarly to understand the limiting behaviour of the prior as depth grows. Previous GP work has established that for the RBF kernel and a certain range of bandwidths $r$, the prior degenerates in the limit, converging to the set of constant functions -- which is not useful as a probabilistic model. In this paper we establish several new results. First, we identify a sharp bandwidth threshold $r_c(d) = \Theta(\sqrt{d})$ above which the limit is degenerate, strengthening the earlier bounds. Second, and more importantly, we show that for $r$ below the threshold $r_c(d)$ the prior converges to a limit distribution $\pi_{\bar{Z}}$. We also prove that these distributions are non-degenerate and non-Gaussian, with non-vanishing dependence between coordinates. In contrast to the previously known degenerate regime, deep Gaussian process priors can therefore admit non-trivial limits. Empirically, we verify the threshold across a range of dimensions $d$, and demonstrate a complex multimodal behaviour of the limit distributions $\pi_{\bar{Z}}$ -- a regime that becomes increasingly narrow with $d$ and would be hard to identify without knowing the threshold.
Authors: Haozhe Huang, Manuel Gonzalez Lastre, Hyun Suk Park, Jorge A. Campos-Gonzalez-Angulo, Xinjian Liu, Al\'an Aspuru-Guzik
Abstract: Designing OLED molecules with targeted optical properties remains challenging due to the scarcity of high-quality data and the limited reliability of conditional control in generative models across chemical motifs. Here, we benchmark a token-conditioned autoregressive language model for OLED molecular generation in a realistic low-data regime. A GPT2 model is pretrained on large chemical corpora, augmented with discrete property tokens, and fine-tuned using multi-task optimisation. Conditioning targets vertical absorption energy and oscillator strength, with the HOMO-LUMO gap included as an auxiliary electronic descriptor. Generated molecules are evaluated at the TDDFT level to assess distributional fidelity and controllability. The generated library reproduces the dominant optical-property support of the training distribution while shifting towards lower molecular weight and fewer heavy atoms. Token-level control is consistently directional across conditioning bins, but is not fully orthogonal and exhibits local calibration irregularities. A chemotype-resolved analysis further shows that controllability depends strongly on local electronic environments: moderately conjugated aromatic-carbon motifs are associated with improved joint target satisfaction, whereas electron-withdrawing motifs, particularly aryl nitriles, show systematic red-shifting and reduced controllability. These results establish a quantitative benchmark for conditional OLED molecular generation and show that model reliability must be assessed in chemically meaningful subspaces rather than from aggregate property distributions alone.
Authors: Soumik Dutta, Kiarash Naghavi Khanghah, Sania Shree, Logan McNeil, Thomas Feldhausen, Hongyi Xu, Rajiv Malhotra
Abstract: Constitutive modeling of the relationship between process-imposed material states and fundamental material properties is critical to control of material microstructure in manufacturing processes. The limited accuracy resulting from the typical reliance on fallible human expertise and intuition for postulation and revision of the models functional form results in incremental and time consuming model discovery. Conventional Machine Learning (ML) incurs significant cost and time of data generation. Model discovery using Large Language Models (LLMs) suffers from the above issues and/or ignores the inviolability of fundamental thermodynamics laws. This work creates a novel GPT-Micro paradigm for autonomous, data sparse, and thermodynamics-compliant discovery of de-novo constitutive models. This framework seamlessly integrates semantic knowledge extraction from literature, enforcement of thermodynamics-based conservation laws, and sparse datasets, with LLM-driven generation and refinement of model hypotheses. Validation is performed for a long-intractable constitutive modeling problem in a printed electronics process testbed. This reveals significant and simultaneous advantages over the state-of-the-art including: (a) More than 70 percent reduction in data burden relative to ML-based modeling without loss in accuracy; (b) 400X reduction in discovery time after data generation, from months to hours, relative to human-driven modeling; (c) Discovery of models with novel functional forms without subjective human choice of a starting hypothesis; (d) Enhanced physics-rooted trustworthiness, human interpretability, and mechanistic insight via synthesis of compact, conservation-compliant, and physically complete analytical models. The potential of GPT-Micro to realize rapid, low-cost, physically trustworthy, and interpretable microstructure modeling across the manufacturing landscape is discussed.
Authors: Toan Tran, Arturs Backurs, Zinan Lin, Victor Reis, Li Xiong, Sergey Yekhanin
Abstract: This paper investigates the problem of generating synthetic tabular data with differential privacy (DP) guarantees, enabling data sharing in sensitive domains. Despite extensive study, state-of-the-art methods often focus on minimizing low-order marginal query errors and overlook the challenges posed by high-order correlations. To address this gap, we extend the Private Evolution (PE) framework, originally developed for DP-compliant image and text synthesis, to tabular data. We introduce Tab-PE -- an algorithm for synthetic tabular data generation under DP constraints. Tab-PE iteratively improves a candidate dataset via an evolutionary process that leverages tabular-specialized operators to produce variations, privately scores them, and selects the highest-quality samples to retain and propagate. In contrast to the original PE, which relies on large foundation models, Tab-PE employs heuristic operators with significantly lower computational costs, making PE more practical and scalable for tabular data. Through extensive experiments on real-world and simulation datasets, we demonstrate that Tab-PE substantially outperforms prior baselines on datasets exhibiting high-order correlations. Compared to the best baseline -- AIM, Tab-PE improves classification accuracy by up to 10% while running 28 times faster.
Authors: Kexuan Zhang, Xiaobei Zou, Cesare Alippi, Gary G. Yen, Yang Tang
Abstract: Recent advances in Large Language Models (LLMs) have opened new possibilities for time series forecasting by enabling alignment between temporal patterns and pretrained word embeddings. However, most LLM-based methods overlook the heterogeneous nature of time series, where dynamic fluctuations and invariant semantics are entangled. This entanglement introduces spurious correlations during the alignment, as dynamic components act as confounders by simultaneously influencing invariant components and the resulting aligned embeddings. To address this issue, a variable-level alignment framework CVAformer is proposed. CVAformer explicitly disentangles each variable into invariant and dynamic components just before alignment, and applies causal intervention to mitigate the confounding effect of the dynamics. To better support variable-level alignment, CVAformer replaces the standard causal attention in LLMs with a non-causal attention mechanism that captures interactions among variables at each time step. Extensive experiments across long-term, short-term, few-shot, and zero-shot forecasting settings indicate that CVAformer matches or exceeds state-of-the-art performance on most datasets, and in some cases achieves notably better accuracy. Experimental results validate the effectiveness of variable-level alignment and dynamic disentanglement in CVAformer, offering a new perspective for LLM-based time series tasks.
Authors: Jaineet Shah
Abstract: When an LLM agent fails -- issues a refund it should not have, calls the wrong tool, leaks data -- existing tooling answers what happened (observability) or whether it passed (evaluation), but not which step caused the failure. The obvious heuristics are wrong: the step that executes the harmful action is usually not the step that decided on it, and LLM-judge attribution is correlational and unreliable (state-of-the-art step-level accuracy on the Who&When benchmark is about 14%). We present Causal Agent Replay (CAR), which answers the question by intervention: it models an agent run as a structural causal model, applies a do-operation to a step, and re-executes the trajectory forward under the same stochastic policy, measuring the shift in the outcome distribution. We define an intervention algebra over agent steps, a single-step contrastive estimator whose point-of-commitment rule resolves a confound specific to stochastic run-forward, and a budget-bounded Monte-Carlo Shapley estimator that splits credit across interacting steps. Every effect is reported with confidence intervals. We validate against synthetic structural causal models with planted ground truth: the contrastive estimator recovers the pivotal step, and Shapley recovers a two-step interaction (0.44, 0.45, ~0; efficiency sum 0.909 versus the analytic 0.91). CAR is open source and runs on hosted or free local models.
Authors: Josiah D. Kunz, Kamal Choudhary
Abstract: Finite element analysis (FEA) is essential for structural design but remains computationally expensive, particularly when evaluating multiple design iterations or load scenarios. Machine learning surrogate models offer a promising alternative, yet most approaches struggle with a critical limitation: generalizing across varying geometries. This work presents a mesh graph network (MGN) for predicting von Mises stress fields in 2D structural components with arbitrary hole geometries. Unlike traditional machine learning approaches that use absolute node coordinates as features, the proposed model builds on existing MGN frameworks that encode node types (e.g., fixed boundary, free surface, hole edge), relative edge features (distance between neighbors), and global features (applied load). This architecture is inherently translation- and rotation-invariant, enabling generalization to unseen geometries without retraining. The MGN was trained on 11 plate geometries under 20 load conditions and evaluated on 7 unseen geometries and 3 unseen loads. In the most favorable case, the model achieves $R^2 \geq 0.97$ on an unseen geometry and unseen load, compared to $R^2 \approx 0.01$--$0.86$ for conventional models (Random Forest, Gradient Boosting , K-Nearest Neighbors) trained on identical data. However, even in less favorable cases, the MGN model still outperforms conventional models. This work extends the mesh-based simulation framework of Pfaff et al. (arXiv:2010.03409) to structural mechanics, demonstrating that graph neural networks can serve as efficient surrogates for finite element analysis across varying geometries.
Authors: Rok Hribar, Gregor Papa, Janez Povh, Andrej Kastrin
Abstract: We study the symmetric multi-type orthogonal non-negative matrix tri-factorization problem, where several symmetric non-negative matrices are simultaneously approximated by factors of the form $GS_{i}G^{\top}$, with a shared non-negative and orthogonal factor $G$. This model is motivated by clustering and network analysis, where non-negativity improves interpretability and orthogonality gives a natural assignment-type structure to the latent factor. Since the resulting optimization problem is highly non-convex, we develop two heuristic algorithms for computing high-quality local solutions. The first one is a fixed point method derived from the Karush-Kuhn-Tucker conditions after adding a penalty term for the orthogonality constraint. The second one is a three-stage ADAM-based method that combines non-negativity-preserving optimization, orthogonalization, and restricted ADAM refinement on the feasible set. We evaluate both methods on synthetic data, including noisy instances, and on citation network benchmarks. The synthetic experiments show that both algorithms recover factorizations close to the optimum and remain stable under noise. On real networks, the learned embeddings are competitive with or better than standard baselines such as SVD, node2vec, and classical link prediction heuristics in link prediction, node clustering, and node classification tasks.
Authors: Aishwarya Chakravarthy, Vidhi Kulkarni, Duen Horng Chau
Abstract: Many real-world queries over personal data span multiple applications and require structured planning, as individual tools expose only partial information. While LLMs show strong reasoning and tool use, reliably executing multi-step, cross-tool queries remains challenging. We introduce a system that converts natural language queries into structured graphs and executes them via a deterministic planner. Our approach uses depth-first search to resolve dependencies and combine results across tools, improving reliability and enabling queries beyond traditional keyword-based search. We demonstrate high accuracy even with smaller or locally hosted LLMs.
Authors: Toan Tran, Waqwoya Abebe, Abhishek Potnis, Supriya Chinthavali, Cyrus Shahabi, Li Xiong, Dalton Lunga
Abstract: This paper investigates a novel concept of time series geolocalization, where the goal is to infer the geographic origin of each raw time series. Successful geolocalization can provide spatial context to time series, enabling downstream location-aware applications. We formalize the problem, adapt core ideas from image geolocalization to establish strong baselines, and propose GeoGNN, a two-tower architecture. During training, GeoGNN's spatial tower learns embeddings of geographic cell candidates by leveraging the geographic adjacency graph, while the temporal tower extracts informative representations from time series. During inference, each temporal representation is matched against candidate geographic embeddings using dot-product similarity, combined with an auxiliary classification head, to predict the time series' associated geographic origin. Experiments on large-scale, countrywide electricity-consumption datasets demonstrate that GeoGNN achieves the best performance across datasets and enhances both fine- and coarse-grained geolocalization accuracy by ~27% on average.
Authors: Micha{\l} Czuba, Mateusz Stolarski, Adam Pir\'og, Piotr Bielak, Piotr Br\'odka
Abstract: Network dynamics - including spreading, influence maximisation, and epidemic modelling - remain largely confined to the transductive paradigm, where models are trained on a single network and cannot be reused on unseen graphs without retraining. We argue that inductive cross-network generalisation is a necessary prerequisite for Graph Foundation Models (GFMs) in this domain and propose four design properties towards this goal. As a proof of concept, ts-net (TopSpreadersNetwork), trained solely on synthetic multilayer networks (MLNs), demonstrates zero-shot generalisation to real-world MLNs of varying size and layer count, outperforming classical heuristics and transductive baselines on three of four metrics. Based on ts-net's performance, we further outline five open challenges towards building GFMs for network dynamics: scale, many-layer generalisation, self-supervised pretraining, cross-task transfer, and node-attribute integration.
Authors: Joao B. Florindo, Davi Wanderley Misturini
Abstract: Predicting the generalization performance of deep neural networks without relying on hold-out validation data is a fundamental challenge in machine learning. While Stochastic Gradient Descent (SGD) drives the optimization of these highly parameterized models, its heavy-tailed, non-Gaussian dynamics induce complex, scale-invariant trajectories in the parameter space. In this paper, we propose a novel generalization measure based on the Fourier fractal dimension of the network's weight variations. By analyzing the characteristic function of the L\'evy-driven stochastic differential equations in the frequency domain, we extract a metric that robustly captures the geometric complexity of the learning process. Furthermore, we introduce a customized Fourier-based optimizer designed to actively regularize this fractal dimension during training. Extensive empirical evaluations on the CIFAR-10, SVHN, and MNIST datasets demonstrate that our proposed Fourier generalization measure exhibits a strong correlation with the actual generalization gap. Our method achieves state-of-the-art Kendall rank correlation coefficients, outperforming a wide array of existing norm-based, margin-based, and PAC-Bayesian measures. Ultimately, this work highlights the potential of frequency-domain fractal analysis as both a powerful predictor for model generalizability and a principled foundation for developing more stable optimization algorithms.
Authors: Emma Finn, Binxu Wang, T. Anderson Keller, Demba E. Ba
Abstract: Score-based generative models have had remarkable success over the last decade in generating a diverse set of visually plausible images. A variety of architectures including CNNs, U-Nets, and Transformers have been used as the score-approximation network in such diffusion modeling; however, to date, relatively little is known about how these architectural choices impact generative behavior. In this work, to provide insight into this area, we propose an analytically solvable parameterization of the score function using an expansion in a 2D orthogonal wavelet basis. In particular, we derive interpretable optimal score functions in terms of the moments of the data distribution. We use this parametrization to provide an architecture-agnostic, moment-based analysis that reveals which attributes of the data distribution tend to matter most for denoising. Our score machine is flexible enough to partially mimic the relevant inductive biases of multiple architectures, including U-Nets, and CNNs, taking a step towards understanding why different score architectures can exhibit distinct generative behavior. Since our score is solvable in terms of the moments of the data, we can begin to understand how the data distribution interacts with the score network to produce the behavior we observe in diffusion models.
Authors: Andreas Schlapbach
Abstract: To characterize the US airline profit cycles from 1995 to 2020, the authors of Renold et al. (2023) combine k-means clustering, principal component analysis, and system dynamic modelling. We replicate their clustering experiment in three spaces -- the original 7-dimensional raw-variable space, a 3-dimensional PC score space, and a 4-dimensional PC score space using their dataset gratefully included in the paper. We show that the six-cluster taxonomy is geometrically robust: k-means in 3-PC space produces bit-for-bit identical cluster assignments relative to 7D raw space. As a nonlinearity check we apply kernel PCA under six kernels spanning three families plus a linear baseline. All six kernels preserve the six-cluster assignment in 2D. A 1D diagnostic tightens this: the linear kernel conflates the COVID year C_3 with the peak-profit cluster C_0, whereas all five non-baseline kernels shift C_3 to overlap only the post-financial-crisis cluster C_5. Agreement across the kernel families confirms an intrinsically linear manifold with no hidden curvature. The silhouette criterion reveals that the dataset structurally supports only three clusters, not six. Collinearity in the raw 7D space suppresses the silhouette signal that would otherwise identify k=3 as the structurally motivated choice.
Authors: Jason Sulskis, Sathya Ravi
Abstract: We introduce GENERIC-FNO, the first neural operator to embed the full GENERIC (metriplectic) structure of nonequilibrium thermodynamics -- reversible, energy-conserving dynamics and irreversible, entropy-producing dynamics coupled through the degeneracy conditions -- directly in function space. Existing structure-preserving neural operators enforce at most a single conservation law or reversible (Hamiltonian) structure, while thermodynamically consistent learning has been confined to finite-dimensional, graph, or particle systems. GENERIC-FNO closes this gap: it learns the energy and entropy functionals as neural operators and parameterizes the Poisson and friction operators as diagonal Fourier multipliers sandwiched between rank-one projections that enforce the degeneracy conditions exactly, by construction, with no penalty term, update projection, or residual. The degeneracy identities hold to machine precision (residuals ~10^-13) for any initialization, dimension, or resolution, so the continuous-time dynamics conserve the learned energy and produce entropy exactly; the explicit time stepping adds only a small O(dt^2) drift (per-step residual ~10^-6). We further note that the (E,S,L,M) decomposition of a given flow is not unique, and introduce a gauge-invariant dissipation diagnostic separating reversible from dissipative dynamics independently of the learned functionals. Across three operator backbones (1D/2D FNOs and DeepONet) and four PDEs spanning reversible, dissipative, and mixed regimes, GENERIC-FNO preserves its exact structural guarantees zero-shot across a 4x super-resolution range (64 to 256), recovers the ground-truth ordering of physical dissipation, and is competitive with strong unconstrained and energy-penalized baselines, outperforming them on several dissipative and mixed problems at comparable or fewer parameters.
Authors: Lingkai Kong, Hezi Jiang, Andrew Ma, Keyu Wang, Akseli Kangaslahti, Milind Tambe
Abstract: Peer-referral recruitment systems such as respondent-driven sampling are critical for studying and intervening on hidden populations affected by infectious diseases. To accelerate recruitment, public health agencies must adaptively allocate limited referral resources across multiple rounds, where current decisions shape both the number and the covariates of future recruits. Prior work makes this problem tractable by assuming that referrals are drawn i.i.d.\ from a homogeneous population, an assumption that ignores the homophily and shared context that drive real peer recruitment. We instead consider a more realistic model in which both referral capacity and the covariates of newly referred individuals are conditioned on the referrer, learned from data with a censored count model and a conditional generative model. The resulting planning problem is challenging because each candidate allocation induces a different distribution over future recruits. We propose \emph{Generative Frontier Planning} (GFP), a model-based planner that replaces per-step Monte-Carlo sampling with a deterministic backup over a latent covariate-coverage value surrogate. The surrogate is designed so that the expected value of the next frontier depends on the offspring generative model only through finite-dimensional summaries that are amortized offline, and so that the resulting per-round objective is monotone with diminishing returns. Together, these two properties make planning tractable: the deterministic backup eliminates Monte-Carlo sampling, and the diminishing-returns structure lets a marginal greedy allocation achieve a \((1-1/e)\)-approximation for the per-round problem. On a simulation environment calibrated to a real respondent-driven sampling dataset, GFP outperforms random, reinforcement-learning, and i.i.d.\ dynamic-programming baselines across four discount factors.
Authors: Evan Duan
Abstract: Sparse autoencoder (SAE) features are increasingly used to steer language models, but feature steering is rarely clean: the same intervention can behave inconsistently across contexts and perturb unrelated features. We introduce a pre-intervention screening framework for forecasting SAE steering side effects from feature statistics computed before steering. We operationalize side effects along two axes of steering modularity, effect stability and collateral spread, and evaluate GPT-2-small, Pythia-70M-deduped, Gemma-2-2B, and Llama-3.1-8B across ReLU, JumpReLU, and TopK SAE dictionaries. Across these settings, decoder geometry, activation statistics, co-activation structure, and direct-logit footprint predict steering modularity better than frequency-only and activation-magnitude baselines. The signal is strongest in GPT-2-small, Pythia-70M, and Llama-3.1-8B, where it survives residualization against magnitude-related confounds, and weaker in Gemma-2-2B. Held-out screening shows that ranking unseen features by predicted cleanliness can select features that steer more cleanly on fresh contexts, but the successful axis varies by setting: GPT-2 improves most cleanly, Pythia improves mainly on stability, Llama mainly on collateral, and Gemma only partially. A controlled Llama Scope width comparison shows that the predictive signal persists under a 32K-to-128K dictionary-width change, although the screening payoff becomes less stable. Overall, SAE steering side effects are predictable in advance, but the useful predictor signature and transferred modularity axis are model- and dictionary-setting dependent.
Authors: Wanqiao Xu, Yifan Zhu, Benjamin Van Roy
Abstract: A growing body of work points to the great promise of AI systems that can continually expand their capabilities as they operate in an open-ended environment. But yet there is no coherent definition of open-endedness or theory about how an agent ought to explore an open-ended environment. We introduce an information-theoretic definition based on a new concept -- the ${\textit bit-equivalent}$ -- which quantifies the information required to attain each level of expected reward. We consider an environment to be open-ended if an agent can attain linear growth in the bit-equivalent. We establish that classical bandit environments are not open-ended and formulate a bandit environment that is. We also introduce an algorithm that achieves open-ended learning in this environment.
Authors: Gianluca Scarpellini, Ron Shprints, Peter Holderrieth, Juno Nam, Pranav Murugan, Rafael G\'omez-Bombarelli, Tommi Jaakola, Maruan Al-Shedivat, Nicholas Matthew Boffi, Avishek Joey Bose
Abstract: All-atom generative modeling of 3D biomolecular complexes has emerged as the dominant paradigm for predicting the structure of proteins and protein-ligand systems. Generating structures at the atomic level of fidelity, however, typically requires expensive iterative diffusion rollouts, making both conventional deployment and inference-time search techniques computationally costly. In this paper, we introduce the Denoiser Cofolding All-Atom Flowmap (DeCAF) framework for distilling state-of-the-art all-atom cofolding models into all-atom flow maps that produce high-quality samples in only a few inference steps. We build DeCAF on a denoiser-based formulation of flow maps with endpoint losses that naturally support SE(3) rigid alignment, which we show is critical for training accurate models. We further derive a simple change of variables that lets DeCAF operate in the {\sigma}-space noise schedule of EDM-style architectures, enabling direct distillation from pretrained cofolding diffusion models. Equipped with DeCAF's flowmap lookahead, we introduce a purpose-built inference-time framework that improves sampling through reward-guided search. Empirically, DeCAF-Boltz statistically improves over Boltz-1x in both accuracy (RMSD) and physical validity scores of protein-ligand poses at strict NFE budgets on the challenging Runs N' Poses, while also showing a more optimal Pareto frontier across all inference compute budgets on PoseBusters. Distilling the state-of-the-art Pearl cofolding model, DeCAF-Pearl outperforms diffusion-based cofolding models and matches its teacher on success rate while using 5x fewer NFEs. We release our code at https://github.com/genesistherapeutics/decaf.
Authors: Leihan Zhang, Wecheng Ye, Xianlong Ma, Haochuan Liu, Yang Li, Qianyu Zhang, Jinliang Chen, Qiang Yan
Abstract: As artificial intelligence (AI) systems are increasingly deployed across socially consequential domains, reports of AI-related harms and failures have grown in frequency and diversity. Although existing governance frameworks articulate high-level principles for responsible AI, large-scale empirical resources for tracking and analyzing real-world AI risk incidents remain limited. Existing incident collections are often manually curated, relatively small in scale, and insufficient for continuous, data-driven monitoring and downstream computational analysis. To address this need, we present RiskNet, a large-scale dataset of AI risk incidents constructed from large-scale multilingual news sources. RiskNet applies a structured pipeline for AI risk news identification, event-level report screening, incident alignment, and multi-dimensional incident classification. The resulting resource organizes dispersed news reports into incident-centered records and provides benchmark datasets for event classification, incident alignment, and incident-level risk labeling. In its current release, RiskNet covers hundreds of millions of source records and yields a large-scale collection of AI risk-related reports, including aligned incident clusters and annotated benchmark subsets. The dataset is also accessible through an online platform for browsing and exploration. We describe the data sources, processing workflow, taxonomy design, and technical validation of the resource. RiskNet is intended to support downstream research on AI safety, governance, risk analysis, and benchmarking, as well as longitudinal and cross-source analyses of AI-related harms. By providing a structured and reusable empirical resource, RiskNet helps bridge the gap between high-level governance principles and the documented realities of AI risk incidents.
Authors: Priyansh Bhatnagar, Ashkan Moradifirouzabadi, Se-Hyun Yang, SeungJae Lee, Jungwook Choi, Mingu Kang
Abstract: Low-rank projection has emerged as a promising approach for compressing the KV cache by exploiting hidden-dimension redundancy. However, prior methods rely on fixed or heuristic rank selection and struggle to achieve aggressive compression with minimal accuracy degradation. We propose STAR-KV, an adaptive low-rank KV cache compression framework with fine-grained rank control. STAR-KV encompasses 1) a differentiable thresholding mechanism that enables optimal rank selection at both attention-head and block levels, 2) a hybrid decomposition strategy that applies different low-rank factorizations according to the sensitivity of key and value projections, and 3) a low-rank-aware mixed precision quantization that leverages data statistics for near lossless low-bit quantization. Evaluated across multiple LLMs and benchmarks, STAR-KV achieves up to 75% KV cache compression and up to 20x overall KV cache reduction when combined with quantization. Enabled by custom Triton-based GPU kernels, STAR-KV delivers up to 6.9x speedup for the attention module and 3.1x end-to-end generation throughput. Our code is publicly available at: https://github.com/PriyanshBhatnagar/STAR-KV.
Authors: Pierfrancesco Beneventano, Mahmoud Abdelmoneum, Tomaso Poggio
Abstract: Muon replaces a matrix gradient $G=U\Sigma V^\top$ by its polar factor $UV^\top$. This keeps the singular directions selected by the gradient, but makes the update spectrum flat. We study the optimization bias created by this operation. Under explicit alignment assumptions, we prove that the polar update is the one-step entropy-maximizing choice among bounded updates that use the gradient singular directions and do not adapt to the current weight spectrum. In an underdetermined regression model, we derive exact singular-value dynamics for continuous-time Muon and identify a measurement-dependent condition under which the normalized spectrum moves toward equal nonzero singular values. This geometry also rules out a common low-rank interpretation: at fixed Frobenius norm, Muon's distinguished state has a flat spectrum, whereas nuclear-norm minimization favors spectral concentration. Controlled matrix-sensing experiments separate the effect from simple gradient rescaling, show that norm-matched gradient descent does not reproduce Muon, and recover the predicted flattening trend across broad ablations. In small NanoGPT pretraining, Muon preserves stable rank, has a broad learning-rate plateau, and improves validation loss relative to AdamW; in a matched small-ViT control, the ranking reverses. The resulting picture is regime-dependent: Muon is not universally superior, but its flat-spectrum bias can help when many spectral directions need to remain active.
Authors: Valentina Kuskova, Dmitry Zaytsev, Michael Coppedge
Abstract: When a neural time-series model reports that one variable modulates another's effect on a target, is the discovered interaction a property of the data or an artifact of model flexibility? We argue that this is fundamentally a question of identifiability, governed by the geometry of the observed input support rather than by the specific neural architecture. We study the problem in a multiplicative-gating extension of neural additive vector autoregression (GNAVAR), in which source contributions are modulated by other lagged variables. We show that representational capacity is not identifiability: dependent inputs induce leakage between edge-specific interaction terms, and low-dimensional support permits distinct interaction decompositions that agree on the observed data while differing elsewhere. We then prove a population identifiability theorem for normalized minimal GNAVAR decompositions under explicit support conditions, including settings with shared modulators. The theory yields a simple practitioner-facing diagnostic: the effective rank of the joint lag-block covariance predicts, before fitting, whether interaction recovery is feasible for a given candidate set. When the candidate set is unknown, a two-seed stability check provides a practical operational test. The same support condition organizes empirical outcomes into the three states predicted by the theory. Our results show that interaction recoverability depends on support geometry, that effective rank provides a practical pre-fit diagnostic, and that instability across independent fits is a characteristic signature of non-identifiable interaction discovery. The identifiability phenomenon, the support condition, and the instability signature are model-agnostic; GNAVAR is the vehicle that makes them provable.
Authors: Linfeng Cao, Ming Shi, Ness B. Shroff
Abstract: Personalized decision-making in multi-objective bandits requires learning user-specific trade-offs among competing objectives. Since arm utility depends on both unknown rewards and unknown preferences, existing methods infer preferences only from utility feedback, entangling preference learning with reward exploration. In practice, however, users often reveal their priorities through proactive conversational queries (e.g., "cheap and clean hotel"), yet this structured signal is not leveraged. We formalize a proactive query-based framework in which user queries provide structured preference signals. Modeling these signals via a Plackett-Luce subset choice model, we show that query-only learning is insufficient due to a fundamental shift-invariance barrier. To resolve this, we introduce MO-PQUCB, a hybrid algorithm that integrates query-based preference anchoring with bandit feedback through shift-invariant regularization and dual-exploration UCB. We prove that proactive queries accelerate preference estimation and yield improved regret scaling over prior preference-aware MO-MAB methods. Under corrupted queries, we further characterize statistical limits and design a robust estimator achieving near-optimal performance when the corruption is sparse. Experiments validate both theoretical and practical gains.
Authors: Yang Zhou, Ranajoy Sadhukhan, Zhaofeng Sun, Zhuoming Chen, Souvik Kundu, Saket Dingliwal, Sai Muralidhar Jayanthi, Aram Galstyan, Haizhong Zheng, Beidi Chen
Abstract: Despite being powerful, reinforcement learning with verifiable rewards (RLVR) induces extremely long COT, making it computationally expensive. Since RLVR per-step cost is dominated by long-context rollout generation, sparse attention offers a promising way to accelerate dense rollout. However, sparse rollouts require a delicate stability-efficiency tradeoff: overly aggressive sparsity causes collapse, while overly lenient sparsity gives insufficient speedup. In this work, we study this tradeoff through sparse-to-dense actor-policy mismatch. We first observe that sparse rollout collapse is not driven by uniform degradation across tokens: most sparse tokens align perfectly with dense even under aggressive sparsity. Motivated by this, we hypothesize that sparse rollout training remains stable if the lower tail of per-token actor-policy mismatch stays above a critical threshold throughout the trajectory. We introduce a dynamic sparsity schedule that keeps this tail statistic constant during generation and validate our hypothesis. Across Qwen3 thinking-family models, keeping the tail mismatch statistic near a consistent threshold generally enables stable training. We then use a cost model to find the sparsity schedule for maximum speedup under this mismatch threshold, achieving 2.2x, 2.4x, and 2.0x rollout speedups when training Qwen3-1.7B, Qwen3-4B, and Qwen3-8B. Empirically, we show the thresholds generalize to a larger model (Qwen3-14B) and another RL domain (coding). Finally, our analysis naturally motivates DistillSparse: lightweight LoRA-based distillation on sparse rollout lets more aggressive sparsity reach the same sparse-to-dense mismatch threshold, yielding higher speedup.
Authors: Anthony Bazhenov, Jean Erik Delanois, Giri P. Krishnan
Abstract: One of the critical limitations of artificial neural networks is their lack of ability to continually learn: training on new tasks often leads to interference and forgetting of the previous ones. While several algorithms have been proposed to protect old memories from interference, they are typically applied during or immediately after each new episode of training. In contrast, humans and animals can learn continuously, acquiring multiple new memories during active learning before consolidating all of them into long-term storage. Here we show that multiple new tasks can be trained sequentially before an unsupervised sleep-like replay phase is applied to partially restore performance across all previously learned tasks. Our study further suggests that task-specific information remains resilient to new training but decays gradually as network is trained on new tasks. These findings point to novel principles for developing a broad range of continual learning AI solutions.
Authors: Nazreen Shah, Govinda Arya, Bharath B. N., Ranjitha Prasad
Abstract: In many real-world settings, data streams are nonstationary and arrive sequentially, requiring learning systems to adapt continuously without retraining from scratch. Continual learning (CL) addresses this challenge by incorporating new tasks while mitigating catastrophic forgetting, where learning new information degrades performance on previously acquired knowledge. We introduce a control-theoretic perspective on CL that explicitly regulates the evolution of forgetting, framing adaptation as a controlled process subject to long-term stability constraints. We focus on replay-based CL, where a finite memory buffer stores representative samples from prior tasks. We propose COntinual Learning with Drift-Plus-Penalty (COLD), a continual learning framework based on the Drift-Plus-Penalty (DPP) principle from stochastic optimization. To facilitate analysis, we also consider an oracle variant, COLD-ORACLE, as a reference benchmark. At each task, both methods minimize the current task loss while maintaining a virtual queue that tracks deviations from long-term stability on previously learned tasks, capturing the stability-plasticity trade-off as a regulated dynamical process. We establish stability and convergence guarantees that characterize this trade-off through a tunable control parameter. Experiments on standard benchmarks demonstrate that COLD consistently outperforms a broad range of state-of-the-art CL methods while providing competitive and controllable forgetting behavior through explicit regulation of stability and plasticity.
Authors: Tuc Nguyen, Thai Le
Abstract: Activation steering provides a lightweight inference-time mechanism for controlling large language models (LLMs) by modifying their internal activation vectors toward desired behaviors. Most existing methods compute a fixed steering direction in the original activation space, typically from pairs of contrastive examples using mean differences, linear probes, or arbitrary separability criteria. While effective to a certain extent, these methods treat behavioral control as a global, linear, additive offset: the same direction is applied across inputs, and behaviors are linearly separable. This can be restrictive when behavioral features vary nonlinearly across the activation space or lie on curved and anisotropic manifolds, where the optimal intervention may be input-dependent. To address this limitation, we propose INNSteer, a nonlinear activation steering framework based on invertible latent transformations. Rather than searching for a better steering vector in the original representation space, INNSteer learns a lightweight invertible neural network $\phi$ that maps an LLM's activations into a latent space where behavioral classes are more amenable to linear control. At inference time, activations are mapped through $\phi$, steered in the latent space, and mapped back through the exact inverse transformation $\phi^{-1}$. This makes a simple latent-space translation become a nonlinear, input-dependent intervention in the original activation space. Across experiment settings on multiple LLM families, scales, behavioral traits, and safety benchmarks, INNSteer consistently improves model control over linear, transport-based, and nonlinear steering baselines while largely preserving generation fluency.
Authors: Cuong Dang, Jiahao Zhang, Hieu Ta Quang, Dung Le, Lu Cheng, Suhang Wang
Abstract: While confidence calibration is essential for trustworthy decision-making in safety-critical applications, the robustness of calibrated GNNs to adversarial structural perturbations remains largely unexplored. However, studying calibration attacks on graphs presents unique technical challenges: (1) the discrete nature of graph structures complicates gradient-based optimization, (2) existing underconfidence objectives fail to drive predictions toward uniform distributions, and (3) GNNs are highly sensitive to edge perturbations, often causing unintended label changes that violate attack constraints. To address these challenges, we propose a \textbf{Unified Graph Calibration Attack (UGCA)} framework designed for \textbf{worst-case (white-box) analysis} of GNN calibration robustness. UGCA introduces a KL-divergence loss to encourage uniform predictive distributions, a reranking mechanism to reduce label flipping, a hybrid loss to recover labels when violations occur, and beam search to explore a broader adversarial search space. We further provide theoretical insights linking model generalization, dataset complexity, and calibration vulnerability, showing that models with higher accuracy or trained on datasets with more classes are more susceptible under this threat model. Extensive experiments demonstrate that UGCA substantially increases Expected Calibration Error while preserving classification accuracy. Our code is publicly available at https://github.com/CaptainCuong/Graph-Calibration-Attack.git.
URLs: https://github.com/CaptainCuong/Graph-Calibration-Attack.git.
Authors: Xin Li, Chenhan Xiao, Jonathan Cohen, Aviad Elyashar, Yang Weng, Rami Puzis
Abstract: False data injection attacks (FDIAs) introducing small measurement perturbations can still cause large deviations in power system state estimation when the injected signals align with the pseudo-null space of the system model. Existing model- and data-driven detectors may fail to identify such low-magnitude but high-impact attacks because residual tests ignore changes hidden in the pseudo-null space, while subspace learning methods capture correlation patterns without enforcing physical consistency. This paper proposes Physically Consistent Null Space Alignment (PCNSA), a framework that detects stealthy FDIAs by preserving, through preprocessing, the geometric correspondence between the physical null space and the measurement-derived pseudo-null space. The key point is a Pseudo-null Space Conserved data Preprocessing (PSCP) step that re-expresses measurements in the physical coordinate frame before subspace extraction. We prove that PSCP preserves the separation between row space and its orthogonal complement, a property that conventional per-feature standardization violates. This keeps the singular value decomposition (SVD)-derived pseudo-null subspace aligned with the physical residual space without explicit knowledge of H. Experiments on IEEE 14-, 30-, 57-, and 118-bus systems confirm this principle in practice: stealthy attacks that evade XTM, LSTM, AE and Isolation Forest baselines appear as clear deviations in the aligned subspace, yielding higher F1-score and detection accuracy while remaining robust under partial observability and realistic PMU noise.
Authors: Julian Szereszewski, Facundo Fainstein, Leandro E. Fernandez, Gabriel B. Mindlin
Abstract: Inferring the forces that drive a dynamical system from partial observations is a fundamental challenge across physics, particularly when distinct underlying mechanisms produce similar observable dynamics. Here we show that the effective muscular forcing underlying avian respiratory dynamics can be reconstructed from measurements of air-sac pressure alone. Using an interpretable learning framework based on Kolmogorov-Arnold networks, we infer the governing equations of the system directly from data and uncover a nontrivial structure in the underlying forcing that is not apparent from the pressure signal, which instead suggests a relaxation-like oscillation. The reconstructed dynamics predict a two-phase activation pattern within each respiratory cycle, which we independently validate through electromyographic recordings of expiratory muscles. These results demonstrate that data-driven reconstruction of dynamical laws can reveal hidden physical structure and provide access to unobserved driving variables, establishing a general route to infer latent forces in partially observed dynamical systems.
Authors: Kewei Xu, Junbo Qi, Yanyan Zou, Pengfei Zhang, Xingzhi Yao, Shengjie Li
Abstract: Reinforcement learning (RL) presents a promising avenue for enhancing generative recommendation beyond supervised imitation, leveraging reward signals to guide policy improvement. However, its efficacy is critically contingent on the trustworthiness of the reward model for the samples it evaluates. In practice, production rankers, the widely adopted reward models, are trained on exposure-biased logs, leading to sample-dependent inaccuracies that violate this assumption. Our stratified analysis uncovers a consistent pattern: reward guidance is most beneficial when the policy exhibits uncertainty and the ranker can effectively discriminate the ground-truth item from rollout negatives. On other samples, the reward signal is either negligible or detrimental, highlighting the risk of uniform RL application. To address such an issue, we introduce AdaGRPO, a novel framework that treats reward-guided optimization as selective admission rather than uniform pressure. Training is anchored in supervised negative log-likelihood, while the GRPO objective is gated by a binary, per-sample clip determined by two rollout diagnostics: policy-side difficulty and reward discriminability. Instances failing either diagnostic default to pure supervision, ensuring stability and mitigating the amplification of noisy gradients. We validate AdaGRPO on a large-scale e-commerce dataset. At the best intermediate checkpoint, it elevates HR@10 from 11.01% to 12.18% while constraining hallucination below 0.22%, and maintains robustness at the final checkpoint (HR@10 11.63%, hallucination 0.27%), outperforming fixed NLL--GRPO mixtures across the retrieval--validity frontier. In production A/B tests, AdaGRPO achieves statistically significant gains in click-through rate and dwell time, confirming its practical utility.
Authors: Suraj Ranganath, Anish Raghavendra
Abstract: Enterprise property graphs vary widely in schema structure, internal terminology, domain assumptions, governance constraints, and user interaction patterns. A deployment-relevant Text2Cypher benchmark therefore reflects the questions users and agents actually ask of that graph. Creating such a benchmark is difficult because schemas and values are unique, and graph structure changes over time. Each NL-query pair must also be executable, use real graph entities, preserve diversity, and remain balanced across query types and difficulty levels. We present PIPE-Cypher, a local benchmark-generation pipeline that turns a live property graph and optional seed queries from customer questions, analyst logs, or agent tool calls into balanced NL-to-Cypher benchmarks. PIPE-Cypher combines schema profiling, reverse-query grounding, constrained generation, deterministic Cypher governance, execution validation, redaction, diversity controls, and a calibrated local LLM judge. Using local Qwen3.5-9B generation and judging, PIPE-Cypher exports 3,000 accepted FinBench/SNB examples, completes three audited ablation suites, calibrates judge behavior with human labels, and evaluates 11 local downstream models. The resulting benchmark is deliberately discriminative: zero-shot transfer is weak, while a few-shot control shows that schema-specific example banks can help compatible model families. Together, PIPE-Cypher makes Text2Cypher benchmarking a repeatable process that evolves with the graph, its users, and its target workloads.
Authors: Shufeng Kong, Tao Yu, Yuanyuan Wei, Caihua Liu, Junwen Bai, Yingheng Wang, Marc Grimson, Daniel Fink, Carla P. Gomes
Abstract: Joint Species Distribution Modeling (JSDM) is a key enabler for biodiversity monitoring and conservation planning. However, accurate JSDM faces two coupled challenges: environmental drivers and species distributions are inherently spatio-temporal, while species co-occurrence patterns exhibit complex non-linear community structure and severe long-tail imbalance driven by rare species. Existing approaches often address these factors in isolation, learning from static covariates or neglecting the historical trajectories of dynamic community structure. To overcome these limitations, we propose STELLAR (Spatio-Temporal Environmental Learning with Latent Alignment and Refinement), a novel framework that learns a shared latent space where dynamic habitat context and community structure are optimized jointly. Our approach integrates three complementary components: (1) a Graph-Temporal Encoder that employs graph attention and recurrent units to aggregate spatial neighborhood effects and capture the co-evolving historical dynamics of environmental context and community structure; (2) a Context-Anchored Latent Alignment mechanism that structures the latent space using a label-activated mixture prior and supervised contrastive learning, actively clustering species based on shared environmental preferences; and (3) an Imbalance-Aware Decoupled Decoding module that utilizes Asymmetric Loss to focus learning on hard, rare species samples, preventing mode collapse in the long tail. Experiments on the large-scale eBird dataset, curated with domain experts, demonstrate that our framework significantly outperforms state-of-the-art baselines, particularly in predicting rare species and revealing interpretable species interactions.
Authors: Xiaoli Yu, Jiamiao Liu
Abstract: Selective predictors answer on confident inputs and abstain elsewhere; deploying one safely needs a single finite-sample certificate that simultaneously upper-bounds the selected risk, lower-bounds the acceptance probability $\pacc$ above a floor $\pmin$, and lower-bounds the deployment utility. This certificate must be valid under adaptive threshold selection from a finite grid of $m$ pairs on $\ncert$ samples. We give such a certificate for bounded, possibly non-monotone losses by treating the selected risk directly as a ratio rather than through a Hoeffding-style range bound. The construction couples three confidence bounds: a variance-adaptive empirical-Bernstein bound on the ratio risk, a Clopper--Pearson bound on acceptance, and a two-sided closeness bound on utility. Together they lower-bound the certified policy's utility absolutely and to within $2\gammau$ of the best over the \emph{certified set}, both non-vacuous whenever feasible; a regime-scoped third leg matches an external oracle, informative only where the risk margin $\gammar < \alpha$ and vacuous at the headline operating points. Relative to the range-only Hoeffding-ratio construction this sharpens the acceptance-floor dependence from $1/\pmin$ to $1/\sqrt{\pmin}$, and a closed-form corollary identifies a per-pair regime in which our risk bound dominates a Hoeffding conformal risk control (Hoeffding--CRC) selective bound. Empirically, on ImageNet (three ResNets) and COCO val 2017 panoptic, the certificate opens a $+22$ pp certified-acceptance frontier over Hoeffding--CRC and is ${\approx}10{\times}$ tighter than a non-vacuous matched-valid baseline; these gains are regime-scoped, not universal, and absent on ADE20K. The certifier runs in $O(\ncert m)$ time.
Authors: Lixuan Jin, Bingxuan Lan, Xinyi Bao, Xiangyuan Xie, Chunjie Zhang, Zheng Chen, Tianshuo Liu, Ruijie Tian, Jinyu Ru, Gang Wang, Lei Yuan, Yang Yu
Abstract: Unmanned aerial vehicles (UAVs) are increasingly being deployed in logistics, service robotics, and other real-world applications, creating a growing demand for autonomous payload acquisition and delivery. Existing approaches typically assume pre-attached payloads or rely on specialized grippers, leaving versatile end-to-end aerial delivery largely unresolved, where different payloads induce highly variable flight dynamics, requiring a single policy to adapt online without manual calibration or explicit system identification. To this end, we study \textbf{A}utonomous \textbf{A}erial Manipulation via \textbf{Co}ntextual \textbf{Co}ntrastive Meta Reinforcement Learning (\textbf{\textit{Aco2}}), a fully autonomous aerial delivery setting in which a quadrotor equipped with a lightweight hook continuously picks up, transports, and delivers diverse handle-equipped objects between randomized locations, all without human intervention. First, we design a contextual observation encoder that infers a compact latent context from recent interaction history, enabling the policy to adapt online to payload-dependent dynamics. To further improve the quality of this context, we introduce a contrastive objective that structures the context embedding around task-relevant variations, improving generalization across diverse payloads without requiring explicit system identification. Trained entirely in simulation with extensive domain randomization, \textit{Aco2} can be directly deployed on a physical quadrotor without real-world fine-tuning.
Authors: Jannik L\"ubberstedt, Krischan Braitsch, Jacqueline Lammert, Christof Winter, Florian Gabriel, Tristan Lemke, Christopher Zirn, Markus Graf, Friedrich Puttkammer, Hartmut H\"antze, Johannes Moll, Anirudh Narayanan, Andrei Zhukov, Fabian Drexel, Zeineb Ben Chaaben, Sebastian Ziegelmayer, Su Hwan Kim, Marion H\"ogner, Jan Kirschke, Florian Bassermann, Marcus Makowski, Christian Wachinger, Lisa Adams, Keno Bressem
Abstract: Routine laboratory panels drawn during cancer treatment constitute longitudinal physiological recordings of organ function, yet their temporal structure is discarded by single-timepoint prognostic tools. A transformer trained on 2,777,595 laboratory measurements from 3,905 patients with multiple myeloma or ovarian cancer predicted the two-year onset of 162 treatment-associated complications, including therapy-related myelodysplastic syndromes, spanning eight clinical categories, achieving 1.5- to 6.1-fold enrichment above prevalence at the group level. It matched or outperformed non-sequential baselines across grouped endpoints (AUROC gains up to +0.11), demonstrating that longitudinal laboratory trajectories capture evolving complication-specific physiology inaccessible from isolated measurements. Predictions generalised across both cancers, divergence concentrating in disease-specific complications, and biomarker masking recovered signatures consistent with established pathophysiology. External validation on MIMIC-IV and MMRF CoMMpass confirmed transferability across independent healthcare systems (AUROC up to 0.85). Routine oncological laboratory data encode organ deterioration weeks to months before clinical onset, enabling complication-specific surveillance without additional testing infrastructure.
Authors: Yunchen Li, Shaohui Lin, Zhou Yu
Abstract: This paper provides a theoretical account of memorization in stochastic interpolation models. By leveraging closed-form expressions for the optimal velocity field and the associated score function, we show that, in the continuous-time oracle setting, both deterministic and stochastic generation processes recover training samples. Under Euler discretization, generated samples remain centered around training samples, with deviations controlled by the step size. We further analyze generation in the presence of estimation errors and show that accumulated estimation errors control the endpoint deviation from the training set. These results imply that the generated sample admits a representation as a training sample perturbed by three controlled terms: a discretization-induced bound, an estimation-error-induced bound, and stochastic Gaussian noise. Based on this characterization, we provide theoretical definitions of overfitting and underfitting in generative models. Synthetic simulations support our theoretical findings.
Authors: Dandan Chen, Yaqiang Wang
Abstract: While global data-driven models excel at predicting continuous atmospheric variables, three-dimensional hydrometeor forecasting remains challenging due to the zero-inflated, long-tailed distributions of these variables. Standard deep learning optimization often yields overly smooth forecasts, attenuating extreme events and spatial textures. We propose PredHydro-Net, a physics-guided dual-decoding framework that mitigates this smoothing. To resolve multi-variable optimization conflicts, it employs a decoupled architecture where macroscopic thermodynamic and dynamic fields unidirectionally modulate hydrometeor generation. By integrating wavelet-based frequency decoupling, spectral amplitude matching, and adversarial training, the model achieves a favorable trade-off between quantitative accuracy and spatial fidelity. In a 72-h global evaluation, PredHydro-Net outperforms both spatiotemporal deep learning baselines (Earthformer and PredRNNv2) and the operational Global Forecast System (GFS) in extreme-event detection and spectral representation. Furthermore, it demonstrates strong climatological consistency with Global Precipitation Measurement (GPM) satellite retrievals. The model reasonably reproduces the three-dimensional cloud structures in extreme weather events, such as Hurricane Ian. Feature attribution confirms its dependence on physical precursors such as relative humidity and wind convergence, offering a robust, physics-informed approach to long-tailed atmospheric prediction.
Authors: Toshiaki Koike-Akino, Jing Liu, Ye Wang
Abstract: Tensor networks provide efficient representations for compressing large neural networks. By carefully designing shapes and topologies, they can significantly reduce memory and computational costs. However, identifying implicit low-rank structures in large foundation models remains challenging due to their enormous scale and un-structured weight distributions. We propose an adaptive tensorization method that discovers inherent low-rank structure in a target tensor by index ordering. Experiments on weight and KV-cache compression demonstrate improved reconstruction quality compared to baselines.
Authors: Daniel Chen, Qicong Hu, Yang Xiao, Ting Dang, Hong Jia
Abstract: Speech emotion recognition (SER) is commonly formulated as utterance-level classification, although conversational emotion depends on a speaker's usual vocal range and the emotional context established by previous utterances. Speech-language models provide strong pretrained acoustic and semantic representations, and can adapts them to SER labels via finetune, but this mechanism still missing per-dialogue state. We study whether test-time neural memory can supply this missing context while leaving the large audio language models (LALMs) backbone intact. Building on Titans, we introduce a plug-and-play Memory-as-a-Layer (MAL) adapter that writes dialogue history into a small neural memory and reads it back as an audio-token-aligned residual update, avoiding changes to the host model's token positions. Across different audio LLMs and emotion recognition datasets evaluations, our design improves SER performs across different evaluation metrics, supporting test-time memory as a residual contextual mechanism for conversational SER.
Authors: Chenhan Jin, Shengze Xu, Qingsong Wang, Fan Jia, Dingshuo Chen, Tieyong Zeng
Abstract: Data pruning (DP), as an oft-stated strategy to alleviate heavy training burdens, reduces the volume of training samples according to a well-defined pruning method while striving for near-lossless performance. However, existing approaches, which commonly select highly informative samples, can lead to biased gradient estimation compared to full-dataset training. Furthermore, the analysis of this bias and its impact on final performance remains ambiguous. To address these challenges, we propose OrderDP, a plug-and-play framework that aims to obtain stable, unbiased, and near-lossless training acceleration with theoretical guarantees. Specifically, OrderDP first randomly selects a subset and then chooses the top-$q$ samples, where unbiasedness is established with respect to a surrogate loss. This ensures that OrderDP conducts unbiased training in terms of the surrogate objective. We further establish convergence and generalization analyses, elucidating how OrderDP affects optimal performance and enables well-controlled acceleration while ensuring guaranteed final performance. Empirically, we evaluate OrderDP against comprehensive baselines on CIFAR-10, CIFAR-100, and ImageNet-1K, demonstrating competitive accuracy, stable convergence, and exact control -- all with a simpler design and faster runtime, while reducing training cost by over 40%. Delivering both strong performance and computational efficiency, our method serves as a robust and easily adaptable tool for data-efficient learning. The code is publicly available at https://github.com/shengze-xu/OrderDP.
Authors: Xu Zhang, Peang Wang, Wei Wang
Abstract: Recently, large time series models (LTSMs) have gained increasing attention due to their similarities to large language models, including flexible context length, scalability, and task generality, outperforming advanced task-specific models. However, prior studies indicate that pre-trained LTSMs may exhibit a poorly conditioned non-convex loss landscape, leading to limited trainability. As a result, direct fine-tuning tends to cause overfitting and suboptimal performance, sometimes even worse than training from scratch, substantially diminishing the benefits of pre-training. To overcome this limitation, we propose Smoothed Full Fine-tuning (SFF), a novel fine-tuning technology. Specifically, we construct an auxiliary LTSM via random initialization to obtain a smoother loss landscape, and then linearly interpolate its weights with those of the pre-trained model to smooth the original landscape. This process improves trainability while preserving pre-trained knowledge, thereby enabling more effective downstream fine-tuning. From an optimization perspective, SFF perturbs sharp minima without significantly harming flat regions, facilitating escape from poor local basins toward smoother and more generalizable solutions. Extensive experiments on benchmark datasets demonstrate consistent improvements across eight representative LTSMs, including Timer, TimesFM, MOMENT, UniTS, MOIRAI, Chronos, TTMs, and Sundial, on diverse downstream tasks. The code is available at the link: https://github.com/Meteor-Stars/SFF.
Authors: Jasmeet Singh Bindra, Siddharth Panwar, Shubhajit Roy Chowdhury
Abstract: Deep learning on physiological time series is interpreted through domain-specific features -- oscillatory rhythms in EEG, morphological complexes in ECG -- yet these signals sit atop a broadband aperiodic 1/f-like envelope that covaries with arousal, age, and pathology. We introduce a spectral audit framework combining aperiodic/periodic decomposition, phase-preserving Fourier interventions, sham controls, and simulation validation. Aperiodic reliance was task-dependent and architecture-general: across six neural architectures, flattening drops exceeded 0.42 balanced-accuracy points for sleep-wake classification, reached 0.07-0.13 for clinical abnormality detection, and remained minimal for motor imagery. Six of seven EEG foundation models showed FDR-significant aperiodic reliance on clinical EEG; age/sex and recording-era controls reduced but did not eliminate the effect. Applying the audit to PTB-XL ECG revealed neural drops of 0.32--0.36 persisting after demographic matching, confirming this confound class extends beyond EEG. Aperiodic controls should become standard for interpretable physiological time-series deep learning.
Authors: Geoffrey Kasenbacher, Daniel Ruepp, Gerrit A. Ecke
Abstract: Sparse coding provides a principled framework for signal representation by expressing an input as a linear combination of only a small number of basis functions. The Locally Competitive Algorithm (LCA) is particularly attractive in the context of neuromorphic computing because its dynamics, leaky integration, thresholding, and lateral inhibition map naturally to neuromorphic hardware. While prior work has studied non-convolutional LCA on Loihi 2, the convolutional setting is of particular interest because it introduces spatial structure, weight sharing, overlapping receptive fields, and scaling behavior that are more representative of practical sparse inference workloads. In this work, we present a Loihi 2 implementation of convolutional sparse coding via the LCA and evaluate it against a conventional GPU baseline on the same inference problems. The implementation follows a one-layer recurrent LCA formulation and extends it to convolutional feature maps with local inhibitory kernels derived from pairwise filter interactions. To the best of our knowledge, this is the first implementation and benchmark of convolutional LCA on Loihi 2. Our goal is not only to demonstrate feasibility, but also to clarify in which operating regimes convolutional sparse inference becomes attractive on neuromorphic hardware. The resulting study positions convolutional LCA as a useful benchmark for structured sparse inference on emerging neuromorphic systems.
Authors: Shun Ryuzaki, Hideo Mukai
Abstract: Efficient quantum error correction is essential for the advancement of quantum computing. We propose a quantum neural network with a global structure that reduces the number of unitary matrices required in quantum circuits. This approach resulted in a 97\% reduction in training time and up to a 25\% improvement in the training completion rate, ultimately achieving a 100\% success rate in training while surpassing the error correction performance reported in previous studies. In addition, we demonstrated the enhanced robustness of quantum error correction against internal network noise. Moreover, the fidelity of quantum error correction under internal network noise increased by up to 15\% due to the reduced computational load.
Authors: Jasmeet Singh Bindra, Siddharth Panwar, Shubhajit Roy Chowdhury
Abstract: Deep learning EEG denoising architectures have scaled from tens of thousands to tens of millions of parameters, yet no prior study has isolated model capacity as the experimental variable or tested whether reconstruction metrics predict downstream neural-signal utility. We address both gaps by fixing architecture, loss, data split, and training recipe while sweeping only channel width from 1.05K to 40.26K parameters in a minimal depthwise-separable convolutional U-Net. Models were evaluated on the EEGDenoiseNet benchmark, cross-dataset BCI transfer tests, controlled baseline retraining, and downstream motor-imagery classification with five decoder families across all nine BCI Competition IV-2a subjects. Reconstruction performance saturated by 3-6.5K parameters, with post-elbow gains of at most 0.015 correlation coefficient per log10-parameter unit. An 8.46M-parameter baseline retrained under the same pipeline matched the 40.26K compact variant on EOG--a 200x parameter gap yielding no advantage--while a Patch-Transformer control reproduced the same diminishing-return shape. Downstream evaluation exposed a classifier-dependent metric-utility gap: reconstruction-optimized denoising significantly degraded CSP+LDA classification across all nine subjects and three artifact types (best denoised accuracy 0.547 vs. 0.612 noisy baseline; Bonferroni p=0.0488), persisting on naturally recorded trials (Delta=-0.047; BH-FDR q=0.0049). End-to-end neural decoders showed variable or neutral effects. Standard EEG denoising benchmarks are saturated far below current model capacity, and reconstruction metrics do not predict BCI utility. Ultra-compact models at 33-46 KB and 1.27-2.61M FLOPs/segment are practical for edge deployment. These findings argue for capacity-controlled evaluation, harder task-aware benchmarks, and mandatory downstream validation.
Authors: Boshu Lei, Kostas Daniilidis, Antonio Loquercio
Abstract: We present an online reinforcement learning (RL) algorithm for fine-tuning flow-matching policies in continuous-control problems. Our key insight is to view RL-based policy improvement as a transport of action densities towards regions of high reward, which naturally aligns with the transport formulation of flow matching models. Prior methods either approximate the current or optimal policy distribution or resort to distillation, which introduces biased gradients or sacrifices multimodal modeling capacity. In contrast, our approach for RL with Density Transport, which we name \emph{RLDT}, constructs a transport field from a maximum-entropy RL objective using Stein Variational Gradient Descent (SVGD). Then, it finetunes a pretrained flow matching policy to align with this field. Training with this alignment objective is nontrivial because flow-matching policies generate actions via a multi-step process, making direct gradient-based optimization challenging. To overcome this challenge and stabilize training, we approximate policy actions from intermediate denoising steps via expected-target estimation. This allows the transport-field update to propagate into the network parameters without unstable backpropagation through time. Experimental results demonstrate that RLDT outperforms competitive baselines in reward quality and convergence speed. This performance holds across diverse continuous-control tasks, encompassing both dense and sparse rewards, as well as state- and vision-based long-horizon robot manipulation. The project webpage is \href{https://rpfey.github.io/rldt/}{https://rpfey.github.io/rldt/}.
URLs: https://rpfey.github.io/rldt/, https://rpfey.github.io/rldt/
Authors: Jiahui Huang, Ao Luo, Lei Liu, Hongwei Zhao, Tengyuan Liu, Ruibo Guo, Bo Wang, Zhao Wang, Bin Li
Abstract: Global wind power capacity, especially in China, is booming, with new farms spanning diverse terrains and climates. The industry urgently needs accurate wind power foundation models to shorten commissioning and accelerate grid connection. This is because site-specific time series models (TSMs) are not well suited to data-scarce scenarios and generalize poorly, while generic large time series models (LTSMs) are mostly limited to univariate inputs and cannot fully exploit static site attributes or the dependencies between power and meteorological covariates, leading to insufficient accuracy. To fill this gap, we propose \textbf{Tyan-WP}, the first wind power foundation model for ultra-short-term probabilistic forecasting. Pretrained on a large-scale wind power dataset covering more than 126,000 U.S. sites over seven years, Tyan-WP further improves zero-shot forecasting through two domain-specific module designs: static site embedding using coordinate, terrain, and ecoregion metadata, and a power-aware meteorological fusion (PAMF) module that models interactions between historical power and meteorological covariates. Under a unified evaluation protocol, Tyan-WP surpasses eight site-specific supervised TSMs on 10 in-domain sites and outperforms eleven generic LTSMs on 127 in-domain sites, reducing MAE by 19.9%, RMSE by 16.6%, CRPS by 22.2%, and AQL by 21.7%, while raising R^2 by 16.7%. It further demonstrates strong cross-geography generalization on six real U.K. sites. These results show that the wind power foundation model can achieve accurate zero-shot forecasting without target-site training, providing a practical pathway for rapid turbine onboarding and probabilistic risk management at new wind farms.
Authors: Yang Pengju
Abstract: Prefill-decode (PD) disaggregation decouples prompt processing from token generation, but it also turns the key-value (KV) cache into a network payload. Existing PD-side KV reduction methods are mostly binary: selected tokens are transmitted at full precision and the rest are not transmitted. This paper argues that binary selection leaves a useful design space unused. SpectrumKV assigns a precision level to each token instead: attention sinks and other high-importance tokens are protected at FP16, medium-importance tokens are sent at INT8, and low-importance tokens are sent at INT4 when the model can tolerate it. The main practical complication is that INT4 tolerance is model-dependent. Qwen2.5-7B catastrophically fails under INT4 KV quantization, while Mistral-7B and Gemma-2-9B remain stable. SpectrumKV therefore runs a lightweight deployment-time probe: three aggressive NIAH trials under a 3-tier policy. Models that pass use FP16+INT8+INT4; models that fail fall back to FP16+INT8. Across Qwen2.5-7B-Instruct, Mistral-7B-Instruct-v0.3, and Gemma-2-9B-it, SpectrumKV improves quality at the same transfer budget. At a 50% normalized KV budget on WikiText-2, SpectrumKV changes perplexity by +1.97%,-0.06%, and-0.44%, respectively, compared with PDTrim's +25.85%, +22.07%, and +35.63%. On NIAH retrieval at 4096 tokens, the adaptive policy reaches 52.6% on Qwen at the aggressive b=0.3 budget versus 26.3% for PDTrim, and reaches 100% by b=0.5; Mistral and Gemma preserve retrieval under the 3-tier policy. End-to-end GPU timing of the transfer path shows 50-62% TTFT reductions at b=0.5. These results suggest that PD KV transfer should be treated as a precision-allocation problem, not only as token pruning.
Authors: Weinan Wang, Bowen Gang, Hao Deng
Abstract: In this paper, we propose a perturbation-based conformal prediction framework for uncertainty quantification in operator learning, with a focus on the 2D Navier--Stokes equations. While neural operators provide fast surrogates for expensive PDE solvers, they do not by themselves provide calibrated uncertainty for spatiotemporal field predictions. Our approach wraps a trained Fourier Neural Operator (FNO) with split conformal prediction and constructs the local uncertainty scale by comparing the predictions of two operators trained on nearly identical datasets: one on the original labels and one on labels perturbed by small Gaussian noise. We consider this procedure in the data-scarce regime, where the total label budget is fixed and methods that require a separate uncertainty network must divide training data between multiple models. On the 2D Navier--Stokes benchmark, the perturbation-based method produces substantially narrower conformal bands than existing methods under matched total data budgets while maintaining the target simultaneous coverage. These results suggest that perturbation sensitivity is a practical and sample-efficient uncertainty proxy for conformalized neural operators.
Authors: Zhiwei Li, Yong Hu
Abstract: Agent skills extend language-model agents with task-specific procedures, scripts, and references, but the tasks and environments they target continually change. Existing methods improve skills in bounded runs and retain only the final artifact, discarding the decision history that later agents need to interpret prior revisions, evaluations, and rejected alternatives. We introduce SkillHone, a harness for continual agent skill evolution grounded in persistent decision history. SkillHone pairs skill revisions with evaluation-side evidence that supplies practice feedback, recording structured histories of diagnoses, revisions, evidence, and outcomes. Role-separated subagents run candidate skills on practice probes with redacted reporting and propose revisions informed by prior decisions, enabling cross-session refinement without rediscovering past rationale. We evaluate SkillHone on deep-research benchmarks in a raw open-web setting, where agents are not given an integrated search stack and must organize retrieval through portable skills. We compare against a deep-research agent backed by commercial retrieval services. With Qwen3.6-35B-A3B as the evaluation-time backbone, the resulting skills outperform the deep-research agent by 15.8 points on GAIA and 3.2 points on WebWalkerQA-EN, while also exceeding prior skill-evolution methods.
Authors: Qi Cao, Jian Lou, Meiting Liu, Wenjie Feng, Dan Li, See-Kiong Ng, Anh Tuan Luu
Abstract: Activation steering has emerged as a popular inference-time technique for modulating the behavior of large language models (LLMs). By constructing a steering vector from examples of a target behavior and injecting it into intermediate activations during inference, activation steering enables flexible behavioral control while avoiding the permanent parameter updates required by finetuning. Meanwhile, recent work has identified emergent misalignment (EM) as a significant safety concern, wherein models finetuned on unsafe examples from a narrow task may unexpectedly generalize to broadly unsafe behavior on unrelated tasks. Although finetuning-induced EM has been extensively studied, whether activation steering can induce EM remains comparatively under-explored, despite its increasing use as a model-control technique. In this paper, we present a comprehensive study of activation-steering-induced emergent misalignment, substantially expanding the evaluation scope beyond existing pioneering work. First, we show that activation steering can induce broad misalignment, even in the recent Qwen-3.5 series. Moreover, activation-steered models produce harmful responses with stronger semantic relevance and higher coherence than their finetuned counterparts, making the resulting misalignment potentially more harmful. Second, we characterize properties of AS-induced EM by analyzing key steering-specific factors, including steering magnitude, the low-rank structure of the steering subspace, and the number of epochs during steering-vector construction. Third, we evaluate the robustness and sensitivity of AS-induced EM across diverse model families, model scales, target tasks, and intervention layers. Our findings reveal activation steering as a significant yet under-examined source of emergent misalignment and provide an activation-space perspective for understanding the mechanisms and safety risks of EM.
Authors: Samhita Pal, Tian Gu
Abstract: Modern data-driven applications increasingly involve learning from multiple heterogeneous sources, where a target dataset is limited but related information is available across domains. Naively combining these sources can degrade performance when relevance varies or spurious signals are present, posing a fundamental challenge for trustworthy cross-domain learning. We propose Projection Transfer Learning (ProjectionTL), a unified framework that integrates hierarchical Bayesian modeling with adaptive projection for selective knowledge transfer. The key idea is to decouple transfer at two levels: first, we construct a source-guided hierarchical prior that aggregates information across sources using data-driven weights, capturing global alignment between each source and the target; second, we refine this borrowing through a posterior-projection step that operates at the feature level, selectively retaining coordinates that exhibit local agreement with the target signal. This two-stage design enables the method to simultaneously perform source selection and feature selection, thereby mitigating negative transfer while preserving interpretability. ProjectionTL provides a principled approach to integrating heterogeneous data across domains, bridging statistical modeling and modern machine learning paradigms for robust and interpretable transfer. Through simulations and real-world biomedical applications, we demonstrate improved accuracy, stability, and interpretability compared to existing methods. Our framework offers a scalable and generalizable strategy for trustworthy cross-domain learning in high-dimensional settings.
Authors: Yasuo Tabei
Abstract: Counterfactual recourse aims to provide actionable feature changes that would alter an unfavorable decision made by a predictive model. In practice, affected individuals often benefit from multiple feasible alternatives rather than a single optimal explanation. A natural way to produce such alternatives is to prompt large language models (LLMs). However, prompting incurs a practical constraint: the number of LLM calls is often the dominant computational and economic cost. Together, the need for multiple alternatives and this cost constraint shift the problem from finding a single high-quality counterfactual to efficiently generating a set of oracle-validated counterfactuals under a fixed LLM-call budget. In this work, we study counterfactual recourse generation in the LLM-agentic setting as a fixed-budget search problem and propose Comp-MCTS, an agentic tree-search framework that maximizes the yield of unique, oracle-validated counterfactuals under this budget while maintaining favorable quantity--quality trade-offs. Comp-MCTS allocates the budget toward novel intervention directions via LLM-based proposal generation, oracle validation, and compression-guided pruning, in a training-free, oracle-only setting. Experiments on four real-world tabular datasets show that Comp-MCTS substantially outperforms single-candidate LATS-style baselines in the yield of unique, oracle-validated counterfactuals, and offers favorable quantity--quality--efficiency trade-offs against stronger multi-candidate variants: comparable or higher yield at similar or lower oracle-evaluation cost on three of four datasets, plus competitive proximity, sparsity, and novelty.
Authors: Hongyi Yu, Yaoyu Fang, Jiahe Qian, Xinkun Wang, Lee A. Cooper, Bo Zhou
Abstract: Purpose: Spatial transcriptomics (ST) enables gene expression measurements within the tissue context. However, these measurements are often noisy, low-resolution, and sparsely sampled, which limits the recovery of fine spatial structure. Deep neural networks have become powerful tools for expression imputation from histology, but their performance remains constrained by limited sample sizes and a lack of biologically informed augmentation. Most of the existing augmentation strategies for learning are designed for classification tasks rather than regression, which neglect spatial and transcriptomic relationships, leading to biologically implausible interpolations that hinder prediction performance. Approach: To address these limitations, we propose SNR-ST-Mix, a geometry- and expression-aware data augmentation framework designed specifically for ST data. It constrains mixing to a spot's k-nearest spatial neighbors and adaptively weights interpolation coefficients based on expression similarity, generating augmented samples that preserve local biological structure while ensuring spatial smoothness. This dual conditioning yields synthetic examples that expand the effective training manifold, promote generalization, and enhance prediction stability under sample-specific training. Results: Extensive experiments with various tissue types demonstrate that SNR-ST-Mix consistently outperforms conventional augmentation methods without requiring architectural changes or additional computation. Conclusions: SNR-ST-Mix provides an effective and biologically principled augmentation strategy for spatial transcriptomics regression tasks. By explicitly leveraging spatial geometry and transcriptomic similarity, it expands the effective training manifold and improves predictive performance without increasing model complexity.
Authors: Md Abdullah Al Forhad, Weishi Shi
Abstract: While Deep Active Learning (DAL) effectively reduces human annotation costs, its efficacy is constrained by human annotation errors. This is because the data sampled for active learning is assumed to be highly informative for training. When human annotators introduce errors into this informative data at a certain rate, the active learning performance drops significantly and, in some cases, even exhibits worse outcomes than passive learning. In this paper, we first analyze the impact of human annotation errors in the DAL setting. Then we propose a framework to address the human annotation noise problem for DAL. Informed by human learning patterns, the core idea of our proposed solution involves allocating a portion of the human annotation budget to re-annotate data that has already been labeled. Previous theoretical work suggests that when the model possesses a certain level of ability to identify potentially noisy data, even re-labeling a small fraction of the data can effectively remove noise from the active training set. To achieve this, we implement two active noise sampling strategies to detect noise under different circumstances and allocate a part of the annotation budget to re-annotate these instances. Our approach imbues active learning with a revisiting and introspective behavior. Our experiments demonstrate that, under the same annotation budget, our method is more data-efficient and yields a relatively noise-free annotation dataset in the end.
Authors: Yi Wei, Xuan Qi, Furao Shen
Abstract: Modern neural classifiers commonly rely on linear readouts, yet predictive metrics alone do not characterize the class-wise geometry of the representations on which such readouts operate. We introduce the directional linear separability measure (LSM), a finite-sample diagnostic for one-sided affine separability. For a target class A and a competing set B, LSM searches over affine halfspaces that contain all samples in A and measures the smallest competing-sample intrusion that must remain on the target side, normalized by |A|. The resulting quantity is asymmetric, class-wise, target-normalized, and applicable to finite representations extracted from neural networks. We establish its supporting-hyperplane characterization, relate it to optimal affine classification accuracy, and prove invariance under full-rank linear embeddings. These results separate changes caused by linear reparameterization from those caused by information loss or nonlinear geometric transformations. We also give a penalty-based affine search for estimating class-wise LSM in high-dimensional features, with reported values computed from the original discrete preservation and violation criterion. Finally, we analyze coordinatewise gated nonlinearities as finite-sample geometric operators and empirically use LSM to diagnose class-wise intrusion across common deep-learning components and architectures.
Authors: Muhammed Rasin
Abstract: We study a capability the dominant paradigm in synthetic tabular data does not provide: exact satisfaction of a declared analytical outcome with no source data. Imitation methods (copulas, GANs, diffusion) learn a real distribution and sample from it, and are judged on fidelity to real data. A large, practical class of needs is different: generating data with no source data ("cold start") that reproduces a declared outcome (a revenue curve, a churn rate, a group share) across a relational schema. Off-the-shelf imitation tools offer no interface for such targets, and no sampler can hit an exact aggregate, because sampling has variance. On a real public dataset, off-the-shelf learned synthesizers trained on that very data miss the declared monthly aggregate by 74 to 86 percent; a per-period steelman cuts the miss to about 19 percent and still cannot reach 0; a closed-form generator reaches exactly 0. We name this task outcome-conformant synthesis, argue its evaluation axis is conformance rather than fidelity, and show the two axes are orthogonal. We contribute: (1) a formal account showing a widely-used family of exact-aggregate generators is exactly conditional-sum sampling of a Gamma population (via Lukacs' characterization), with closed-form exactness, a closed-form marginal CV, and scale-invariance; a controlled experiment maps the boundary, enforcing the exact aggregate costs at most 0.006 in 1-Wasserstein distance to an arbitrary external marginal, the rest being shape-family mismatch; (2) SpecBench, to our knowledge the first benchmark to measure conformance to analytical outcomes for cold-start relational synthesis; and (3) a closed-form, deterministic reference system. Exact aggregation alone is trivial; the contribution is conformance jointly with closed-form marginals, integrity, determinism, and zero source data. We concede fidelity to imitation where real data exists.
Authors: Blanka K\"over, Alexandra Butoi, Anej Svete, Michael Hahn, Ryan Cotterell
Abstract: Transformers consistently fail to learn certain simple functions that are provably expressible with specific parameter settings. This gap between learnability and expressivity is particularly prominent for sensitive functions -- functions whose output is likely to change if a single bit of the input is flipped -- for example, PARITY. While prior work has established that transformers exhibit a bias toward functions with low average sensitivity, the precise mechanism underlying this bias remains poorly understood. To shed light on this phenomenon, we study the geometry of transformers' parameter space. We show that sensitive functions -- even when representable -- occupy a vanishingly small region that random initialization is very likely to miss. Specifically, we shift the focus from average sensitivity to the full sensitivity profile -- the distribution of sensitivity values across all inputs -- and prove that randomly initialized transformers almost surely compute functions which have low-sensitivity strings. Consequently, any function that lacks such strings is provably unlearnable.
Authors: Abhivansh Gupta, Simardeep Singh, Advika Sinha, Shreyansh Modi, Akshat Tomar
Abstract: Visual Language Models (VLMs) are known to produce hallucinated predictions that are not grounded in visual evidence, yet existing approaches lack a principled understanding of how robust such predictions are under counterfactual perturbations. In this work, we study the sample complexity of counterfactual robustness for hallucinated outputs in VLMs. We define a causal influence metric based on log-probability differences between factual, counterfactual, and activation-patched runs, and use it to characterize the stability of hallucinated predictions. By leveraging circuit discovery techniques (CD-T), we identify model components responsible for these predictions and track their activation differences across counterfactual samples. We then derive empirical bounds on the minimum number of counterfactual samples m required to reliably detect instability in hallucinated outputs, using concentration inequalities and variance estimates of the causal influence distribution.
Authors: Jiashun Liu, Runze Liu, Xu Wan, Jing Liang, Hongyao Tang, Ling Pan
Abstract: Reinforcement Learning (RL) has emerged as a pivotal post-training paradigm, yet it frequently suffers from unpredictable sub-optimum performance or even training collapses. Recent findings attribute these failures to a hidden train-inference discrepancy (or mismatch), stemming from the disparate underlying engines and architecture. We find that the training policy can actively self-correct such a discrepancy when provided with an appropriate learning signal. Then, we further empirically identify a discrepancy tolerance region: within this region, aggressively narrowing the discrepancy can suppress policy exploration and reduce learning efficiency, whereas outside this region, reducing excessive discrepancy improves optimization consistency and raises the achievable local performance ceiling. According to such findings, we formulate this problem as a Discrepancy-Constrained Markov Decision Process (DCMDP), where reward maximization is coupled with a constraint that aligns training-Inference behavior, achieving stable dual-objective optimization. To adaptively balance performance improvement and discrepancy control, we introduce a Lagrangian relaxation mechanism that dynamically adjusts the relative weight of the two objectives according to the current degree of discrepancy violation. This enables stable dual-objective optimization: the policy is allowed to explore freely within the tolerance region, while being guided back when the discrepancy exceeds the safe boundary. Empirically, DCMDP significantly improves the performance of 8B dense model (Qwen-3-8b) and 30B Mixture-of-Expert model (Qwen-3-30bA3b), and enables a heterogeneous training paradigm, where LLMs can be optimized in high-fidelity training setup while being explicitly aligned for low-cost, resource-constrained inference deployment.
Authors: St\'ephane Eilles-Chan Way, Hugo Percot, Quentin Cappart, Tias Guns, Louis-Martin Rousseau
Abstract: Decision-focused learning has shown great promise for addressing predict-then-optimize problems, particularly in the presence of under-specified models. However, its practical deployment is often hindered by high computational costs and limited scalability, as it requires solving a constrained optimization problem for each training instance at every iteration. To address these challenges, we propose a novel framework that incorporates Lagrangian decomposition into the decision-focused learning paradigm. Specifically, we introduce a new surrogate objective along with two loss functions for evaluating and training the underlying prediction model. We further propose two variants of our approach, which offer different trade-offs between computational efficiency and solution quality. Our framework can be seamlessly integrated with standard decision-focused learning methods, including Smart Predict-then-Optimize (SPO+) and Implicit Maximum Likelihood Estimation (IMLE). Through experiments on two standard benchmarks, the multi-dimensional knapsack problem and quadratic portfolio optimization, we demonstrate that our approach achieves competitive performance while remaining amenable to parallelization. In particular, it consistently outperforms traditional decision-focused learning methods on large-scale instances, involving up to eight times more variables than those typically considered in related work. The implementation is available at https://github.com/corail-research/DFL-LD.
Authors: Riccardo De Santi, Bruce Lee, Cristian Perez Jensen, Kimon Protopapas, Sophia Tang, Cheng-Hao Liu, Pranam Chatterjee, Yisong Yue, Andreas Krause
Abstract: Standard flow and diffusion pre-training matches the distribution of available data (e.g., molecules), which often covers only a small fraction of the valid design space. In generative discovery, however, one aims to sample valid new-to-nature designs, assigned negligible probability under, and thus inaccessible to, standard models fitted to the observed data. To overcome this limitation, we depart from data distribution matching and view a generative model through its generable set: the region it covers with non-negligible probability. This allows to introduce a new learning principle for out-of-distribution flow modeling: enlarging a model's generable set to increase coverage of the valid design space. We propose Active Flow Expansion (ActFlow), a continued pre-training method that employs verifier feedback to expand a pre-trained model over new valid regions by iteratively adapting to synthetic data generated through active exploration in the learned flow representation. Theoretically, we establish to our knowledge first-of-their-kind statistical learning guarantees for out-of-distribution flow modeling, analyzing generable set expansion as a local-to-global reachability process over a learned representation. Empirically, we assess ActFlow with suitable out-of-distribution generative modeling metrics across small organic molecules, mid-sized drug-like molecules, therapeutic peptides, and protein sequence design tasks. Results show that ActFlow expands valid coverage far beyond the region modeled by the initial pre-trained model, significantly outperforming widely adopted synthetic flow pre-training methods.
Authors: Jake Fawkes, Liam Hodgson, Jason Hartford
Abstract: Predicting the effect of an unseen gene knockout perturbation on transcriptomic gene expression remains a highly challenging problem for virtual cell models. Recent progress has been made by leveraging biological knowledge graphs to provide a notion of similar perturbation, allowing for improved extrapolation beyond the set of training perturbations. In this work, we demonstrate that the simplest model to leverage these assumptions - a K-nearest neighbour from the knowledge graph - achieves highly competitive performance on this task, and that this can be improved further using LLMs optimised via reinforcement learning (RL) for predictive performance. Specifically, we find that the K-nearest neighbour approach beats almost all methods on out-of-distribution perturbation prediction, and when a reasoning LLM is trained via RL to make changes to the neighbourhood, it obtains equivalent performance to current state of the art methods on the cell lines from Replogle et al. (2022). We also demonstrate that the RL training improves the LLM's performance on the downstream task of differential expression prediction, despite not being trained on this directly. Overall, these findings demonstrate the efficacy of knowledge graphs as model priors, and show early signs that RL can refine LLMs into generalizable tools for predicting complex biological responses.
Authors: Giorgio Giannone, Mustafa Eyceoz, Shabana Baig, Shivchander Sudalairaj, Anna C. Doris, Faez Ahmed, Akash Srivastava, Kai Xu
Abstract: Inference-Time Scaling (ITS) has largely succeeded in verifiable domains like math and coding, where cheap verification enables scalable output selection. However, extending ITS to tasks prone to systematic failure - driven by faulty initial assumptions or unmet multidimensional constraints - typically relies on costly external solvers or brittle, model-based verifiers. Our key insight is that the intrinsic statistics of parallel sample sets, specifically length-adjusted tail entropy, provide a robust discriminative signal for solution quality without access to ground truth. Crucially, these statistics serve as a difficulty gate for adaptive compute allocation, dynamically routing problems across scaling regimes. First, Intrinsic Selection (iS) ranks candidates post-hoc, matching consensus-based algorithms across three domains and improving engineering design selection by 20% over pass@1 baselines. Second, Intrinsic Particle Filtering (iPF) generalizes this to step-level resampling, guiding generation toward high-confidence reasoning trajectories to improve pass@1 by 6.1 points on average on hard math problems. Finally, Particle Distillation (dPF) injects privileged guidance via early logit blending and KL-guided resampling, steering generation past systematic reasoning errors to satisfy expert rubrics, yielding up to 26.5% gains on complex clinical responses. Our pipeline applies seamlessly across broad-purpose, domain-specialized, and multimodal architectures, successfully extending ITS to open-ended domains without requiring trained reward models or exact ground-truth verification.
Authors: Shivchander Sudalairaj, Kai Xu, Akash Srivastava, Giorgio Giannone
Abstract: Standard Reinforcement Learning with Verifiable Rewards (RLVR) training allocates a fixed rollout budget to every query, without regard for what each query's difficulty means for the current policy. This leads to two symmetric failure modes: easy queries produce near-zero advantage because the policy already solves them, while unsolvable queries produce no signal because the policy never solves them. Both regimes waste training FLOPs without contributing to a learning gradient. We introduce sorted Group Policy Optimization (sGPO), a compute-efficient strategy that trades a small budget of inference FLOPs for a large reduction in wasted training FLOPs. The key insight is that cheap inference compute can serve as a single offline proxy for query difficulty. By generating a small batch of parallel samples per query under the initial policy, we obtain a model-aware empirical success rate. This motivates setting the training rollout group size to the inverse of this success rate, a practical rule that maximizes sample efficiency by extracting the most advantage per generated rollout. This single profiling pass simultaneously drives data filtering (removing trivial queries and sub-sampling unsolvable ones), adaptive group size allocation, and curriculum construction (scheduling queries from easy to hard). sGPO matches or exceeds baseline performance while reducing total training compute by a factor of three, with the upfront inference profiling cost included.
Authors: Mikhail Terekhov, Caglar Gulcehre, Vivek Hebbar, Joe Benton
Abstract: AI models deployed in critical domains, such as AI safety research, may subtly sabotage our efforts due to misalignment. Diffuse AI Control is a subfield of AI safety concerned with mitigating risks from AI sabotage distributed over long deployment horizons (diffuse threats). These risks are particularly pernicious on fuzzy tasks, i.e. tasks which are hard to grade or require intuition. To understand diffuse threats on fuzzy tasks, we introduce a novel framework that considers AI control as an adversarial game between a blue team and a red team. The blue team uses a weak trusted model to construct a weak score against which they would train a strong, potentially subversive model to remove the subversion propensity if it were present. The red team then tries to find model behaviors that are rated highly by the weak score, and thus might not be trained out, but actually correspond to poor performance. We test our framework on the task of writing experimental proposals for research questions from recent ML papers. We use a language model with access to the original paper as a proxy "ground-truth" scorer. Our red team discovers subversive behaviors using multi-objective evolutionary prompt optimization. We show that Opus~4.6 can write proposals that are worse according to the ground truth proxy than those of GPT-OSS-20B, while the weak scorer rates them as highly as the best proposals from Opus 4.6. To mitigate the threat, we propose an adversarial optimization algorithm for the blue team that discovers more robust prompts for the weak model. This algorithm produces a blue team prompt that our red team optimization fails to exploit.
Authors: Iv\'an Belenky, Joaqu\'in Itria, Steven Johns
Abstract: A small transformer encoder is trained to map Terminal-Wrench trajectories onto a unit sphere where embedding distance approximates the $L_1$ distance between reward and metadata signals. A linear probe on top of that embedding detects reward hacking on the cleaned test split with AUC $0.9467$ and TPR@5%FPR $0.8296$, matching the TW sanitized LLM-as-judge AUC ($0.9510$ on the cleaned split) and exceeding its TPR@5%FPR ($0.7130$ vs $0.8296$) on the same information condition, at roughly four orders of magnitude lower per-trajectory cost. The encoder is not a pure behavior reader: stripping natural-language reasoning from its input at probe time drops AUC to $0.6213$.
Authors: Nicholas I-Hsien Kuo, Blanca Gallego, Louisa Jorm
Abstract: Synthetic healthcare data are widely proposed as privacy-preserving substitutes for real patient data, yet their evaluation remains dominated by statistical similarity and predictive performance that do not reflect clinical validity. We introduce a multi-dimensional evaluation framework grounded in epidemiology, assessing descriptive fidelity, clinical utility, and structural validity, corresponding to descriptive, predictive, and causal questions. We evaluate four representative generative paradigms - GAN-based, VAE-boosted, diffusion-based, and masked modelling - using PRIME-CVD, a 50,000-person cohort with known ground-truth structure. While all models reproduce marginal distributions, none simultaneously preserve subgroup structure, effect estimates, and dependency structure. Notably, models with strong distributional fidelity can exhibit poor calibration and distorted relationships, leading to unreliable inference. These results show that current evaluation practices can overestimate synthetic data quality and motivate domain-informed assessment based on the ability to support valid clinical and scientific conclusions.
Authors: Sooho Moon, Jian Kang, Yunyong Ko
Abstract: Knowledge graph completion (KGC) aims to predict missing facts from an observed knowledge graph (KG), playing a crucial role in a wide range of real-world applications such as drug discovery, recommender systems, and retrieval-augmented generation (RAG). Although numerous KGC models have been proposed, the evaluation of KGC remains underexplored, despite its critical role in reliably assessing model performance and selecting appropriate models for real-world applications. In this paper, we introduce two important perspectives for KGC evaluation that are overlooked by existing evaluation metrics, (P1) predictive sharpness and (P2) popularity-bias robustness. To address both perspectives, we propose a generalized evaluation framework, PROBE, which consists of a rank transformer (RT) that estimates the score of each prediction based on a desired level of predictive sharpness and a rank aggregator (RA) that determines the final evaluation score by aggregating all prediction scores according to a desired level of popularity-bias robustness. We theoretically analyze PROBE by defining six key properties for reliable KGC evaluation and prove that PROBE satisfies all the properties, while existing metrics fail to satisfy some. In particular, due to the open-world nature of KGs, an evaluation metric should preserve the relative performance of KGC models even when only incomplete facts are observed. We show that PROBE better maintains such consistency, providing a more reliable estimate of intrinsic model performance than existing metrics. Extensive experiments with six KGC models on six real-world KGs reveal that existing metrics may over- or under-estimate model performance depending on different evaluation perspectives, whereas PROBE enables a more comprehensive, flexible, and consistent evaluation of KGC models.
Authors: Sooho Moon, Yunyong Ko
Abstract: Knowledge graph completion (KGC) models are commonly evaluated using rank-based metrics such as MRR and Hits@K, despite different users often requiring different evaluation perspectives. In this demo, we present PROBE-Web, an interactive system for probing diverse evaluation landscapes for KGC models. PROBE-Web enables users to flexibly evaluate KGC models by adjusting two critical perspectives: (P1) predictive sharpness and (P2) popularity-bias robustness. Through a user-friendly GUI, users easily evaluate multiple KGC models and analyze their strengths and weaknesses. PROBE-Web provides four key functionalities: (1) conventional evaluation toolkit, (2) flexible perspective-aware evaluation, (3) explainable case studies, and (4) evaluation landscape exploration. We believe that PROBE-Web can help users better understand KGC models aligning with their objectives.
Authors: Yuan-chin Ivan Chang
Abstract: Recurrent neural networks maintain a hidden state $h_t$, but its probabilistic meaning is often unclear. We study hidden-state stability through \emph{backward coherence}: the extent to which $h_t$ can be reconstructed from $h_{t+1}$ by a learned backward projector $g_\phi$. Under contraction and summable backward drift, the hidden-state sequence forms a quasi-reverse-martingale. This yields almost-sure convergence, rates under mixing, an interpretable limiting representation, finite pathwise stopping times, and a theoretical framework for time-uniform confidence sequences. Simulations support the theory. Backward-coherence regularisation reduces the empirical quasi-martingale total $\hat Q$ by $43$--$58%$, reaches stability $28$--$44%$ earlier than an unregularised RNN, and gives tracking-error recovery consistent with geometric bounds. Additional tests confirm echo-state forgetting rates bounded by $\rho$ and verify the increment-sum tube $R_t$ with $100%$ simultaneous coverage, although $R_t$ is conservative; in practice, the defect-tail proxy $\hat Q_t$ is the more useful monitor. The backward-coherence loss is also equivalent to minimising a Kullback--Leibler divergence in a Gaussian backward model, linking the method to variational inference. Extensions cover $\phi$-mixing inputs, change-point tracking, and finite-sample concentration. Three real-data studies further validate the approach. On PhysioNet 2012 ICU data, the Reverse Martingale RNN (RMRNN) matches RNN mortality-prediction AUC while reaching stable representations 13 hours earlier. On FRED-MD, it reduces one-month-ahead forecast error by about fourfold under concept drift. On UCI Human Activity Recognition, it maintains lower post-transition tracking error with geometric decay. The guarantees apply under the stated assumptions; universality is not claimed.
Authors: Kang Zhang, Wei Jian Lau, Shoushou Ren, Dong Lin, Joon Son Chung, Chuanhao Sun
Abstract: Representation-based time-series anomaly detection algorithms significantly outperform other methods on diverse anomaly detection tasks. However, we notice that they suffer from a major limitation in our evaluation - their learned embeddings are often amplitude-agnostic. Losing amplitude information can degrade performance on amplitude related anomalies, and this failure is prevalent across all existing representation-based methods. To address aforementioned issues, we propose a new anomaly scoring scheme named PAI. PAI consists of two complementary modules, a diagnostic module and a final score augmentation function. The diagnostic module compares cosine and Euclidean scoring on the same representation bank to test whether amplitude information is already captured in the learned representation. Then in final score augmentation function, PAI computes a point-wise median and MAD deviation score and a local mean-shift score-which are fused with the representation score to produce the final anomaly score. On the TSB-AD-U-Eva and TAB UV datasets, PAI improves all four evaluated representation-based methods across every reported metric, achieving average VUS-PR gains of 98.4% and 36.8%, respectively. Among all evaluated combinations, PaAno + PAI achieves the best performance, outperforming the state-of-the-art method by 15%. Further evaluation on bootstrap confidence intervals, anomaly-type breakdowns, and a TS2Vec input-normalization ablation further support the proposed scheme. These results suggest that explicitly retaining amplitude information is important for representation-based time-series anomaly detection, which has been underemphasized in existing scoring schemes. Code is available at: https://github.com/pantheon5100/PAI
Authors: Nicholas I-Hsien Kuo, Blanca Gallego, Louisa Jorm
Abstract: We investigate whether information about time-to-event risk estimated by a Cox proportional hazards model can be transferred into a generative large language model. We propose a text-based survival modelling pipeline in which structured clinical covariates are converted into text prompts and a Qwen-based large language model is fine-tuned to generate patient-specific survival risk using Cox model predictions as a training target. Across GBSG2, ACTG320, and WHAS500, the model achieves competitive held-out discrimination and calibration despite being trained as a text-generation task rather than with a conventional survival-analysis loss. We further analyse the geometry of the model's hidden states, where t-SNE visualisations reveal smooth risk gradients in latent space, suggesting that the model represents survival risk as a continuous structure rather than isolated risk categories. Together, these findings suggest that large language models can internalise survival-risk structure while supporting calibrated prediction, providing a route towards time-to-event reasoning in language models.
Authors: Lei Luo, Yingzhen Zhang, Jian Yang
Abstract: Modern generative models often define an entire probability path from a simple prior to the data law, rather than only an endpoint map. Diffusion models follow stochastic denoising paths, flow matching learns transport fields, consistency and distillation methods compress paths into one or a few steps, adversarial models match terminal distributions, and VAEs generate through latent kernels. Existing unifying views mainly describe how such paths are constructed. We study a complementary question: when is a generated probability path self-consistent? We define a self-consistent generative path as a random fixed point of admissible local variational transport corrections. In this framework, a local correction is specified by a random variational transport operator combining a divergence or geometry term, an energy term, and a structural constraint. The framework contains random regularized optimal-transport proximal steps as a structured instance, while also allowing non-OT divergences, latent kernels, adversarial constraints, causal discrete kernels, and terminal one-step maps. The theory yields a random fixed-point path residual (R-FPR), which measures the gap between the actual generated path and an admissible local correction. We prove well-posedness, random fixed-point existence and attraction, non-contractive existence, residual-to-generation error bounds, empirical residual concentration, proxy perturbation bounds, continuous-time limits, and operator-level generalization with model-specific corollaries. The resulting theory turns endpoint matching into path self-consistency testing and provides a residual-control principle for diagnosing failures, regularizing training, and guiding adaptive sampling across diffusion, flow, one-step, VAE, GAN/WGAN, and autoregressive generators.
Authors: Conor Rowan
Abstract: Scientists have historically relied on mathematical models based on differential equations to relate system inputs -- forces, fluxes, or heat sources -- to outputs, such as displacement, velocity, concentration, and temperature. These models rely on deep domain knowledge to determine the form of the governing differential equation, which is then calibrated with data by solving an inverse problem. In recent years, the field of Scientific Machine Learning has introduced a variety of alternative modeling strategies for physical systems. A method called Sparse Identification of Nonlinear Dynamics learns the governing equation as a sparse linear combination of terms in a user-defined library. Neural Ordinary Differential Equations construct the governing equation by taking in the state and its derivatives at the input layer of a neural network. Entirely foregoing the modeling framework of differential equations, neural operators directly learn a non-linear mapping between the system inputs and outputs. From inverse problems to neural operators, all of these modeling strategies can be conceptualized as data-driven machinery to predict a system's response over a range of inputs. It is then natural to wonder how exactly these various strategies relate to each other, and whether they can be neatly taxonomized. Drawing from the philosophical literature on scientific models, we argue that many model types have a common structure, differing only in the assumed model class of the input-output relation they define. Connecting to philosophical ideas on mechanism, and arguing that data from physical systems arises from solutions to parsimonious differential equations, we propose that only certain models are capable of mechanism discovery, and thus generalization. Our analysis is intended to unite apparently disparate modeling strategies and provide insight into their appropriate use cases.
Authors: Weisen Zhao, Lam Nguyen, Zhicong Lu, Yuzhang Shang
Abstract: World Action Models (WAMs) generalize better than standard Vision-Language-Action (VLA) policies to novel motions and environments, because a video-modeling objective lets them learn from abundant unlabeled video rather than scarce labeled robot demonstrations. This generalization is computationally expensive. To complete a task, a WAM runs over multiple inference chunks, and each chunk requires a costly denoising process. Existing acceleration methods reduce this cost by caching and reusing computation within a single chunk's denoising trajectory. Our empirical analysis reveals a substantial source of redundancy they overlook: redundancy across chunks. When a robot executes a smooth behavior, the residuals computed at a given denoising step are strongly correlated from one chunk to the next. We introduce C$^3$ache, a training-free method that caches and reuses these residuals across inference chunks at the same denoising step. Experiments on benchmarks with a Fast-WAM backbone show that C$^3$ache achieves up to a $2.5\times$ speedup in total wall-clock inference time, with negligible degradation in task success rate.
Authors: Vladimir Braverman, Chen Wang, Liudeng Wang, Samson Zhou
Abstract: Motivated by the recency effect in online learning, we study algorithms for single-pass *sliding-window streaming multi-armed bandits (MABs)* in this paper. In this setting, we are given $n$ arms with unknown sub-Gaussian reward distributions and a parameter $W$. The arms arrive in a single-pass stream, and only the most recent $W$ arms are considered valid. The algorithm is required to perform pure exploration and regret minimization with limited memory, defined as the number of stored arms. The model is a natural extension of the streaming multi-armed bandits model (without the sliding window) that has been extensively studied in recent years. We provide a comprehensive analysis of both the pure exploration and regret minimization problems with the model. For pure exploration, we prove that finding the best arm is hard with sublinear memory while finding an approximate best arm admits an efficient algorithm. For regret minimization, we explore a new notion of regret and give sharp memory-regret trade-offs for any single-pass algorithm. We complement our theoretical results with experiments, demonstrating the trade-offs between sample, regret, and memory.
Authors: Joohee Cho, David Yoon Suk Kang, Yunyong Ko
Abstract: Hypergraph knowledge distillation aims to retain the predictive performance of a hypergraph neural network (HNN) teacher while reducing inference costs through a lightweight student model. In this work, we observe that HNNs exhibit substantially lower prediction performance on heterophilic nodes connected through semantically diverse hyperedges, indicating that the reliability of teacher knowledge varies across nodes. Motivated by this observation, we propose HADES, a heterophily-aware adaptive distillation method for hypergraph neural networks. HADES quantifies node heterophily and leverages it as an estimate of teacher reliability to modulate the transfer of teacher knowledge during distillation. Experimental results on real-world hypergraphs demonstrate that HADES consistently improves student performance across different HNN teachers and distillation objectives. In many cases, the resulting student models surpass the predictive performance of their teachers while achieving up to 12.3 times faster inference.
Authors: Hu Tan, Kuo Gai, Shihua Zhang
Abstract: While neural collapse (NC) predicts that a $K$-class-balanced classifier should organize terminal representations as a $(K-1)$-dimensional simplex equiangular tight frame (ETF), modular addition consistently enters a different regime: networks compress to a two-dimensional cyclic geometry in which both classifier weights and token embeddings lie on circles. We refine the explanation of this phenomenon in three directions. First, we formalize a layerwise non-uniform training mechanism: downstream classifier weights are driven by dense cross-entropy gradients into a rank-2 equiangular configuration before upstream embeddings fully reorganize, and once this classifier plane forms, backpropagated feature gradients constrain embedding motion to the same plane while weight decay suppresses orthogonal components. Second, after this subspace locking, the induced in-plane dynamics admit an entropy-regularized transport interpretation on $S^1$; combined with modular-addition labels, this reduces embedding formation to phase alignment, whose minimizers are single-frequency characters of $\mathbb{Z}/P\mathbb{Z}$ and hence equal-angle points on a circle. Third, we quantify why this solution prevails over NC: a simplex ETF gains only an $O(1)$ advantage in cross-entropy, whereas the cyclic rank-2 solution enjoys a $\Theta(K)$ advantage under Schatten or weight-decay surrogates, yielding a critical threshold $\lambda_{\mathrm{crit}} = \Theta(1/K)$. Our results explain both why classifier weights move first and why embeddings subsequently align with them, showing that grokking on modular arithmetic is governed not by maximal separation alone but by a task-structured trade-off between separation, symmetry, and complexity.
Authors: Binh Nguyen, Trinh Tran, Truong X. Nghiem
Abstract: We propose LEAF, a learning-enabled ADMM framework for accelerated convex optimization. The key idea is to approximate the Moreau envelope of the objective function using an Input Convex Neural Network (ICNN), resulting in a learned model that preserves convexity and smoothness. This leads to the proposed Moreau Envelope Learning ADMM (MEL-ADMM) and its splitting variant sMEL-ADMM. Unlike existing approaches that learn high-dimensional operators directly, LEAF learns a scalar-valued Moreau envelope, significantly reducing model complexity and improving data efficiency. The framework accommodates a broad class of convex problems with smooth and non-smooth objectives. By embedding convexity explicitly through the ICNN architecture, the proposed approach maintains high approximation accuracy while preserving key structural properties of the optimization problem. Both MEL-ADMM and sMEL-ADMM are developed with theoretical guarantees of convergence and feasibility under the learned model. Rigorous analysis shows that the proposed methods achieve convergence rates comparable to classical ADMM while reducing per-iteration computational cost. Numerical experiments demonstrate up to an order-of-magnitude speedup over state-of-the-art solvers while maintaining low optimality gaps
Authors: Hanyang Li, Jianhao Ma, Ying Cui
Abstract: Post-training quantization (PTQ) converts a trained full-precision model into low-bit weights without task-level retraining, while quantization-aware training (QAT) incorporates quantization into the training loop. Although PTQ is efficient and often accurate at moderate bitwidths, it can fail sharply at aggressive bitwidths; QAT is more expensive but can often recover the lost accuracy. We propose a unified geometric framework that explains both PTQ failure and QAT recovery. We model full-precision training as following a low-loss \emph{river} inside a wider \emph{valley}: a normal neighborhood of the river forms a nearly flat \emph{basin}, while leaving this basin incurs a sharp loss increase. When the quantization grid is comparable to the basin width, local PTQ objectives, including rounding and Hessian-based second-order reconstruction, can select a high-loss deployed quantized point outside the basin even when nearby low-loss quantized points exist. In this regime, straight-through-estimator-based QAT has a useful bias: it evaluates gradients at the deployed quantized weights while updating latent full-precision weights, causing the gradient to sense the valley wall and acquire an inward component that steers subsequent quantized iterates back into the basin. We formalize this mechanism through a local landscape model, construct a geometric PTQ failure mode, and prove finite-time QAT recovery under local quantizer-compatibility assumptions. Experiments across vision and language models under multiple neural-network quantization schemes corroborate the predicted basin-crossing failure of PTQ and the corresponding recovery mechanism of QAT.
Authors: Ayan Pendharkar
Abstract: We ask whether structural properties of intermediate grid states predict whether a symbolic ARC-AGI solver will succeed, framed as a test of conditional mutual information I(X;Y|task) > 0. Across 44,800 runs spanning two architecturally distinct solvers (beam search and Stochastic DFS), 400 ARC tasks, 28 configurations per solver, and both training and evaluation splits, hand-crafted grid descriptors measured at 50% trajectory completion discriminate successful from failed runs within the same task (mean within-task best-feature AUC = 0.885, p < 0.001 under within-task label permutation). Most predictive content lies along a single grid-complexity axis. The result generalizes across solver architectures: a feature selected on one solver predicts success on the other with AUC 0.747-0.762 in all four transfer directions (p < 0.001, leakage controlled). On a pre-registered held-out set of 41 reliable tasks, the frozen feature n_components_final achieves AUC = 0.765 (95% CI [0.717, 0.810], p < 0.001), robust under task-clustered bootstrap resampling and cross-solver task collapsing. The signal is not explained by solver capacity (configuration-residualized AUC = 0.927 and 0.896 for beam search and SDFS, p < 0.001) and is only weakly coupled to score trajectories (R^2 approximately 0). Early stopping at 50% completion reduces beam-search compute by 33.6% while retaining 98.9% of solves; degenerate-trajectory detection reduces SDFS compute by 65.3% with no solve loss. Finally, on 229 of 400 evaluation tasks the DSL primitive library produces no valid transition from the input grid. This 0-step collapse is invariant to search budget and universally failed by beam search, indicating a DSL coverage limitation rather than a search-budget effect.
Authors: Hyeongwon Jang, Gyouk Chu, Changhun Kim, Joonhyung Park, Hangyul Yoon, Eunho Yang
Abstract: Clinical early warning systems built on electronic health records, in which clinical observations are recorded as irregularly sampled medical time series (ISMTS), must deliver both calibrated risk scores for patient triage and interpretable rationales that clinicians can verify. Large Language Models (LLMs) have been explored for this task, yet they collapse graded clinical risk into overconfident binary predictions. This risk polarization undermines both calibration and cross-patient comparability. To address this, we propose TRIAGE, a framework that trains an LLM to generate dialectical reasoning over competing clinical outcomes by eliciting outcome-specific rationales. This dialectical formulation mitigates risk polarization, enabling a single LLM to yield continuous risk scores grounded in explicit clinical reasoning. Evaluated on three ISMTS benchmarks, TRIAGE achieves an average AUPRC improvement of 3.3% and reduces calibration error by 81% compared to the competitive baselines. An LLM-as-a-judge assessment further shows that our rationales surpass post-hoc explanations from the baseline by 20% in clinical reasoning quality. The source code is available at https://github.com/HyeongWon-Jang/TRIAGE .
Authors: Fengyuan Liu, Yongliang Miao, Zirui He, Yanguang Liu, Fei Sun, Mengnan Du
Abstract: Reward models trained from pairwise preferences often exploit superficial shortcut cues rather than learning true response quality. We propose DynaCF, a dynamic reweighting framework for mitigating shortcut learning in reward model training. Unlike static shortcut heuristics, DynaCF measures shortcut sensitivity online during optimization by applying semantics-preserving counterfactual perturbations and tracking the resulting margin shifts and preference flips under the current model. Samples with higher shortcut sensitivity are dynamically downweighted in the Bradley-Terry objective, encouraging the model to rely less on superficial patterns and more on task-relevant preference signals. Extensive experiments show that DynaCF consistently improves robustness in preference modeling.
Authors: Vyzantinos Repantis, Ameya Gawde, Harshvardhan Singh
Abstract: Useful audits reveal not only how often a model fails, but also where its failures concentrate. An auditor may test many candidate explanations: long inputs, indirect questions, distracting evidence, or combinations of these factors. The risk is selection. The largest observed effect may reflect a real failure mode, or it may simply be the best result among many tried. We introduce Janus, a procedure for deciding when a proposed error explanation is credible enough to report. The goal is not to generate new explanations, but to decide which ones hold up. The auditor starts with a fixed model, a labeled evaluation set, and a frozen list of candidate explanations, which we call descriptors. Janus scores each descriptor by its error-rate lift, then compares real descriptors with fake ones that have the same frequencies but are randomly assigned to examples. A descriptor is confirmed only if it beats this decoy floor on the data used for discovery and then repeats on separate held-out data. In a controlled audit of multi-table lookup tasks, Janus identifies the planted failure, confirming long-chain descriptors and their interactions. The LLM often stops partway through the lookup chain instead of reaching the final answer. On two public benchmarks, MuSiQue and LongBench v2, the SliceLine baseline flags plausible high-error pockets, but Janus confirms none of them. Ablations show why both safeguards matter. On LongBench v2, an uncalibrated fixed threshold reports 20 descriptors, the decoy floor leaves one, and the holdout check rejects the last one after its lift shrinks from 0.36 to 0.05. The resulting principle separates proposing explanations from reporting them. Candidates may come from any source, but only those that beat decoys and replicate on fresh data become audit findings.
Authors: Fuli Wang, Wei Qian, Daniel L. Lau, Gonzalo R. Arce
Abstract: Convolutions have successfully transitioned from image processing to the complex realm of non-Euclidean higher-order domains, particularly in hypergraphs. Despite the success in convolution, the exploration of a popular architecture named U-Net remains largely unexplored for hypergraph data due to the lack of well-defined pooling and unpooling operations. This work pioneers the study of U-Net architectures for hypergraph data, addressing the critical challenge of designing effective pooling and unpooling operations that retain maximal structural information from the input hypergraph. Motivated by hierarchical clustering, we propose to construct the pooling and unpooling operators all at once by cutting the clustering dendrogram at different granularities, named the Parallel Hierarchical Pooling (PHPool) and Unpooling (PHUnpool) operators. Unlike existing pooling methods that risk local structural damage through a sequential learning procedure, our PHPool operators are designed in a global and parallel manner to ensure fidelity to the original hypergraph structure with efficient computation while the PHUnpool operators are tailored to perform inverse operations of the PHPools for hypergraph reconstruction. We validate our model through hypergraph reconstruction simulation, hypergraph classification, and node-level anomaly detection, where it demonstrates superior performance over existing state-of-the-art graph and hypergraph deep learning methods.
Authors: Siyu Chen, Miao Lu, Beining Wu, Heejune Sheen, Fengzhuo Zhang, Shuangning Li, Zhiyuan Li, Jose Blanchet, Tianhao Wang, Zhuoran Yang
Abstract: Self-evolution offers a scalable path to stronger reasoning: a pretrained language model improves itself with only minimal external supervision. Yet existing methods either depend on extensively curated or teacher-generated training data, or, when the generator runs unsupervised, reward it by a difficulty heuristic that need not improve the solver. We introduce INFUSER, an iterative co-training framework with two co-evolving roles: a Generator that drafts questions and reference golden answers from a pool of unstructured, automatically collected documents, and a Solver that improves by training on them. The solver is trained with standard correctness rewards against the generator-provided answers, while the generator is rewarded by an optimizer-aware influence score that measures whether each proposed question would actually improve the solver on the target distribution. Because this continuous, noisy influence score is poorly served by standard GRPO, we propose DuGRPO, a dual-normalized variant of GRPO, for generator training. Together, these turn the document pool into an adaptive curriculum that favors questions useful to the current solver, not just hard ones. On Qwen3-8B-Base, INFUSER outperforms strong self-evolution baselines with over 20% relative improvement on Olympiad and SuperGPQA benchmarks, and an 8B INFUSER co-evolving generator outperforms a frozen 32B thinking generator on math and coding. Ablations confirm each design choice is necessary, and two extensions, applying INFUSER to an instruction-finetuned anchor and augmenting it with rule-verifiable RLVR data, further demonstrate the flexibility and generalizability of the framework. Code is available at https://github.com/FFishy-git/INFUSER.
Authors: Jianxiong Shen
Abstract: Two-stage post-training -- a Stage-1 warm-start (supervised fine-tuning, SFT, or on-policy distillation, OPD) followed by Stage-2 reinforcement learning (RL) -- is increasingly used for vision-language models (VLMs). We ask what Stage-1 actually controls in a small-data study using Qwen2.5-VL-7B with a same-modality 72B VLM teacher for OPD. First, the three warm-starts reach a narrow $53$--$54\%$ band on Geometry3K internal validation, consistent with the narrow range reported by recent specialized methods; this setup provides little evidence that Stage-1 changes the in-domain endpoint. Second, a matched-recipe, early-stopped SFT improves out-of-domain MathVista by $+2.1$ points, reversing the $-9.5$-point drop of an over-trained variant. The clearest difference is the \emph{entropy regime}: OPD enters RL with substantially higher policy entropy than either SFT initialization, and the separation remains visible through the available trajectories. At the in-domain initialization, OPD also has higher answer diversity and pass@16 ($+2.0$ to $+5.2$ points over SFT), although problem-level bootstrap intervals show that the smaller contrast is uncertain. The advantage is absent after RL (endpoint pass@16 values within $1.1$ points) and on MathVista (six models within $1.2$ points). Our contribution is therefore a bounded empirical characterization: Stage-1 is strongly associated with the entropy regime in this setup, but the downstream payoff is small, localized, and not evidence that OPD is a better RL warm-start.
Authors: Tu Do, Shannon Ryan, Santu Rana
Abstract: In science and engineering, Lagrangian simulation methods such as Smooth Particle Hydrodynamics (SPH) or Material Point Method (MPM) are often employed to study the behavior of dynamic systems. However, these methods can be prohibitively computationally expensive, particularly when simulating multi-scale spatial or temporal phenomena, e.g., void growth and coalescence within macro-scale geometries, structural failure of spacecraft components resulting from hypervelocity impact of space debris particles, etc. In contrast to graph-based methods, where the state of the system is understood as a discrete set of particles, we propose a learning framework for scalable representation and dynamics modeling of massive particle systems by treating the system state as a function and its evolution as a trajectory in Hilbert space. Rather than representing the state as a discrete set of particles or embedding it in a nonlinear latent manifold, we approximate the state space with a linear subspace spanned by learned neural basis functions. This parameterization enables direct projection to obtain latent coefficients and explicit access to the basis functions, avoiding optimization over a nonlinear latent space. The resulting representation admits a natural interpretation: latent variables correspond to coefficients in Hilbert space, and basis functions correspond to spatial modes, analogous to Proper Orthogonal Decomposition. The framework thus unifies classical projection-based reduced-order modeling with modern deep learning, while remaining invariant to the number of discretization points. Experiments on large-scale SPH simulations with over one million particles, including dynamic events with extreme deformation and fragmentation, demonstrate that the proposed method accurately reconstructs and predicts dynamics, achieving an R$^2$ score above $0.99$ with as few as $32$ basis functions.
Authors: Ely Hahami, Yoel Zimmermann, Ray Zhou, Jack Benarroch Jedlicki
Abstract: Reinforcement learning from human feedback (RLHF) is bottlenecked by \emph{reward hacking}, where the policy exploits errors in a proxy reward model (RM) and produces high RM scores without genuine quality gains. A natural mitigation is \emph{pessimism}: penalizing rewards in regions where the RM is uncertain. However, standard scalar RMs provide no principled notion of uncertainty. We argue that the right object is a \emph{distributional} reward model $p(r\mid x,y)$. Under either a Bayesian inference or a KL-distributionally robust optimization (KL-DRO) lens, the KL-regularized RLHF objective admits a closed-form effective reward $\tilde r(x,y) = \pm\beta\log\mathbb{E}_p[e^{\pm r/\beta}]$. The pessimistic branch unifies the prior heuristics for RM ensemble aggregation: mean aggregation, worst-case optimization (WCO), and uncertainty-weighted optimization (UWO) all emerge as limits or truncations of this single expression. This also clarifies the implicit assumptions of each existing rule.
Authors: Basile Plus-Gourdon, Frank Nielsen
Abstract: The Legendre-Fenchel (LF) transform is a fundamental tool in convex analysis and machine learning that maps lower semi-continuous functions to their convex conjugates. In practice, when closed-form formula are not available for expressing convex conjugates of given functions, one must approximate them using various techniques. One recent such versatile numerical method is the deep Legendre transform method which relies on neural networks although it remains challenging particularly for tackling ill-conditioned functions. This work builds on the reformulation of the LF transform as a projective polarity. A notable property of this framework is its affine invariance. We leverage this affine invariance to introduce a Hessian-based preconditioning strategy. Specifically, we apply an affine deformation around a minimizer so that the second-order Taylor approximation of the function coincides with the canonical paraboloid, whose conjugation map is the identity. A residual network initialized near the identity can then learn this simplified mapping, while the original conjugation map is recovered through the inverse deformation. The proposed preconditioning incurs only a modest computational overhead, consisting of a single eigendecomposition during initialization and two matrix-vector multiplications per query. Experiments on a diverse set of convex functions, including high-dimensional benchmarks, demonstrate improved convergence rates and enhanced numerical accuracy of the conjugation, with particularly significant gains for ill-conditioned problems. Finally, we discuss the scope of applicability of our proposed method and highlight several of its limitations.
Authors: Aakriti Agrawal, Souradip Chakraborty, Armin Saghafian, Nihal Sharma, Rizal Fathony, Nam H Nguyen, C. Bayan Bruss, Amrit Singh Bedi, Furong Huang
Abstract: Process Reward Models (PRMs) improve credit assignment for reasoning by providing step-level feedback. However, we identify a hidden bias in PRMs caused by severe imbalance in step-level training data. Standard cross-entropy training amplifies this bias, causing PRMs to overcredit plausible but incorrect steps and produce high false-positive rates. We show that these false positives have an asymmetric downstream effect: false negatives mainly slow exploration, whereas false positives actively steer Best-of-N selection, guided decoding, and policy optimization toward flawed reasoning. This suggests that PRM training should shift from pointwise label fitting to reliable relative comparisons. To address this, we propose PRISM (Precision Ranking for Improved Step Modeling), a policy-aware PRM training framework that learns from contrastive step-level comparisons and hard negatives generated by a temporal lookahead strategy, requiring no new human labels. We further use a difficulty-aware curriculum to optimize the contrastive step margin. Across PRMBench and ProcessBench, PRISM substantially reduces false positives (22% on PRMBench) and improves macro F1 over strong discriminative PRMs. When applied to policy optimization and search tasks, including guided decoding and Best-of-N selection, it consistently improves accuracy (up to 22% for guided decoding and 33% for Best-of-N) and robustness. More broadly, trustworthy process supervision is not just about assigning high rewards, but about rewarding the right reasoning for the right reasons.
Authors: Yan Wang, Qifan Zhang, Jiachen Yu, Tian Liang, Dongyang Ma, Xiang Hu, Zibo Lin, Chunyang Li, Zhichao Wang, Miao Peng, Nuo Chen, Jia Li, Yujiu Yang, Haitao Mi, Dong Yu
Abstract: Conventional LLMs keep the full KV cache loaded during decoding, causing a severe GPU memory bottleneck for ultra-long context serving. In this report, we propose Lookahead Sparse Attention (LSA), a novel inference paradigm powered by a Neural Memory Indexer built upon the DeepSeek-V4 architecture. Rather than passively attending to all historical tokens, LSA proactively predicts future context demands and preserves only the query-critical KV chunks in the GPU memory. Crucially, we instantiate this architecture via a backbone-free decoupled training strategy. By formulating the indexer as a standard dual-encoder architecture, we train it independently using standard retrieval training frameworks without ever loading the massive backbone model into GPU memory. We demonstrate that this "less is more" paradigm significantly maximizes serving efficiency while acting as an effective attention denoiser in tasks that rely on long-term global memory. Across primary long-context evaluation suites (e.g., LongBench-v2, LongMemEval, and RULER), FM-DS-V4 compresses the average physical KV cache footprint down to merely 13.5% of the full-context baseline, while consistently preserving or slightly elevating downstream accuracy (+0.6% absolute margin on average). Crucially, at extreme 500K scales, FlashMemory suppresses the physical KV cache overhead by over 90% without destabilizing the backbone's core reasoning capacities.
Authors: Haozhe Hu, Hao Wu, Anhao Zhao, Longwei Ding, Peiran Yin, Yunpu Ma, Xiaoyu Shen
Abstract: Pruning has emerged as a dominant paradigm for accelerating large language model (LLM) inference, spanning a broad spectrum of methods that remove computation across tokens, layers, heads, dimensions, and attention patterns. Despite sharing the same objective, these pruning approaches induce fundamentally different execution behaviors, causing realized speedups to depend heavily on hardware and kernel implementations. Consequently, the practical acceleration benefits of different pruning families remain poorly understood. In this work, we introduce a GEMM-centric taxonomy that reorganizes existing pruning methods according to the logical \textbf{M}, \textbf{N}, and \textbf{K} dimensions of general matrix multiplication (GEMM). Leveraging this abstraction, we build a unified benchmarking framework that enables implementation-consistent comparison across the pruning design space and systematically characterizes the acceleration--quality Pareto frontier. Our results show that static depth pruning remains the strongest Pareto-optimal baseline and stays closest to its theoretical acceleration upper bound in memory-bounded scenarios. During prefill, the frontier transitions from static depth at low quality loss (0\%--4\%), to dynamic depth at moderate loss (5\%--16\%), and finally to static width pruning at higher loss levels (17\%--26\%). These findings establish the first unified view of the practical limits of pruning-based LLM acceleration and provide guidance for future pruning research.\footnote{Code is available at https://github.com/EIT-NLP/LLM-Pruning/tree/main/PruningInferSim}
URLs: https://github.com/EIT-NLP/LLM-Pruning/tree/main/PruningInferSim
Authors: Dongze Hao, Zhiwei Jin, Chen Chen, Haonan Lu
Abstract: On-policy distillation (OPD) has recently emerged as an important post-training paradigm. By using a stronger teacher model to provide dense, fine-grained supervision for sampled trajectories, OPD offers a clear advantage over reinforcement learning with verifiable rewards (RLVR), which typically depends on sparse binary or outcome-based environmental feedback. However, naive token-level distillation can suffer from gradient instability, due to magnitude misalignment in outlier states. To address this issue, we propose Globally Normalized Distillation Policy Optimization (GNDPO), a practical method that stabilizes optimization by transforming raw KL scores into batch-level relative advantages. This normalization effectively mitigates gradient explosions while retaining the benefits of token-level guidance. Experimental results show that GNDPO substantially improves training robustness and downstream performance across multimodal reasoning tasks. The code is released at https://github.com/OPPO-Mente-Lab/GNDPO.
Authors: Jike Zhong, Yuxiang Lai, Ming Li, Yuheng Li, Wuao Liu, Behzad Dariush, Konstantinos Psounis, Shao-Yuan Lo
Abstract: Theory of Mind (ToM) is a must-acquire skill for modern foundation model systems to operate effectively and safely in the real world. Recent works have explored honing ToM via post-training; however, we show that such progress is confounded by a pervasive "shortcut" issue: tasks can reach up to 99% accuracy by simply exploiting spurious causal correlations, leading to a false sense of ToM. Motivated by this, we first develop a framework to systematically examine ToM datasets for shortcuts and provide guidance for future development. We find that questions reducible to pure state tracking, such as "belief," are especially shortcut-prone compared to mind questions, such as "intention," where reasoning beyond tracking is required. Using four shortcut-free datasets across three ToM contexts, we then comprehensively study whether Reinforcement Fine-Tuning with verifiable rewards and explicit reasoning chains, called Thinking-RFT, elevates ToM beyond Supervised Fine-Tuning, or SFT. Our key findings are as follows. First, Thinking-RFT effectively improves ToM in all scenarios, with a 6% improvement over SFT, particularly in complex higher-order reasoning, with a 10% improvement over SFT, and multimodal cases, with a 7% improvement over SFT. It also generalizes notably better to unseen domains and higher-order queries while being more robust to counterfactuals. Second, ToM benefits specifically from the joint effect of reasoning and RL: Thinking-RFT outperforms Non-Thinking-RFT by 7% on average. Third, RFT works by learning to ground its reasoning on anchor cues, such as keywords and state changes, that correspond to causal factors. We believe our study is useful for developing effective and robust ToM post-training datasets and advancing critical ToM capabilities.
Authors: Daniil Mikriukov (University of Liverpool, Xi'an Jiaotong-Liverpool University), Ruoyu Sun (Xi'an Jiaotong-Liverpool University), Angelos Stefanidis (Xi'an Jiaotong-Liverpool University), Jionglong Su (Xi'an Jiaotong-Liverpool University), Zhengyong Jiang (Xi'an Jiaotong-Liverpool University)
Abstract: Deep reinforcement learning (DRL) frameworks for portfolio optimization have shown promise for their ability to learn allocation rules dynamically from market data. However, these models fail to account for fat-tailed returns, which characterize actual market behavior with more frequent extreme events. Furthermore, historical data is treated homogeneously, without accounting for temporal importance, leading models to fail during regime changes. We propose a new BAVAR-BLED algorithm that combines methods derived from Bayesian-Averaging Vector Autoregressive (BAVAR) and the Black-Litterman model using Elliptical Distributions (BLED) within a TD3 architecture. BAVAR captures a set of vector autoregressive representations that consider multi-scale temporal features, enabling adaptive allocation decisions based on regime-aware estimates of return expectations and dispersion matrices. These estimates serve as prior inputs to BLED, a model that uses Student's t-distributions, allowing for more realistic fat tail return estimates. The BAVAR-BLED algorithm uses transformer networks for view construction and CNNs for risk-aversion estimates, which modify dynamic allocation decisions based on market conditions. An evaluation of 29 Dow Jones Industrial Average constituents over a decade-long market period shows that BAVAR-BLED significantly outperforms state-of-the-art methods, achieving Sharpe and Sortino ratios of 1.72 and 2.70, respectively, and total returns of 57.26%.
Authors: Chen-Rui Fan, Bo Lu, Xing-Yu Wu, Tie-Jun Wang, Chuan Wang
Abstract: The rapid evolution of artificial intelligence has led to substantial advances in deep neural networks. Nonetheless, conventional GPU-based training remains highly energy-demanding, motivating the exploration of physical dynamics and compatible energy-based learning schemes, such as equilibrium propagation (EP). EP-based training, however, frequently suffers from convergence to local minima due to phase-space contraction. Here we introduce an Ising-dynamics-inspired equilibrium-propagation framework in which dissipative Hopfield relaxation is replaced by an extended phase-space dynamics with conjugate variables. The resulting training paradigm keeps the local two-phase learning rule of EP while changing the physical route by which neural states reach equilibrium. We show that this dynamics lowers effective energy barriers, accelerates convergence, improves noise robustness, and trains deep convolutional Hopfield networks on MNIST, FashionMNIST, and CIFAR-10 with performance comparable to backpropagation.
Authors: Lena Krieger, Xuan Zhao, Zhuo Cao, Qin Wang, Hanno Scharr, Ira Assent
Abstract: Offline reinforcement learning (RL) offers a path to policy improvement from logged data alone, using historical returns or other measurable outcomes as world feedback. A key difficulty is improving observed behavior without extrapolating beyond what the offline data supports. We propose \emph{counterfactual transport flows}, a source-conditioned trajectory refinement framework for offline decision-making guided by world feedback. Given a low-feedback candidate trajectory, we construct local preference pairs from offline data by retrieving nearby trajectories in latent trajectory space with higher task-specific feedback, and use them as weak supervision for conservative refinement. The framework learns instance-specific refinement directions: at inference time, a refinement strength parameter controls how far the candidate trajectory is transported, enabling a trade-off between preserving the original behavior and applying stronger improvement. Experiments on D4RL benchmarks, including AntMaze and MuJoCo tasks, show that our method improves behavior from historical returns as world feedback, while providing interpretable trajectory-level refinement paths.
Authors: Chen-Rui Fan, Bo Lu, Zhi-Hong Zhang, Run-Qing Zhang, Jing-Wei Wen, Chuan Wang
Abstract: While Ising machines serve as advanced physical solvers for the Ising model,enabling applications in combinatorial optimization and neural network training,their scalability for large-scale neural networks remains constrained by hardware connectivity limitations and suboptimal training methodologies. In this work,we leverage a Coherent Ising Machine (CIM) to train an energy-based neural network using Equilibrium Propagation, achieving performance comparable to existing software-based implementations. We further enhance the algorithm by integrating the Adam optimizer to solve for the ground state of a Hopfield energy network, significantly improving convergence speed and solution accuracy. Additionally, we demonstrate the scalability of our approach across deeper network architectures and convolutional operations. Our results highlight the potential of CIM dynamics as a scalable platform for training complex neural networks, offering a pathway toward energy-efficient implementations via analog circuits, optoelectronics, or integrated photonics. This work establishes a novel physical framework for next-generation AI hardware development.
Authors: Daoyu Wang, Mingyue Cheng, Qingchuan Li, Shuo Yu, Jie Ouyang, Qi Liu
Abstract: Agentic reinforcement learning (RL) has become an important post-training paradigm for turning LLMs from static chatbots into interactive agents, giving rise to representative applications such as OpenClaw. Existing work mainly focuses on policy optimization algorithms and training frameworks, but pays less attention to the full data lifecycle of agent-environment interactions, from data production to training consumption. To bridge this gap, we present Claw-R1, an interactive step-level data middleware system for agentic RL. Claw-R1 connects heterogeneous agent runtimes with RL training backends through two core components: a Gateway Server and a Data Pool. The Gateway Server captures multi-turn interaction steps through a unified LLM API entry point, while the Data Pool organizes them into step-level records consisting of prompt IDs, response IDs, rewards and other metadata. In our demo, users can interactively inspect live trajectories, examine the state, action, and reward of each step, curate data by quality and readiness, and configure training-ready batches for different downstream RL algorithms. Overall, Claw-R1 treats agent interaction traces as managed data assets rather than temporary runtime logs. Through this demonstration, we hope to encourage the community to recognize the importance of data management in agentic RL. Our code is available at https://github.com/AgentR1/Claw-R1 and the demonstration video can be found at link https://youtu.be/Pw47dAOw6B0.
URLs: https://github.com/AgentR1/Claw-R1, https://youtu.be/Pw47dAOw6B0.
Authors: Yuki Takezawa, Anastasia Koloskova, Sebastian U. Stich
Abstract: Decentralized SGD is a fundamental algorithm in decentralized learning, although the influence of an underlying network topology on its convergence behavior is not yet fully understood. Existing convergence analyses have shown that topologies with a small spectral gap significantly deteriorate the convergence rate of Decentralized SGD in both homogeneous and heterogeneous cases. However, many prior papers have reported that indeed the choice of the topology has a significant experimental impact in the heterogeneous case, but has little experimental impact on training behavior in the homogeneous case. In this paper, we present a tighter convergence analysis of Decentralized SGD, offering a more precise understanding of how topologies affect the convergence rate than the prior analysis. Specifically, unlike existing convergence analyses that used only the spectral gap as a property of the topology, our novel analysis shows that all eigenvalues of the mixing matrix affect the convergence rate. Throughout the experiments, we carefully evaluated the convergence behavior of Decentralized SGD and demonstrated that our novel convergence analysis can more accurately describe the effect of topology on the convergence rate.
Authors: Prajwal Thapa, Yagya Raj Pandeya
Abstract: This paper presents a unified system designed to support precision agriculture by integrating advanced weather prediction, crop recommendation, and a question-answering tool for farmers. We propose two deep learning models -- a Transformer-based Graph Neural Network and a Spatio-Temporal Graph Convolutional Network (STGCN) -- to forecast weather conditions for the next 30 days using data from 1,359 locations in Nepal. The STGCN outperforms the Transformer-based model in accuracy (MSE ~0.011 vs. 0.013), effectively modeling both spatial and temporal dependencies in climate data. These predictions are combined with static soil properties such as pH, moisture, and organic content to generate localized crop recommendations through a scoring algorithm that matches each crop's optimal growing conditions. Additionally, we develop a Retrieval-Augmented Generation (RAG) chatbot that leverages domain-specific agricultural documents to answer farmers' questions in natural language. The entire system is deployed via a mobile application, offering real-time suggestions and conversational support. User feedback confirms the system's usability and relevance, especially in rural settings where personalized farming guidance is limited. Overall, our approach demonstrates how combining machine learning models with local agricultural data can empower farmers with actionable insights, promoting more informed decisions, better crop yields, and increased resilience to climate variability.
Authors: Zheshun Wu, Ziyang Zhang, Changyao Lin, Zenglin Xu, Jie Liu
Abstract: Recently, mobile edge computing (MEC)-enabled collaborative deep neural network (DNN) inference has emerged as a promising approach for delivering intelligent services to resource-constrained mobile devices. A representative scenario is multi-user collaborative edge inference, where distinct devices independently partition their DNN models and offload backend computation to a common edge server over wireless networks. However, determining the optimal DNN partition for each device is challenging due to unknown and time-varying system conditions, including fluctuating wireless links and diverse device capabilities. To address this problem, we propose Cooperative Autodidactic NeuroSurgeon (CANS), a collaborative edge inference framework that enables devices to adaptively learn optimal DNN partitions by sharing informative feedback during online inference. To handle the challenge of device heterogeneity and better leverage offline inference experience, we integrate a novel FedLinUCB-DW algorithm that groups devices of the same type and warm-starts online exploration using local offline early-exit inference experience. Furthermore, we provide theoretical guarantees for FedLinUCB-DW by deriving the regret upper bound. We also validate our method on both a simulated environment and a hardware prototype system. Empirical evaluations demonstrate that CANS achieves lower inference latency compared to state-of-the-art baselines. Especially, in prototype experiments on two edge devices, the proposed CANS reduced average inference latency by up to 50% compared to the non-cooperative baseline.
Authors: Joel Q. L. Chang
Abstract: We prove that $\rho\text{-}\mathrm{NPTS}_{\mathrm{SG}}$, an anchor-free nonparametric Thompson Sampling algorithm for risk-averse bandits, achieves regret matching the instance-dependent lower bound to leading order in $\log n$, establishing it as asymptotically optimal for any continuous risk functional $\rho$ (CVaR, mean-variance, Sharpe ratio, distortion risk measures, and more) on the class of distributions with bounded density and sub-Gaussian tails, including Gaussian arms. Both this result and its bounded-support counterpart require only continuity of $\rho$: strictly weaker than the dominance condition of prior parametric Thompson Sampling results, and strictly weaker than the Lipschitz condition of UCB-type algorithms, yielding the first instance-optimal guarantees for non-Lipschitz functionals such as the Sharpe ratio without parametric reward assumptions. The bounded-support case is developed first as a stepping stone sharing the same proof structure. The key technical contributions are a discretisation lemma (bounded support) and a truncated discretisation lemma (sub-Gaussian tails), each projecting the growing-alphabet Dirichlet posterior onto a fixed grid via the Dirichlet aggregation property, holding all polynomial prefactors at fixed degree independent of sample size and breaking the super-exponential barrier that blocked prior proofs.
Authors: Hyunseok Paeng
Abstract: We present a reproducible failure mode of safety training in RAG-based LLM recommendation -- the Injection Paradox -- in which prompt injections embedded in retrieved documents backfire against the attacker, suppressing the target brand below the injection-free baseline. In safety-trained Claude models, documents containing prompt injections suffer a sharp drop in recommendation rate, and this suppression propagates beyond the injected document to unmodified documents of the same brand. In Claude Opus 4.6, the target brand drops from a 54% baseline to zero top-2 recommendations across all 50 trials, even though only 1 of 4 brand documents in the corpus contains an injection. The directional pattern is reproduced in counterfactual experiments and across three brands. A contrasting result across the GPT models tested, where the same injection instead increases recommendations, suggests model-family differences in how injection-like context affects recommendation behavior. These findings raise the technical possibility of a reverse-attack scenario in which an adversary embeds injections in a competitor's documents to suppress the competitor's brand via safety-sensitive model behavior.
Authors: Matej Bevec, Ale\v{s} Erjavec, Vesna Tanko, Lena Trnovec, Lan \v{Z}agar, Ana Fari\v{c}, Janez Dem\v{s}ar, Bla\v{z} Zupan
Abstract: While visual programming of data analysis workflows has become an important vehicle for the democratization of data science, such systems remain largely confined to standalone applications and offer limited support for transitioning their visual analytics solutions into interactive web environments. As a result, data analysis pipelines are difficult to share, embed, and adapt into user-facing analytical tools. We present Orange Lab, a web-based collaborative environment for visual data analytics. At its core, Orange Lab enables users to visually construct machine learning workflows from modular components, where interactions in any component propagate seamlessly through the workflow, turning static pipelines into dynamic, reactive systems that support exploration and data-driven storytelling. Our key contribution is component exposition, a paradigm that allows authors to embed selected workflow components, or parts of their interfaces, into arbitrary web contexts, creating synchronized, interactive interfaces while hiding underlying workflow complexity. This enables the development of tailored analytical views and narrative-driven experiences that integrate data analysis directly into online materials. We demonstrate the approach through deployments in data literacy education, where embedded components guide students in hands-on exploration of machine learning concepts without requiring knowledge of the underlying system, showing that Orange Lab effectively lowers barriers to entry and supports the democratization of data science.
Authors: Al Zadid Sultan Bin Habib, Md Younus Ahamed, Prashnna Gyawali, Gianfranco Doretto, Donald A. Adjeroh
Abstract: High-Dimensional Low-Sample Size (HDLSS) tabular domains (e.g., omics) are characterized by $n \ll m$, where $n$ = number of samples, and $m$ = number of features. Such domains often exhibit strong local correlation groups, sparse cross-group dependencies, heavy-tailed non-Gaussian marginals, heteroscedastic noise, and structured missingness, making direct density learning in $\mathbb{R}^m$ ill-conditioned since $n \ll m$. We propose BSTabDiff, a block-subunit generative framework that partitions the $m$ observed features into $M$ latent blocks ($M \ll m$) and generates each block via a shared low-dimensional subunit variable, concentrating global dependence learning in the compact block-latent space $\mathbb{R}^M$ while decoding to the full feature space with copula-driven dependence, flexible per-feature marginals, and explicit missingness mechanisms. BSTabDiff supports modern deep priors on block latents, including diffusion and normalizing flows, enabling stable synthesis and controllable benchmark generation in the HDLSS regime. Empirically, BSTabDiff produces more realistic and stable high-dimensional synthetic data when compared with unstructured tabular generators on HDLSS data.
Authors: Paul Kahlmeyer, Henrik Voigt, Michael Habeck, Joachim Giesen
Abstract: Equation discovery aims to automate the discovery of scientific models in the form of mathematical equations from data. Technically, equation discovery is implemented by symbolic regression algorithms. Performance of symbolic regression for equation discovery is measured along two dimensions: Prediction accuracy on test data, and recovery of known groundtruth formulas. For standard regression, accuracy is typically measured on in-domain test data, for instance, by splitting a data set randomly into training and test data. While this makes sense for in-domain interpolation, which is the common goal in ordinary regression, it can be a misleading proxy for true model discovery and generalization. The obvious alternative is to measure out-of-domain accuracy. However, obtaining challenging out-of-domain test data is a non-trivial problem. Therefore, we focus on equation recovery for evaluating symbolic regression algorithms for equation discovery. The rationale is that symbolic regression algorithms that perform well in recovering known groundtruth formulas are good candidates to perform well in unknown equation discovery. Existing benchmarks for symbolic regression include equation recovery tasks, however, with only a small number of groundtruth formulas that are publicly known. Moreover, these benchmarks place less emphasis on evaluating the robustness of algorithms in terms of their behavior under changing dimensionality, sampling size, sampling distribution and sampling domain. This, however, is of central importance to practitioners wanting to discover equations for modeling natural phenomena, since data is almost certainly noisy and comes from diverse domains, distributions, and sample sizes. To fill this gap, we introduce the Equation Recovery Benchmark (ERBench), a new evaluation framework designed to rigorously assess algorithms explicitly targeting the task of equation discovery.
Authors: Rafael Cabral, Pang Zixi, Ziyi Shou, Shen Xin
Abstract: Large Language Models frequently hallucinate in precision-critical domains such as technical diagramming and mechanical design, where outputs must satisfy strict geometric constraints. We study open-ended geometric synthesis from natural language: translating free-form descriptions into precise constructions whose entities must simultaneously satisfy dozens of interacting constraints. To make this tractable, we release PyGeoX, a programmable geometric DSL that compiles declarative constraints into a differentiable loss, and PyGeoX-Bench, a stratified suite of 300 problems with per-constraint verifiable rewards. Using PyGeoX as a verifier, we identify a failure mode we call Outlier Gradient Masking: under global-norm rewards (any scheme that aggregates residuals through a single norm, for example, $\exp(-\mathrm{MSE})$), a single outlier constraint can nullify the learning signal across all others. To address this, we propose Saturating Additive Rewards (SAR), which decompose the reward into bounded per-constraint terms, preserving partial progress and ensuring consistent gradients even under severe violations. Against MSE-based rewards, the natural baseline for geometry solvers, SAR improves the hard-tier solving rate by $2.3\times$, and the resulting 8B model is competitive with much larger frontier systems on this benchmark. We release the engine, benchmark, and data at https://github.com/Huawei-AI4Math/PyGeoX.
Authors: Vishal Pandey, Gopal Singh
Abstract: Understanding how transformer representations evolve across layers, not merely what they encode, remains an open problem in mechanistic interpretability. We recast the transformer forward pass as a discrete population trajectory through a high-dimensional representation manifold, drawing on geometric tools from computational neuroscience. Rather than probing for pre-specified features, we characterize trajectory geometry using five metrics computed directly in the ambient space: trajectory length, curvature, a semantic convergence index, layerwise cosine similarity, and representational stability. Across three model families (GPT-2, TinyLlama, Qwen2.5) and five controlled prompt families, we report four findings. First, semantically related prompts converge significantly in middle-to-late layers (peak CI 0.41--0.58, p<0.001, Mann-Whitney U), consistent with attractor-like dynamics. Second, reasoning tasks produce trajectories of greater curvature than lexical variations (0.71--0.83 rad vs. 0.27--0.31 rad), suggesting curvature encodes computational complexity. Third, ambiguous tokens exhibit trajectory bifurcation with up to 5.6x representational separation by the final layer, absent in unambiguous controls. Fourth, layerwise cosine similarity reveals a universal three-phase structure: encoding, elaboration, and output preparation, consistent across all three architectures. All four effects vanish under shuffled-layer and random-embedding controls. We release a fully open-source, model-agnostic pipeline and argue that trajectory geometry constitutes a principled, probe-free lens for mechanistic interpretability.
Authors: Yuesen Li, Daniel Link
Abstract: Understanding tactical organisation of association football, hereafter referred to as football, requires identifying distinct match phases. Yet in-possession phases are rarely directly observable and are shaped by evolving tactical intentions, rather than spatial patterns alone. This study proposes a data-driven framework for identifying in-possession match phases from spatiotemporal tracking data. Seven German Bundesliga matches recorded at 25 Hz with TRACAB were analysed. A hierarchical phase model was defined with three tactical intentions (Invade Opponent Space, Keep Possession, Scoring) and six phases (Build Up, Progression, Counter Attack, Maintenance, Sustained Threat, Finishing). A Temporal Graph Attention Network (T-GAN) was developed to combine frame-level player-interaction graphs, contextual features, and Transformer-based temporal modelling. Performance was evaluated using frame-level F1 and a sequence-aware Intersection over Truth-Dominance (IoT-D) metric. T-GAN achieved macro-average frame-level F1 scores of 0.87 at the intention level, 0.76 for invasion-related phases, and 0.79 for scoring phases. At the sequence level, mean diagonal IoT-D F1 increased from 0.68 to 0.79 for intentions and from 0.61 to 0.71 for phases after post-processing, indicating improved temporal coherence. Model comparisons showed that sequence modelling was the main driver of segmentation quality, while graph-based relational modelling was particularly beneficial for Counter Attack recognition. Exploratory player attention analysis further suggested that wide and midfield positional groups contributed strongly to phase discrimination. Overall, the framework translates continuous tracking data into tactically interpretable in-possession phase representations, with potential applications in automated match annotation, tactical analysis, and playing-style profiling.
Authors: Zekai Chen, Miao Zhang, Jiayang Xing, Xunkai Li, Xun Wu, Rong-Hua Li, Guoren Wang
Abstract: Multimodal federated graph learning (MM-FGL) aims to collaboratively learn from decentralized graphs with text and images. However, real-world clients may not share a common modality basis: a visual-search client may contain image--interaction graphs but no seller descriptions, while a catalog client may provide text but no product images. We refer to this practical setting as client-level modality deficiency. Unlike random instance-wise missingness, a deficient client lacks the local semantic basis needed to reconstruct the absent modality. More importantly, in graph learning, incomplete representations initialize message passing, so imputation errors can be filtered, mixed, and amplified by the receiving topology. To address this gap, we propose \textbf{PRISM} (\textbf{P}roactive \textbf{R}etrieval and \textbf{I}mputation via \textbf{S}tructural \textbf{M}eta-prompting), a topology-aware federated cross-modal imputation framework. Rather than reconstructing the missing modality solely from local observations, PRISM recovers missing-modality semantics from the federation and introduces them into local graph propagation under topology-aware control. Experiments on six multimodal graph datasets across graph-centric and modality-centric tasks show that PRISM consistently improves modality-deficient clients, outperforming state-of-the-art baselines by \textbf{4.48}\% on average.
Authors: Haolin Pan, Lianghong Huang, Xvlin Zhou, Mingjie Xing, Yanjun Wu
Abstract: Tensor program optimization is essential for modern machine learning systems, but its search space is enormous. Existing auto-schedulers reduce measurement cost with learned cost models, yet they usually evaluate each candidate as a static code snapshot, ignoring the schedule trajectory that produced it. This makes them insensitive to action dependencies and vulnerable to superficial code variations. We propose a \emph{world-model-inspired} evaluator that models schedule evaluation as action-conditioned latent dynamics over program states. Starting from the initial program, it rolls out scheduling actions in a continuous latent space with a lightweight transition model, avoiding expensive AST mutation and repeated code encoding. The final dynamic representation is combined with action and hardware features to rank candidates. Implemented in TVM AutoScheduler, our method improves representative-subgraph latency over Ansor by 1.37$\times$ on GPU and 1.54$\times$ on CPU under the same 64-trial budget. It also matches Ansor-10K within 2.2% geometric mean using 10$\times$ fewer measurements, and accelerates full-model inference over PyTorch/PyTorch-opt(cuDNN) by 4.61$\times$/3.67$\times$ geometric mean.
Authors: Nugzar Gognadze, Motonobu Kanagawa, Yu Someya, Hisashi Yashiro
Abstract: Retrieval algorithms are used to estimate atmospheric concentrations of greenhouse gases (GHGs), such as carbon dioxide (CO2) and methane (CH4), by solving inverse problems from high-spectral-resolution satellite radiance measurements. However, these algorithms are computationally expensive, which makes real-time estimation at scale difficult. Machine-learning models have therefore been proposed as fast emulators of retrieval algorithms. Most existing studies, however, evaluate them only on test data from the same period as the training data. We study the stability over time of such emulators using data from the Greenhouse Gases Observing SATellite (GOSAT). We show that prediction accuracy generally deteriorates when the test period moves away from the training period. We also show that including time as an input feature substantially improves XCH4 prediction for Lasso and neural-network models. Among the methods considered, a simple Lasso model performs as well as or better than more complex methods such as neural networks, and yields more stable predictions over time. We further validate the results using the Total Carbon Column Observing Network (TCCON), a ground-based observation network. On the TCCON-matched dataset, the time-augmented Lasso achieves errors against TCCON that are comparable to the disagreement between GOSAT and TCCON for both XCO2 and XCH4.
Authors: Weiran Yang, Daniel Memmert, Maximilian Klemp-Weins
Abstract: Football event data constitute a rich spatiotemporal source for quantitative analysis of player actions in team sports. These datasets contain heterogeneous features, combining continuous location coordinates with categorical variables such as action type, action outcome, and body part. Such data have been applied in sports analytics for match outcome forecasting, player evaluation, and tactical pattern recognition. However, existing approaches predominantly encode categorical features using one-hot or ordinal embedding representations, overlooking the intrinsic semantics of action descriptors. The Transformer is a deep neural network architecture based on self-attention that captures dependencies between input features at arbitrary positions. We propose and implement a Transformer-based model to learn latent dependencies among categorical event features and produce dense representations of football events. By encoding categorical features as learned embedding vectors, sport-specific action semantics are captured during pretraining, enabling the representations to support downstream tasks such as action value estimation and play style recognition. Empirical evaluation shows that the embedding representations yield superior probability calibration over task-specific baselines on the downstream prediction tasks, as measured by Brier score.
Authors: Meher Chaitanya, Sebastian Dalleiger, Luana Ruiz
Abstract: Local Hyper-Flow Diffusion (HFD) gives an edge-size-independent Cheeger-type guarantee for seeded clustering in general submodular hypergraphs, but existing HFD solvers do not keep intermediate computation local at every iteration. We introduce Thresholded Local HFD (TL-HFD), a first-order method that maintains an active region around the seeds, performs projected subgradient updates on that region and its immediate boundary, and expands via thresholded (top-k) boundary activation. We prove that the local update is exact: the degree-preconditioned projected subgradient step restricted to the active region and its boundary coincides with the unrestricted global update. We establish finite-time dual suboptimality for both exact and thresholded updates, treating the latter as inexact projected subgradient steps with explicit skipped-boundary error. We further derive an additive activated-volume bound controlled by realized local subgradient norms and the minimum boundary-push among newly activated vertices, and translate approximate dual optimality with localized support into a robust sweep-cut guarantee for early-stopped iterates. For general submodular cut-costs, each iteration is local in the scanned region and oracle-sensitive in the hyperedge primitive. Empirically, TL-HFD often matches or improves over HFD while activating less volume, with the largest gains on noisy instances where diffusion tends to absorb non-target vertices.
Authors: Yang Tian, Rui Wang, Xumeng Wen, Junjie Li, Shizhao Sun, Lei Song, Jiang Bian, Bo Zhao
Abstract: Long-horizon agentic tasks pose a fundamental credit assignment challenge for outcome-base reinforcement learning: trajectory-level rewards verify final correctness but provide limited guidance on which intermediate reasoning steps or tool interactions contribute to the outcome. The difficulty is especially pronounced in multi-turn search agents, where successful trajectories may contain misleading actions and failed trajectories may contain valuable evidence-gathering steps. We propose PBSD (Privileged Bayesian Self-Distillation), a Bayes-calibrated self-distillation method for fine-grained credit assignment under sparse final rewards. PBSD measures trajectory quality through the posterior-to-prior probability ratio of the verified answer and applies Bayes' rule to convert this hard-to-estimate answer-side ratio into a tractable likelihood ratio between a standard student model and a privileged answer-conditioned teacher model. Autoregressive decomposition of this Bayesian evidence score yields turn-level signals that identify whether each intermediate turn supports or undermines the verified outcome. Consequently, PBSD provides a principled and elegant reweighting scheme that transforms sparse outcome supervision into Bayes-calibrated turn-level credit signals, while remaining fully compatible with standard policy optimization. Experiments demonstrate that PBSD consistently enhances performance across both in-domain and out-of-domain settings, and effectively transfers knowledge from short-context training to long-context inference, suggesting that its fine-grained credit assignment mechanism facilitates more effective policy learning and yields improved generalization.
Authors: Sergei Vorobyov, Eugene Ilyushin
Abstract: Formal neural network verification -- proving that a network satisfies safety properties for *all* inputs in a specified domain -- is bounded in practice by GPU memory: standard implementations of bound-propagation algorithms (IBP, CROWN, $\alpha$-CROWN) require weight and relaxation-coefficient matrices to reside entirely on one accelerator. We adapt two parallelism techniques originally developed for large-scale model training to the auto_LiRPA / $\alpha,\beta$-CROWN verification framework. Tensor Parallelism (TP) shards both weight and $A$-matrices across GPUs, achieving ${\approx}2\times$ peak-memory reduction at $P{=}2$; soundness is confirmed on VNN-COMP 2022 MNIST-FC benchmarks, though bound tightness degrades with the number of sharded zones due to forced IBP substitution for intermediate bounds inside sharded zones. Fully Sharded Data Parallelism (FSDP) shards only weight matrices with a per-layer AllGather, producing bounds that are bitwise identical to the single-GPU baseline: baseline memory drops by 80--90%, peak memory by 34--39% on wide MLPs. FSDP integrates cleanly with complete verification ($\beta$-CROWN + Branch-and-Bound) and with convolutional layers (BoundConv); a complete unsat result is obtained for CIFAR-100 ResNet-large (VNN-COMP 2024) under FSDP. Across all experiments the memory bottleneck in $\alpha$-CROWN+BaB mode proves to be per-neuron alpha tensors, not weight matrices, pointing to the key direction for future work.
Authors: Han Zhou, Adam X. Yang, Laurence Aitchison, Anna Korhonen, Albert Q. Jiang
Abstract: Reinforcement learning with verifiable rewards (RLVR) has become a leading paradigm for improving the reasoning ability of large language models through outcome-based supervision. However, verifiable rewards frequently become uninformative at the group level: when all sampled traces of a given prompt receive identical rewards, group-relative advantage estimation provides no gradient signal, even though the traces may differ substantially in reasoning quality. We propose Reasoning Arena, an adaptive training framework that routes such non-diverse reward groups to a judge system instead of discarding them. Beyond examining the final answer, Reasoning Arena constructs trace tournaments, where reasoning traces are compared head-to-head to expose finer-grained preferences within the group, converting reasoning quality into rich relative reward signals. To make reward estimation efficient, rather than exhaustively comparing every pair, each new trace is evaluated against a small, dynamically updated pool of previously generated traces as anchors to efficiently establish a relative ranking. We then fit a Bradley-Terry model on the incomplete comparison graph, enabling scalable RL integration without quadratic pairwise comparisons. Empirical results demonstrate that Reasoning Arena consistently outperforms the RLVR baseline by 7.6% on average in competition mathematics and coding benchmarks. By converting otherwise wasted zero-advantage samples into useful gradient updates, our method accelerates training by 27% to 41%, saving nearly 50% of generation compute, and substantially improves overall reasoning performance.
Authors: Motasem Alfarra, Cristina Pinneri, Dana Kianfar, Mohammed Almousa, Christos Louizos
Abstract: Deploying safe large language models (LLMs) on resource-constrained edge devices presents a critical challenge: while dual-model systems combining LLMs with guard models provide effective safety guarantees, their substantial memory and computational demands make them prohibitively expensive for on-device deployment. This paper presents a comprehensive study of parameter-efficient safety alignment methods for resource-constrained settings. Through systematic evaluation across multiple LLM architectures, training objectives, and parameter-efficient fine-tuning approaches, we identify that soft prompts combined with distillation-based training consistently outperform alternative methods. We introduce distillation frameworks based on total variation and KL divergence that effectively transfer safety behaviors from guard models into learned soft prompts. Our evaluations on various benchmarks demonstrate that this combination achieves superior safety-usefulness trade-offs compared to LoRA adapters, steering vectors, and direct optimization methods, while requiring minimal additional memory and compute at inference time. These findings establish soft prompt distillation as the preferred approach for safety alignment in on-device LLM deployment.
Authors: Bart{\l}omiej Marek, Lorenzo Rossi, Vincent Hanke, Xun Wang, Michael Backes, Franziska Boenisch, Adam Dziedzic
Abstract: Recent work has applied differential privacy (DP) to adapt large language models (LLMs) for sensitive applications, offering theoretical guarantees. However, its practical effectiveness remains unclear, partly due to LLM pretraining, where overlaps and interdependencies with adaptation data can undermine privacy despite DP efforts. To analyze this issue in practice, we investigate privacy risks under DP adaptations in LLMs using state-of-the-art attacks such as robust membership inference and canary data extraction. We benchmark these risks by systematically varying the adaptation data distribution, from exact overlaps with pretraining data, through in-distribution (IID) cases, to entirely out-of-distribution (OOD) examples. Additionally, we evaluate how different adaptation methods and different privacy regimes impact the vulnerability. Our results show that distribution shifts strongly influence privacy vulnerability: the closer the adaptation data is to the pretraining distribution, the higher the practical privacy risk at the same theoretical guarantee, even without direct data overlap. We find that parameter-efficient fine-tuning methods, such as LoRA, achieve the highest empirical privacy protection for OOD data. Our benchmark identifies key factors for achieving practical privacy in DP LLM adaptation, providing actionable insights for deploying customized models in sensitive settings. Looking forward, we propose a structured framework for holistic privacy assessment beyond adaptation privacy, to identify and evaluate risks across the full pretrain-adapt pipeline of LLMs.
Authors: Mingqi Yuan, Xiaoquan Sun, Shihao Luo, Jiayu Chen
Abstract: Online task-free continual learning (TFCL) requires intelligent agents to sequentially accumulate knowledge from an unbounded, non-stationary data stream under strict single-pass constraints and without any explicit task identifiers. Existing online TFCL paradigms primarily rely on parameter-efficient prompt tuning or dynamic structure expansion driven by training-coupled optimization dynamics, such as empirical loss fluctuations or evolving latent distances. As a result, these training-coupled solvers remain agnostic to the structural origins of distribution drift, mechanically enforcing a fixed strategy across fundamentally distinct streaming variations. To address this gap, we propose LargeMonitor, a framework that leverages large pretrained foundation models to autonomously orchestrate task-free continuous adaptation. Specifically, LargeMonitor introduces a decoupled detection module utilizing the frozen, stable representation space of large vision models (LVMs) to achieve robust, zero-shot drift detection without training-dependent interference or brittle threshold tuning. Upon a confirmed drift, the framework activates a context-aware diagnostic module driven by large multimodal models (LMMs) to interpret the precise semantic etiologies of the stream variation (e.g., novel class emergence vs. environmental domain shift). This dual-stage capability empowers the continuous learner to dynamically deploy adaptive and shift-specific optimization strategies. Extensive experiments across multiple TFCL settings and benchmarks demonstrate that LargeMonitor achieves precise, robust detection and diagnosis of complex data streams while consistently improving the performance of existing online TFCL algorithms.
Authors: Karn Tiwari, Niladri Dutta, N M Anoop Krishnan, Prathosh A P
Abstract: Modeling interacting dynamical systems requires capturing spatial interactions alongside long-range temporal dependencies. Graph neural networks (GNNs) provide a natural representation but typically rely on autoregressive rollouts and treat spatial and temporal dynamics separately, leading to error accumulation over long horizons. Existing approaches also focus on local interactions and short temporal contexts, limiting their ability to capture multi-hop dependencies and global structure. We introduce the Graph Mamba Operator (GraMO), a latent-space simulator that integrates state-space models with graph-based interaction learning. In contrast to prior work that sequences nodes or applies spatial and temporal updates in separate stages, GraMO couples graph-based interactions and temporal state updates within a single recurrence. The update is linear in the latent state, with input-dependent coefficients that adapt across regimes. We evaluate GraMO on N-body systems, motion capture, and robotics datasets, achieving the lowest error across benchmarks and the largest gains in long-horizon prediction.
Authors: Li Zeng, Xiaoliang Wan, Yaobin Wang, Fabio Nobile, Tao Zhou
Abstract: The Fokker-Planck equation (FPE) plays a pivotal role in describing the time evolution of probability density functions (PDFs) for systems governed by stochastic dynamics. In this work, we propose a conditional normalizing flow-based physics-informed neural network (PINN) framework for efficiently approximating the solution operator of the FPE for a whole range of initial conditions. Leveraging the Chapman-Kolmogorov equation for Markovian stochastic processes, the problem is reformulated into approximating a transition PDF starting at initial time from a Dirac mass centered at an arbitrary point. The PDF of an associated linearized stochastic differential equation (SDE) is employed as the base distribution for the normalizing flow, providing a good approximation of the target PDF, especially for small times, and thereby avoiding the singularity of the map associated with the Dirac delta initial distribution. Furthermore, a time-weighted loss function is introduced to mitigate numerical instabilities arising at small times, achieving a balance between causality and training difficulty as time progresses. A variety of numerical experiments are presented to illustrate the effectiveness and robustness of the proposed method.
Authors: Yifan Niu, Han Xiao, Dongyi Liu, Zelong Wang, Dihong Gong, Yasheng Wang, Jia Li
Abstract: On-Policy Distillation (OPD) has become a core technique in the post-training of Large Language Models (LLMs) for transferring knowledge from domain experts to student models. However, existing OPD distillation methods require teacher and student models to share the same tokenizer, restricting the applicability of OPD within the model series. Current mainstream practice typically employs Supervised Fine-Tuning (SFT) on teacher-generated responses for cross-tokenizer distillation, which fails to capture the rich knowledge embedded in the teacher's probability distribution. In this work, we enable the standard on-policy distillation method to operate across model families, ensuring that high-fidelity token-level signals can propagate across different tokenizers with a precise token-mapping algorithm. Extensive experiments show that cross-tokenizer OPD is significantly more compute-efficient than baselines on various benchmarks. Our results unlock a broader range of teacher-student pairs for OPD, opening up new avenues for adapting and enhancing interactions between LLMs.
Authors: Haoran Xin, Anhao Zhao, Ying Sun, Jin Li, Xiaoyu Shen, Hui Xiong
Abstract: On-policy distillation (OPD) provides dense token-level supervision by asking a teacher to score student-generated rollouts. However, when the student drifts into an unrecoverable prefix, the teacher may locally agree with the degraded state, producing low reverse KL but little corrective training signal. We identify this persistent regime as a low-KL agreement trap. Further analyses show that tokens during and after such traps produce less useful supervision signals. We propose KAT (KL Agreement Trap Termination), an online OPD termination rule that detects persistent low-KL agreement with a dynamic training-adaptive threshold. By filtering weak supervision from degenerate agreement, KAT improves avg@k accuracy by 2.66% and pass@k by 3.43% across four mathematical benchmarks, while reducing average rollout length by 59.73%.
Authors: Limin Yu
Abstract: Molecular systems involve interactions across multiple spatial scales, from local coordination and short-range perturbations to long-range electrostatic and solvent-mediated effects. However, most molecular representation learning methods rely on manually predefined scales, and the task-optimal modeling scale may not coincide with these fixed levels. This study introduces a loss-guided adaptive scale refinement framework for molecular force prediction, treating predefined scales as initial anchors and discovering task-effective resolutions through interpolation, routing, differentiable scale updates, and scale pool refinement. Using a NaCl aqueous ionic system as a minimal testbed, this study constructs short-scale and long-range force prediction branches and analyzes their complementarity. Oracle hard routing reduces the overall force MAE from 399.65 to 382.67, while continuous oracle interpolation further reduces it to 380.96. In close-contact regimes with nearest-ion distance below 0.6 nm, the close-contact MAE decreases from 327.22 to 260.51. A minimal scale pool update experiment shows that starting from endpoint anchors {0,1}, loss-guided updates automatically generate intermediate scales and recover most of the continuous oracle performance. The final updated scale pool {0,0.125,0.25,0.375,0.5,0.75,1} achieves an overall MAE of 381.23. These results support adaptive scale refinement as a promising direction for molecular representation learning, especially when fixed-scale modeling is insufficient.
Authors: Yuhua Zhou, Shaoqi Yu, Shichao Weng, Changhai Zhou, Mingze Yin, Fei Yang, Aimin Pan
Abstract: Large language models (LLMs) incur high inference cost due to their depth and parameter scale. Depth pruning can reduce latency by skipping redundant Transformer blocks, but existing methods (i) provide limited control under user-specific compute budgets and (ii) typically fix the routing path, failing to adapt as the context grows during decoding. We propose Buddy, a budget-driven dynamic depth routing framework. Buddy uses a lightweight Decision Module to score intermediate layers conditioned on the input and deterministically executes the top-k layers to satisfy a given budget. To support decode-time adaptation, Buddy reuses the first-layer KV cache as a low-overhead global context source and pools it together with the newest token representation before each routing decision. When no explicit budget is provided, an optional Budget Predictor estimates an input-dependent compute level to balance quality and efficiency. Experiments on Llama-family and Qwen models show that Buddy is competitive with strong static pruning baselines and often improves the accuracy-compute trade-off, while uniquely supporting strict budget control, decode-time rerouting, and multiple budgets within a single trained model.
Authors: Jan Niklas Lettner, Hadeer El Ashhab, Benjamin Sch\"afer
Abstract: As renewable energy integration increases market volatility, probabilistic electricity price forecasting has become essential for effective risk management. However, current-proper-scoring rules often prioritize forecast sharpness at the expense of calibration, leading to overconfident and statistically unreliable uncertainty estimates. This work highlights the critical gap between theoretical scoring and practical calibration, demonstrating that models can become mere proxies for deterministic forecasts when reliability is neglected. We conclude that future research must shift toward calibration-aware objectives and architectures to ensure the distributional integrity of energy market forecasts.
Authors: Soban Nasir Lone, Mohamed Abouelela, Taeyoung Yu, Jiwon Kim, Constantinos Antoniou
Abstract: Spatio-temporal graph neural networks (STGNNs) have become the dominant approach for traffic prediction, yet their computational requirements pose challenges for practical deployment in intelligent transportation systems (ITS). While recent work has proposed efficient alternatives to STGNNs, a fundamental question remains unexplored: are these architectures themselves over-parameterised? We examine this question using the Spatio-Temporal Graph Convolutional Network (STGCN), one of the most widely adopted models in this domain. Through systematic experiments across four diverse traffic datasets, we compare 1-block, 2-block (standard), and 3-block STGCN variants. Our findings reveal that the single-block architecture achieves optimal performance for short-term prediction (10 mins) on three of four datasets, while incurring only marginal degradation ($\leq$1.8% relative error) at longer horizons. Crucially, the 2-block variant incurs 61% higher CPU inference latency and 37% lower throughput relative to 1-block -- substantial overhead for resource-constrained ITS deployment. The 3-block architecture offers no favourable tradeoff, more than doubling computational cost for $<$0.5% relative improvement. These results suggest that the default 2-block STGCN may be over-parameterised for many applications, with implications for both practitioners deploying traffic prediction systems and researchers benchmarking efficiency-focused methods.
Authors: Shixiong Jiang, Taozheng Zhu, Fanxin Kong
Abstract: Offline safe reinforcement learning (Safe RL) enables policy learning without online interactions, making it suitable for safety-critical systems such as robotics systems. However, its reliance on static datasets exposes offline Safe RL to data poisoning attacks, where adversaries inject malicious samples that compromise safety and induce unsafe policy behavior. In this work, we propose a new learning paradigm, named safe reinforcement unlearning (Safe-RULE), used as a defense framework to remove the influence of poisoned data without retraining from scratch or requiring access to the original training environment. We further extend reinforcement unlearning to offline Safe RL by explicitly accounting for both task performance and safety constraints during the unlearning process. Experiments across benchmark Safe RL tasks demonstrate that our approach effectively enhances safety performance against data poisoning attacks.
Authors: Bogdan Kulynych, Antti Honkela
Abstract: Recent work argues for using Gaussian differential privacy (GDP) to report the privacy guarantees in privacy-preserving machine learning. We provide principled mappings from pure-DP $\varepsilon$ to GDP $\mu$ by matching the worst-case success of a strong-adversary membership inference attack in terms of three metrics: multiplicative advantage at fixed FPR, precision at fixed recall, and the standard privacy profile. We tabulate $\mu$ values across a useful range of parameters and recommend $\mu \approx \varepsilon/5$ as a conservative general-purpose conversion.
Authors: Berker Demirel, Valentino Maiorca, Marco Fumero, Theofanis Karaletsos, Francesco Locatello
Abstract: Conditional generators provide a natural tool for controllable generation, including settings where the desired condition is a new composition of observed attributes or experimental factors. In many applications, especially in scientific domains, such models are attractive to explore conditions for which real samples are rare, expensive, or not yet observed. However, this creates a circularity for evaluation: standard conditional quality metrics require a reference target distribution, but in the extrapolative regime that distribution is unavailable by definition. We address this problem with a post-hoc, per-sample trust score for assessing conditional samples using only the training distribution. The score combines two estimable quantities: global realism, measuring compatibility with the real data manifold, and attribute-wise faithfulness, measuring whether a sample is closer to the requested attributes than to plausible alternatives. We show that the score can recover meaningful comparisons across extrapolated generations, under a mild coverage condition on the observed attributes. These comparisons enable effective filtering, ranking, and abstention of generations and can be used directly on off-the-shelf pretrained models. In biological imaging, selected samples preserve real morphological structure better and improve downstream predictive performance, while similar gains are observed on controlled vision benchmarks. Finally, we show how the score can be applied during generation, enabling abstention before full decoding. Code is available at https://github.com/berkerdemirel/faithful-cond-gen.
Authors: Yongzhong Xu
Abstract: Interpretability increasingly treats groups of components, not individual units, as the basic object, and proposes to find them by clustering co-activation statistics. We ask whether such a cheap signal actually identifies an attention-head circuit. Adapting a sparse-autoencoder clustering recipe to attention heads -- but validating by causal ablation rather than reconstruction -- we cluster heads and then run a closure test: ablate the discovered community and compare per-example damage to matched-random controls. Across two dense 1B-scale models (Pythia 1B, OLMo 1B) and two input distributions, the communities pass closure. In a Mixture-of-Experts model (OLMoE-1B-7B), route-conditional clustering recovers a statistically real signal that nonetheless does not survive closure -- ablation improves loss, the wrong direction. Extending closure across training, attention-target selectivity and participation ratio decouple from function in both directions. We conclude that a cheap signal is a circuit proposal, not a confirmed circuit; closure is what separates them.
Authors: Maja Lindstr\"om, Natalija Glisovic, Jan von Pichowski, Tommy L\"ofstedt, Martin Rosvall
Abstract: When running marketing campaigns, retailers must decide which products to promote and which users to target. These decisions are inherently coupled: effective campaigns match users and items with strong mutual affinity into non-overlapping groups of predefined sizes. However, existing approaches assume predefined campaign structure or decouple item selection from user assignment, and cannot discover campaign groupings directly from joint interaction patterns. We therefore formalize this campaign problem as auto-targeting: jointly selecting users and items to construct multiple disjoint campaigns. To solve this combinatorial problem, we propose three complementary strategies: (i) constrained spectral biclustering to find dense regions in the user-item affinity matrix, (ii) greedy local search with pairwise swaps for combinatorial refinement, and (iii) a multi-armed bandit framework to escape local optima through exploration. We evaluate these methods on a synthetic dataset, the Amazon Reviews benchmarks, and large-scale proprietary commercial data, and compare the results to simulated annealing as a baseline. The results show that biclustering consistently achieves the highest campaign quality, lift, and fairness scores. While biclustering runs efficiently on smaller datasets, its runtime increases substantially on very large ones, where bandit-based methods instead offer a scalable alternative.
Authors: Siyu Lou, Hao Xu, Wenguan Wang, Lu Lu, Hao Sun, Yang Liu, Linfeng Zhang, Dongxiao Zhang, Yuntian Chen
Abstract: Differential equations play a critical role in scientific discovery because they provide a mathematical framework to describe the behaviour of physical phenomena. As a promising alternative to traditional first principles, data-driven differential equation discovery has attracted increasing attention for its ability to infer governing laws directly from experimental or simulated data, especially when the underlying physics is unclear. However, the field has expanded rapidly along diverse methodological directions, particularly with the emergence of AI-based approaches, and still lacks a clear organizing perspective. In this Review, we propose a problem-oriented perspective on data-driven differential equation discovery. We first introduce a two-dimensional phase diagram of equation discoverability, where discovery problems are organized according to structural complexity and coefficient complexity. This phase diagram shows how the field has moved from the discovery of sparse equations with simple coefficients toward more complex governing laws with richer structures and more flexible parameterizations. It also clarifies why different methodological families succeed or fail in different problem settings. We then present the representation-evaluation-optimization (REO) framework as a fundamental abstraction of the discovery process. By identifying the core problems of equation discovery that persist across algorithmic variations, REO shifts the discussion from individual algorithms to the fundamental principles that determine discoverability. We connect these perspectives to applications across physics and adjacent sciences, and argue that the next challenge is not merely recovering equations, but using them to revise existing theories, distil mechanisms and form new scientific concepts.
Authors: Gr\'egoire Dhimo\"ila, Victor Boutin, Agustin Martin Picard, Thomas Fel, Thomas Serre
Abstract: Learned representations across models and modalities often exhibit striking structural similarities, suggesting shared underlying concept decompositions. However, concept alignment remains poorly defined: existing approaches optimize different objectives under the same terminology, obscuring what is actually aligned. We propose a unifying framework that decomposes alignment along two axes: what is aligned (representations vs. concepts) and at what level (instance-wise vs. distributional). This induces four corresponding properties -- instance-wise and distributional variants of translation and concept consistency -- and reveals precisely which of these guarantees existing methods provide. We further introduce \InterVenchA, an intervention-based benchmark that separately measures extraction quality, translation quality, and concept consistency. Through theory and experiments, we show that commonly assumed equivalences between alignment objectives fail in practice: optimizing one property does not reliably recover the others, and purely unsupervised objectives fail to recover meaningful instance-level alignment. We then propose the Coupled Sparse Autoencoder (CoSAE), which jointly enforces complementary alignment objectives. Strong alignment emerges only in this regime. Surprisingly, as little as 0.1\% paired data is sufficient to recover instance-level alignment when anchoring distributional objectives. Overall, our results show that concept alignment is fundamentally multi-objective: it must be defined, measured, and optimized as such.
Authors: Tianyu Ruan, Fengzhuo Zhang, Shuche Wang, Shihua Zhang
Abstract: Muon has recently emerged as a state-of-the-art optimizer for pretraining Large Language Models (LLMs) and vision classifiers. Despite its efficiency advantage over Adam and SGD, the feature-learning advantage of Muon remains unclear. This paper investigates Muon's feature-learning advantage through the lens of robustness and transferability. First, by evaluating pretrained models on corrupted images and texts, we show that features learned by Muon are consistently more robust than those learned by Adam and SGD across different architectures, including transformers and Convolutional Neural Networks (CNNs). Using trained layer-wise probes, we further show that this robustness advantage is reflected in larger logit margins across layers. Second, by training linear classifiers or fine-tuning full models from pretrained parameters on downstream tasks, we demonstrate that Muon-learned features transfer more effectively than those learned by Adam and SGD. This transferability advantage is further supported by the diversity of hidden states across layers, as measured by effective rank. Finally, in a representative classification problem with multi-component features, we prove that Muon attains larger margins and higher effective rank than Adam and SGD, providing theoretical support for our empirical findings.
Authors: Tuan A. Vu, Harri L\"ahdesm\"aki, Julien Martinelli
Abstract: Bayesian optimization (BO) is a central tool for sample-efficient design, and latent-space Bayesian optimization (LSBO) extends it to structured objects such as molecules and proteins. In parallel, tabular foundation models such as TabPFN and TabICL now achieve state-of-the-art regression performance and are increasingly used as BO surrogates. Because their Bayesian behavior is induced by large synthetic pretraining collections, the composition of this pretraining distribution is crucial. LSBO creates a distinctive mismatch: the induced map from latent code to objective value differs markedly from the regression tasks used to train current in-context models. We address this mismatch by complementing the pretraining stage of tabular foundation model surrogates with synthetic optimization tasks defined on the latent space of a molecular VAE. The continued-pretraining objective features a regularizer that anchors the model to the original checkpoint, preserving its broad regression prior while avoiding overspecialization to the adaptation tasks. On held-out molecular optimization benchmarks, the resulting model achieves strong performance, supporting the relevance of LSBO-specific adaptation for in-context surrogates.
Authors: Seoungbin Bae, Dabeen Lee
Abstract: Contextual queueing bandits provide a framework for learning to schedule heterogeneous jobs under unknown context-dependent service rates. Under stochastic contexts, existing algorithms achieve $\widetilde{\mathcal{O}}(T^{-1/4})$ queue length regret, defined as the expected difference between the learner's and oracle's queue lengths at horizon $T$. In this paper, we improve this rate to $\widetilde{\mathcal{O}}(T^{-1/2})$. The key observation is that random exploration is needed only up to a carefully chosen cutoff round, rather than throughout the entire horizon. We propose CQB-$\eta$-2, a three-phase algorithm: (i) pure random exploration to construct an initial estimator, (ii) $\eta$-random exploration combined with a UCB rule to continue learning while maintaining negative drift, and (iii) pure UCB after the exploration cutoff. Our proof decomposes the queue length regret at the cutoff round. Before the cutoff, negative drift suppresses queue length differences caused by suboptimal choices. After the cutoff, the first two phases provide sufficient random exploration samples, ensuring that UCB decisions incur small departure-rate gaps. Combining these two bounds yields queue length regret of order $\widetilde{\mathcal{O}}(T^{-1/2})$. We further prove a minimax lower bound of order $\Omega(T^{-1/2})$. The proof constructs two hard instances that are statistically indistinguishable up to the final service decision, and uses a queue-specific coupling argument to convert the resulting testing error into queue length regret. Together, our upper and lower bounds characterize the minimax dependence on the horizon $T$ up to logarithmic factors.
Authors: Yinyu Huang, Yilin Zhang, Sofia Michopoulou, Christopher Kipps, Rahman Attar
Abstract: Alzheimer's disease (AD) progression is highly heterogeneous and is typically observed through sparse and irregular longitudinal data, posing challenges for prediction and personalised monitoring. Existing machine learning approaches have improved AD prediction using multimodal data, yet often focus on static classification or cohort-level risk estimation, providing limited support for subject-specific modelling and uncertainty-aware reasoning. To address these limitations, we present a personalised digital twin framework for AD prediction and scenario-based analysis using multimodal longitudinal data. The proposed approach integrates complementary modelling strategies to capture clinical transitions and temporal dependencies across visits. Using data from the Alzheimer's Disease Neuroimaging Initiative (ADNI), including cognitive assessments, clinical variables, and MRI-derived phenotypes, the framework predicts cognitive status and diagnostic categories while quantifying predictive uncertainty and enabling patient-specific what-if trajectory analysis. Evaluation on leak-free subject-level splits demonstrates strong performance in score forecasting and diagnosis classification. In this sparse and irregular ADNI setting, transition-based modelling of adjacent visits achieved higher predictive accuracy than the sequence-based branch, suggesting that local transition modelling may be more data-efficient. While sequence models remain valuable for uncertainty-aware trajectory forecasting, local transition modelling offers a more data-efficient and robust predictive strategy. These findings highlight the importance of aligning temporal modelling strategies with clinical data structure and suggest that transition-based digital twin formulations may provide a practical and interpretable approach for personalised disease forecasting in neurodegenerative disorders.
Authors: Jaber Jaber, Osama Jaber
Abstract: AutoMegaKernel (AMK) compiles a HuggingFace Llama-family model into a single persistent cooperative CUDA kernel that runs the whole forward pass in one launch, with no per-model hand-written CUDA. The contribution is the system, not raw speed. A frozen schedule-IR validator statically certifies deadlock-freedom and race-freedom via static graph checks (not a mechanized proof), so an unsafe agent-proposed schedule is rejected before launch: across 7,160 adversarial schedules (6,091 unsafe) it had zero false-accepts and accepted all 360 real lowerings. The same source retargets sm_80/sm_90/sm_120 from one codebase, auto-generates correct megakernels for 10 of 10 supported models, and on a real SmolLM2-135M checkpoint reproduces HuggingFace greedy decode token-for-token (perplexity match 2.5e-7). An unattended, agent-drivable autoresearch loop self-improves the megakernel over its own baseline (1.25-1.72x). A search-found int8 (W8A16) megakernel beats CUDA-graphed cuBLAS bf16 at batch-1 decode across NVIDIA's datacenter inference fleet: L4 up to 1.33x, the current-gen L40S 1.25-1.27x, A10G up to 1.08x at scale, and the consumer RTX 5090 1.19-1.23x. The ordering is not a clean function of bandwidth (the 864 GB/s L40S beats the 600 GB/s A10G); the divide is inference-class vs training-class. AMK trails cuBLAS on the high-bandwidth training-class A100/H100, where the harness localizes the cross-SM-sync bottleneck; we report the gap plainly. This is a precision-asymmetric (W8A16 vs bf16) comparison at decode position 0; the largest real checkpoint is TinyLlama-1.1B. Code and the harness: https://github.com/RightNow-AI/AutoMegaKernel
Authors: Wenjie Xi
Abstract: Scientific generative modeling often requires size transfer, where models trained on small systems are evaluated on larger ones. While translation-invariant architectures enable this evaluation, we show that architectural locality alone does not guarantee stable size extrapolation. Instead, stable extrapolation is governed by the quasi-locality of the Gaussian-smoothed score. Through Tweedie's formula, far-away perturbations can influence local score components via posterior covariance, meaning a local model succeeds only if its receptive field covers the smoothed score's response range. We formalize this mechanism, proving a size-uniform comparison theorem for local marginals under reverse diffusion. We also introduce Finite-Depth Local Flow (FDLF), a white-box diagnostic benchmark with exact scores, densities, and controllable response ranges. Empirically, we validate the interplay between spatial mixing, smoothed-score quasi-locality, and model receptive fields. Under spatial mixing, the smoothed score remains quasi-local relative to the receptive field, enabling stable extrapolation. Conversely, when spatial mixing weakens, the score's locality rapidly degrades, causing size transfer to fail.
Authors: Gianluca Barmina, Annemette Broch Pirchert, Andrea Blasi N\'u\~nez, Lukas Galke Poech, Peter Schneider-Kamp
Abstract: As deep learning models scale, managing, inspecting, and modifying large checkpoints has become increasingly challenging. Researchers often need to alter model weights for layer restructuring, precision casting, low-rank factorization, and architectural debugging, yet these workflows often rely on fragile ad-hoc Python scripts. Here, we introduce BrainSurgery, a tool for robust and reproducible "tensor surgery" on neural network checkpoints, and provide a system demonstration covering four examples and three case studies from model upcycling to LoRA extraction. By abstracting storage formats and memory management, BrainSurgery executes complex transformations through declarative YAML plans. It supports structural modifications, mathematical transformations, and tensor reshaping through expressive regex and structural targeting, while built-in assertions validate tensor shapes, data types, and values to prevent silent errors. We envision that BrainSurgery will provide a strong foundation for future research through its reproducible and validated operations.
Authors: Xiao Li, Yixuan Jia, Zekai Zhang, Xiang Li, Lianghe Shi, Jinxin Zhou, Zhihui Zhu, Liyue Shen, Qing Qu
Abstract: Diffusion models have demonstrated remarkable generative capabilities and have also emerged as powerful self-supervised representation learners, yet the connection between these two abilities remains less explored. Drawing inspiration from self-supervised learning (SSL), we introduce a framework for jointly evaluating the representation and generation capabilities of diffusion models. Specifically, we decompose features into invariant and residual components and derive the Invariant Contamination Ratio (ICR), a Fisher-based metric that quantifies how residual variation contaminates invariant signal in feature space. We use this framework to analyze both discriminative and generative behavior of diffusion models. On the representation side, we find that invariance peaks at intermediate noise levels, which also yield the best downstream classification performance. On the generative side, we study how training transitions from genuine generalization to memorization in data-limited regimes, and show that ICR serves as a sensitive training-time indicator of early learning: increasing residual energy along Fisher directions marks the onset of memorization, detectable from training features alone without external evaluators or held-out test sets. Overall, our results show that diffusion models can be monitored from a self-supervised perspective through the geometry of their learned representations.
Authors: Jhonny J. Velasquez Olivera, Christo K. Thomas, Walid Saad
Abstract: Disentanglement, the separation of factors of variation in data using neural networks, remains a long-standing challenge in machine learning. Prior work has addressed this problem with variational autoencoders and generative adversarial networks that incorporate ideas from variational inference and information-theoretic constraints. In contrast to methods that rely on continuous representations, we propose a design that treats disentangled representations as symbolic structures, motivated by the compositional relationships among the concepts that make up samples from a distribution. However, learning discrete symbolic structures with neural networks while maintaining differentiability is difficult and often requires complex architectures. To address this, we introduce an unsupervised learning algorithm that uses holographic reduced representations (HRR) for neural disentanglement. We show that the HRR unbinding operation provides an inductive bias for separating factors and yields competitive results against baselines, as measured by latent traversals and disentanglement metrics. We complement these empirical findings with an information-theoretic analysis of the HRR unbinding channel. We prove that unbinding induces approximately independent symbol-value pairs and derive a per-slot capacity bound that quantifies how many distinct symbolic concepts can be reliably encoded, giving a quantitative account of the inductive bias toward disentanglement. The resulting representations differ from standard autoencoder-based models, in that their latent units are vectors that are summed together, rather than scalar dimensions of a low-dimensional latent vector. We show that this HRR representation is more robust to noise than other disentangled representations and maintains reconstruction quality across a range of SNRs.
Authors: Chenxiao Yang, Nathan Srebro, Zhiyuan Li
Abstract: We tightly characterize the VC dimension of depth-$L$ Transformers with a total of $W$ parameters, mapping an input sequence of length $T$ to a single output, establishing an upper bound of $O(L W \log (T W))$ and a nearly matching lower bound of $\Omega(L W \log (T W / L))$. We further tightly characterize the sample complexity of chain-of-thought learning using such a Transformer, showing teacher forcing (i.e. selecting a predictor consistent with the entire chain-of-thought on training data) learns with sample complexity $O\left(L W \log \left(\left(T+T^{\prime}\right) W\right)\right)$ and that any learning rule that uses chain-of-thought data requires at least $\Omega\left(L W \log \left(\left(T+T^{\prime}\right) W / L\right)\right)$ examples, where $T$ is the input length and $T^{\prime}$ is the number of autoregressive steps.
Authors: Claudio Nordio
Abstract: We study feed-forward ReLU networks with fixed readout and quadratic loss. The aim is to rewrite gradient descent not primarily as a dynamics in weight space, but as a collective dynamics closed in terms of fields defined on the training-set space. For a single hidden layer, the weight variables can be eliminated from the activation dynamics, yielding a closed equation for the residuals governed by a collective kernel that factorizes into an input-geometric matrix and a dynamical co-activation matrix. For deeper networks, the residual dynamics retains a clean layer-wise kernel structure. However, from depth three onward, closure requires a hierarchy of weight-induced Gram operators that mediate information transport across layers. Moreover, the conjugate-field dynamics is governed by operators satisfying a backward pullback recursion, of which the weight-induced Gram operators are the first nontrivial instances.
Authors: Kyungeun Kim, Amanuel Anteneh, Israel Klich, Olivier Pfister, J. M. Schwarz
Abstract: Responses to perturbations are key to understanding physical systems. The ability to contrast such responses by comparing how a system reacts under slightly different conditions provides a mechanism for learning. Here, we introduce Perturbative Contrastive Physical Learning (PCPL), a general framework in which learning emerges from measurable contrasts between physical states produced by controlled changes to inputs, boundary conditions, parameters, or interpreter functions. PCPL unifies and extends prior approaches: Equilibrium Propagation is rooted in contrasts between free and nudged equilibria in energy-based systems, while Frequency Propagation corresponds to contrasts extracted from sinusoidally driven, frequency-demodulated responses. We show that contrast-driven updates can reflect either local sensitivities or global inverse-problem structure, yet do not require centralized gradient computation. Instead, effective learning geometry emerges implicitly from the system's own physical response, allowing learning behavior to arise without an external processor or explicit backpropagation. We demonstrate PCPL in two platforms: (i) spring networks that update bond stiffness using measured displacements and forces, and (ii) continuous-variable photonic circuits trained via x quadrature measurements and finite-difference estimates of the Jacobian. Both platforms successfully learn classification tasks. We further show that a continuous-variable photonic circuit can be trained to implement analog multiplication, illustrating a step toward more autonomous physical learning systems.
Authors: Andries Rosseau, Robert M\"uller, Ann Now\'e
Abstract: Continual training of deep neural networks under non-stationarity often leads to a progressive loss of plasticity, eventually limiting further learning. We relate plasticity to the empirical Neural Tangent Kernel, and identify dynamical isometry (the condition that layer-wise Jacobian singular values remain close to one) as a key mechanism for preserving plasticity in continual learning. We revisit a class of networks that are almost-everywhere isometric while remaining universal Lipschitz function approximators, demonstrating that near-dynamical isometry is compatible with expressive nonlinear representations. For general architectures, we propose an efficient isometry-promoting regularization scheme and identify a novel mechanism by which it can reactivate dormant ReLU units. Building on this, we introduce AdamO, an Adam-style adaptive optimizer that decouples isometry regularization from gradient updates, analogous to AdamW. We further reinterpret prior plasticity-preserving approaches through the lens of dynamical isometry, showing that they target only a partial measure of isometry. Across supervised and reinforcement-learning continual-learning benchmarks designed to induce plasticity loss, our methods consistently match or outperform existing approaches.
Authors: Lawrence Keunho Jang, Mareks Woodside, Geronimo Carom, Andrew Keunwoo Jang, Jing Yu Koh, Ruslan Salakhutdinov
Abstract: A useful phone agent needs to be personally intelligent. It should reason over a user's identity, history, and preferences as they exist on the device, not just follow isolated instructions in an impersonal sandbox. Existing mobile agent benchmarks lack this kind of personalization. We introduce iOSWorld, the first interactive native iOS simulator benchmark built around a persistent user identity spanning 26 newly built iOS apps. These apps contain connected data such as transactions, messages, travel records, social relationships, and financial activity. iOSWorld includes 133 tasks across three increasingly difficult categories. Single-app tasks (27) test one app, multi-app tasks (60) span 2 to 8 apps, and memory and personalization tasks (46) require agents to infer patterns from personal data. We evaluate frontier and open-source computer-use models in both vision-only and privileged vision+XML settings. The best configuration reaches 52\% overall but only 37\% on multi-app tasks. Privileged vision+XML access improves frontier models by up to 26 percentage points, while smaller models do not benefit from added accessibility-tree input. We release iOSWorld as an open-source benchmark with all apps, seeded data, tasks, rubrics, and evaluation code.
Authors: Abd Elghani Meliani, Arora Sagar, Adlen Ksentini, Raymond Knopp
Abstract: The Cloud-Edge Continuum (CEC) enables latency-critical applications by distributing resources to the far edge, but its extreme volatility makes proactive Zero Touch Management via time-series forecasting essential. However, orchestrators face a severe "cold start" problem: newly discovered nodes lack the historical data required to train localized predictive models, while generalized models fail to capture unique hardware and microservice behaviors. To solve this, we propose a fully automated time-series prediction architecture driven by a novel data-mixing methodology. At the infrastructure level, we introduce a lightweight, technology-agnostic Resource Exposer (RE) that dynamically discovers nodes and continuously collects customizable telemetry (e.g., compute, network, energy). To overcome the sparsity of these initial local samples, our framework automatically merges them with TimeTrack, our publicly available, high-resolution dataset collected at 45-second intervals. This synergizes TimeTrack's foundational, high-frequency temporal patterns with the precise calibration of the local node data. Processed through a Neural Architecture Search (NAS) engine, the system automatically generates highly accurate baseline models. Experimental results demonstrate that merging the target data with TimeTrack effectively mitigates the cold start challenge. This integration significantly improves forecasting accuracy measured in Mean Squared Error (MSE), Mean Absolute Error (MAE), and Mean Absolute Percentage Error (MAPE) and accelerates convergence compared to training on the sparse local samples alone, training solely on generic datasets, or mixing the target data with standard alternative datasets, establishing a robust foundation for continuous MLOps deployment.
Authors: Udvas Das, Waris Radji, Debabrota Basu, Odalric-Ambrym Maillard
Abstract: We consider a variant of the linear contextual stochastic multi-armed bandits, where the learner must provide recommendations to a group of users, each having its personalized preference vector, and in the presence of context distributions that are drifting over time. Under practitioner-friendly assumptions, we reduce this setting to linear bandit with stationary mean but heteroskedastic and non-stationary noise. We further study the case when the learner must ensure the mean reward of each decision must exceed that of a baseline strategy $\boldsymbol{\pi}_0$ at each decision step. We introduce Dri-MED, an algorithm inspired from the linear version of the MED strategy, and carefully adapted to handle the non-stationary heteroskedastic noise. We show that the instance-dependent regret scales as $\tilde{\mathcal O}\left(\frac{\kappa}{\tilde{\Delta}}d^2(\log(T)\right)$, where $\tilde{\Delta}$ is the constraint-aware sub-optimality gap subject to policy $\pi_0$, with variance-aware multiplicative term $\kappa$ that we carefully handle using heteroskedastic regression. We further show Dri-MED enjoys $\tilde{\mathcal{O}}(d)$ expected constraint violations. Our numerical results suggest that Dri-MED significantly outperforms conservative baselines that ignores the drift and preference structure.
Authors: Lennart Bastian, Samuel Leventhal, Mustafa Hajij, Tolga Birdal
Abstract: We introduce Topological Neural Operators (TNOs), a principled framework for operator learning on cell complexes that lifts neural operators (NOs) from functions on points and/or edges to topological domains. TNOs represent data as features defined on cells of varying dimension and model their interactions through Discrete Exterior Calculus, enabling explicit cross-dimensional coupling via gradient-, curl-, and divergence-type operators. The key design principle is to decouple where information flows, as governed by fixed topological operators, from how it is transformed (which is learned), yielding models that respect the geometric support of physical quantities and expose conservation and compatibility structure. We further propose Hierarchical TNOs (HTNOs), which incorporate learned coarse complexes to propagate long-range and topology-dependent information. Our framework subsumes existing NOs as a special case, providing a unified perspective on operator learning across discretizations. Across a range of PDE benchmarks, including irregular-geometry flow problems, TNOs and HTNOs improve accuracy; controlled studies further isolate the benefits of native higher-rank and topological structure. Project page: https://circle-group.github.io/research/TNO
Authors: Jiarui Yao, Xiangxin Zhou, Penghui Qi, Wee Sun Lee, Liefeng Bo, Tianyu Pang
Abstract: Reinforcement learning (RL) has become a key component of post-training large language models (LLMs). In practice, LLM RL is often off-policy because of training-inference mismatch and policy staleness, making trust-region control essential for stable optimization. Mainstream methods such as PPO and GRPO approximate this control with a ratio-clipping mechanism, but the importance ratio can be a poor proxy for distributional shift in long-tailed vocabularies. Recent work such as DPPO addresses this mismatch by replacing ratio-based clipping with a divergence-based mask, yielding a trust region defined by the sampled token's absolute probability shift. However, DPPO still relies on a hard mask: once a token crosses the trust-region boundary in a harmful direction, its gradient is discarded rather than corrected. To address this, we propose Divergence Regularized Policy Optimization (DRPO), which replaces the hard mask with a smooth advantage-weighted quadratic regularizer on policy shift. DRPO preserves the same trust-region geometry as DPPO while inducing bounded, continuous gradient weights that attenuate diverging updates and provide corrective signals beyond the boundary. Experiments across model scales, architectures, and precision settings show that DRPO improves the stability and efficiency of LLM RL training.
Authors: Anton Bolychev, Georgiy Malaniya, Sinan Ibrahim, Pavel Osinenko
Abstract: Training reinforcement learning (RL) policies from scratch is costly: it requires careful reward and environment design, extensive tuning, and substantial computation. Yet many control problems already have a functional but suboptimal policy available as a baseline. This paper proposes a method for embedding such a baseline into the RL training process, simultaneously improving training efficiency relative to from-scratch methods and producing a learning policy that outperforms the baseline. At each step, the method arbitrates between the baseline policy and a trainable learning policy, initially relying strongly on the baseline policy and then progressively transferring agency to the learning policy. By the end of training, the learning policy is a standalone neural network that operates without baseline policy support. The paper formalizes what it means for the baseline policy to be functional: under this policy, the agent reaches a goal set and remains there with high probability. The proposed arbitration mechanism is designed to exploit this property during training, yielding high goal-reaching rates right from the beginning of training. A theoretical analysis provides a formal interpretation of this behavior under stated assumptions and extends it to the final baseline-free regime, where explicit lower bounds are derived for the goal-reaching probability of the standalone learning policy. Empirical results on continuous-control benchmarks show that the proposed method achieves returns that match or exceed those of competitive approaches, while maintaining the highest goal-reaching rates throughout training among the compared methods -- including in the final stage, where the learning policy operates without any baseline support.
Authors: Yirong Zeng, Yufei Liu, Xiao Ding, Yutai Hou, Yuxian Wang, Wu Ning, Haonan Song, Dandan Tu, Qixun Zhang, Yuxiang He, Bibo Cai, Ting Liu
Abstract: Instruction Following (IF) is a core capability of LLMs, requiring strict adherence to diverse constraints, ranging from verifiable ones (e.g., output length) to unverifiable ones (e.g., tone). Reinforcement learning with verifiable rewards has emerged as a paradigm for IF tasks, leveraging LLM-as-a-judge to assess unverifiable constraints. However, we empirically find that this approach remains a significant bottleneck, suffering from severe reward hacking and higher computational overhead. In this work, we first analyze the generalization capabilities of unverifiable constraints and discover that specific constraints exhibit distinct, high-generalization patterns. Motivated by this, we propose TinyJudge, a framework that employs an ensemble of specialized tiny language models ($\sim0.6B$) to provide rewards for soft constraints. By distilling expertise from frontier models into these tiny models, it achieves high-precision, lightweight evaluation. Extensive evaluations across five benchmarks demonstrate that TinyJudge outperforms the baselines by $\sim10\%$ in average performance and $12\%$ in reward precision. Crucially, it also achieves a $3\times$ speedup in total training time. Our work provides a scalable and robust path for aligning LLMs with unverifiable human instructions.
Authors: Julia Kruk, Sanchita Porwal, Amitrajit Bhattacharjee, Mansi Phute
Abstract: We propose an unsupervised method of resolving slang, unique entities, and folklore from online communities by isolating words in the lexicon that have the highest magnitude of semantic shift. Semantic shift is defined as the evolution of a word's encoded representation as a result of fine-tuning a pretrained Large Language Model (LLM) on a community-specific text corpus. This value is inversely proportional to the cosine similarity between the base model's encoded representation of a word, and a fine-tuned model's encoded representation. We fine-tune the DistilRoBERTa model on text corpora collected from 3 Reddit subreddits (r/Technology, r/Gaming, r/WorldofWarcraft), model a distribution of cosine similarity over the lexicon, and show that one can successfully resolve words that have unique significance to the community by pulling data in the bottom 10-percentile. In contrast, we show that data in the top 10-percentile consist of words that carry relatively universal semantics.
Authors: Michael Hassid, Yossi Adi, Roy Schwartz
Abstract: The prevailing paradigm for training LLMs has evolved to rely on a massive post-training phase consisting of SFT and RL. In this position paper, we argue that this methodology effectively marks a reversion to the ``pre-train then fine-tune'' approach of the BERT era, explicitly tailoring models to the desired behaviors and specific benchmarks on which they are evaluated. We begin with a historical overview of LLMs, describing the different phases of the LLM evolution. We argue that the current landscape is remarkably similar to the early days of LLMs, where task performance heavily relied on fitting the models to in-distribution datasets. To empirically demonstrate this, we compare pre-trained models to randomly initialized ones, by fine-tuning both variants on modern reasoning datasets and evaluating them on competitive math and code benchmarks. We show that models post-trained from scratch yield highly non-trivial performance. Our findings suggest that current post-training methodologies function primarily as a distribution-fitting mechanism. We finish by positing that developing generally capable models and systems requires moving beyond extensive post-training for predefined behaviors, shifting instead toward training procedures where models ``learn how to learn''.
Authors: Naveen Bera, Pulijala Sai Nikhila, Kondaguduru Abhiram, Shaik Gayaz Ali, Shoaib Sadiq Salehmohamed, Shaik Mohammed Omar, Jinal Prashant Thakkar, Hansika Aredla, Shalmali Ayachit
Abstract: Hallucination in large language models (LLMs), defined as the generation of factually incorrect or unsupported content, remains a critical barrier to reliable deployment. We present BEACON (Behavioral Entropy Aggregation for Cross-model hallucination detectiON), a black-box hallucination detection framework that operates purely on model outputs without requiring access to internal representations or external knowledge bases. BEACON extracts a 31-dimensional feature vector from structured multi-pass generation, integrating NLI-based semantic entropy, embedding geometry, chain-of-thought consistency, and paraphrase stability signals. A gradient-boosted classifier trained on 7,617 labeled examples across seven benchmarks achieves 0.8123 +/- 0.0102 AUROC (95% CI: 0.7632-0.8251), outperforming standalone semantic entropy (+0.2298) and SelfCheckGPT-style consistency baselines (+0.2457). Feature importance analysis shows that hallucination is inherently multi-dimensional, requiring combined uncertainty signals. An efficient 5-call variant achieves 0.7795 AUROC, enabling practical deployment across black-box LLM APIs.
Authors: Shengli Zhou, Xiangchen Wang, Guanhua Chen, Feng Zheng
Abstract: Large language models (LLMs) have recently been applied to 3D vision-language (3D-VL) tasks, which require spatial reasoning to identify target objects relative to anchors. Scene graphs are commonly employed to represent such relations, but reasoning over complete graphs incurs high token costs and computational inefficiencies, motivating the need for pruning. Existing pruning methods primarily rely on spatial proximity and often remove task-relevant relations, thereby undermining reliable spatial reasoning. To address these limitations, we derive a key requirement for scene graph pruning: preserving spatial relations that are most pertinent to the specific 3D-VL task. Guided by this insight, we propose the Conceptual-Adjacent Scene Graph Pruner (CAPruner). CAPruner integrates fuzzy semantic relevance with spatial proximity to estimate the importance of relations, enabling the selection of critical relations in a task-specific context. Moreover, to avoid costly relation-level annotations, CAPruner is trained by supervising the aggregated scores of each node's incident edges. Extensive experiments demonstrate that CAPruner effectively preserves relations essential for spatial reasoning, leading to substantial performance improvements of LLMs on 3D-VL tasks. Code is available at https://github.com/fz-zsl/CAPruner.
Authors: Ruixiao Sun, Diego Uribe Mora, Zhimeng Jiang, Yuanzhen Lin, Jiarui Wang, Yuening Li, Danfeng Guo, Zhizhong Chen, Chuan He, Liang Liu
Abstract: Capturing user interests across extensive watch histories is critical for short-form video recommendation, yet scaling sequence length is limited by two bottlenecks: the semantic sparsity of atomic Video IDs and the quadratic computational complexity of Transformers. Traditional orthogonal Video IDs fail to capture content relationships and demand large embedding tables, while the quadratic complexity of self-attention restricts the maximum sequence length under strict industrial latency and resource constraints. In this work, we present a production-deployed framework for modeling ultra-long user behavior sequences at a billion-user scale. We first address the representation bottleneck by adopting content-native Semantic IDs. By utilizing depth-truncated, coarse-grained Semantic IDs, we shrink the embedding table size from corpus cardinality. This compact representation naturally generalizes to cold-start content through shared semantic prefixes. Second, to overcome the sequence scaling barrier, we introduce a Global-Aware Compression Transformer that leverages non-parametric temporal folding and unified global query integration to effectively condense the sequence, alleviating both the memory and computational bottlenecks of standard self-attention. Offline profiling on our computing infrastructure demonstrates an order-of-magnitude reduction in peak memory footprint and a drastic decrease in computational overhead. This efficiency gain enables supporting longer sequence lengths at an affordable cost in production, yielding substantial online gains in satisfied user engagement and satisfied content consumption in large-scale online A/B tests.
Authors: Augustin Chan
Abstract: Large language models exhibit innate behavioral tendencies when deployed as strategic agents -- notably a risk-averse "turtle" bias toward defensive play. We show that symbolic reasoning frameworks, injected as per-round reflective prompts into one agent, differentially modulate this bias and reshape the multi-agent ecosystem to produce framework-specific winner distributions. In a 7-player Warring States Diplomacy variant (41 games, 4 conditions, single-campaign memory accumulation), each framework produces a distinct ecosystem signature: under control, Yan dominates (7/11, 64%); under I-Ching yarrow divination, Yan and Chu co-dominate while Qin is completely suppressed (0/10); under Tarot, Qin dominates (5/10, Fisher vs. pooled p = 0.006); under scrambled-text ablation (incoherent oracle text preserving prompt structure), Qi dominates (5/10, Fisher vs. pooled p = 0.006). The framework-receiving agent (Han) never wins and shows no survival difference across conditions (Fisher p = 1.0), but Tarot consistently elevates Han's peak territory (mean 3.0 SCs vs. 2.1-2.5 others, Kruskal-Wallis p = 0.010). Neither framework's content predicts subsequent actions -- hexagram themes (chi-squared p = 0.95) and Tarot card postures (chi-squared p = 0.69) are both independent of action choice -- suggesting the modulation operates through the reflective process, not content-following. We present this as an observation paper establishing that alignment-framework choice at the agent level produces distinctive system-level consequences in multi-agent settings.
Authors: Han-yu Wang
Abstract: Glossaries, technical specifications, and system prompts routinely ask language models to use familiar words in unfamiliar ways. When this works, the lexical prior persists through override rather than being replaced: it continues to operate after the local rule applies, with the rule lowering its logit rather than installing the new meaning on top. We test this with a Stroop-style paradigm: a remapping rule ("doctor" means "forest") pitted against the query word's lexical-prior distractor ("hospital"), with matched neutral controls. Across 11 open-weight models spanning four families and 1B--9B parameters, lexical-prior strength predicts interference even after item-level controls for answer prior, frequency, tokenization, and prompt wording. Activation patching on five aligned models locates a source-position triplet (definition subject, definition target, query word) that nearly fully recovers the conflict effect (aggregate $R \in [0.92, 1.06]$). A definition-target swap shows the triplet performs binding rather than identity matching. Dissociation experiments isolate target preservation as the binding-specific signature: distractor suppression occurs under matched, swap, and item-mismatched conditions alike, whereas target logit collapse occurs only when the definition-target position is corrupted. Behavior and mechanism converge on the same channel: the lexical prior is where both interference originates and where override leaves its mark.
Authors: Han-yu Wang
Abstract: Function-vector (FV) heads (Todd et al., 2024) are typically identified by the magnitude of their causal contribution to in-context rule tasks, under the implicit assumption that the top set is a homogeneous functional class. This assumption fails. We replace magnitude-only ranking with a sign-preserving criterion (refined DLA + permutation FDR) and validate each candidate by path patching. The FV head population then splits into two opposing sub-populations: writers push the rule-correct logit up; cancellers push it down. A four-condition canonical verdict holds in $13/15$ cells across three model families and six Pythia scales, and a sign-shuffle rejects homogeneity in $5/6$ main cells. The structure is invisible to magnitude-only ranking: Todd's top-$20$ captures $64\%$ of cancellers but only $4\%$ of writers on the hierarchical task, and $59\%$ of writers but only $8\%$ of cancellers on the modular task. We rule out six artefact accounts on all $27$ canceller (cell, head) pairs: induction overlap, sinks, generic importance, rank-$1$ copy-suppression, V-cascade, and rank-nearest non-FV controls. Zero-ablating cancellers yields $+0.13$ to $+0.29$ nats of logit gain in $6/6$ main cells with a directionally consistent $+2$ to $+7$ pp accuracy effect.
Authors: Ishaan Singh Chandok, Core Francisco Park
Abstract: Scientific data annotation, such as tracking animals in video or proofreading neural reconstructions, remains bottlenecked by the "last mile" problem: even with strong automation, verification and correction consume substantial human effort. Standard approaches train models to directly predict annotations, discarding the rich supervision in how experts navigate, click, verify, and correct. We introduce a framework for studying behavioral cloning on scientific annotation: 9 synthetic tasks paired with synthetic annotations that simulate realistic human strategies including exploration, mistake correction, and strategic decision-making. Our experiments reveal several findings. First, skills emerge hierarchically: models learn GUI mechanics before task-critical decisions, and commit fewer mistakes than the training data while retaining the ability to correct errors when they occur. Second, scaling models on multi-task behavioral cloning shows that larger models are more data efficient within our scale range. Third, multi-task pretraining enables efficient fine-tuning to new tasks, while training from scratch fails entirely. Fourth, linear probes reveal that models internally represent latent variables of the annotation process such as task phase and data position; interestingly, we find a shared mistake representation that generalizes across different annotation tasks. Overall, our framework establishes systematic benchmarks and identifies key bottlenecks, providing a foundation for scaling behavioral cloning to real-world scientific data annotation.
Authors: Mouyang Cheng, Wenhao He, Zhuotao Jin, Bowen Yu, Ju Li, Boris Kozinsky, Yao Wang, Pavel Volkov, Liangzi Deng, Ching-Wu Chu, Xiao-Gang Wen, Mingda Li
Abstract: Scientific knowledge is increasingly dispersed across vast and heterogeneous scientific literature, where important claims are often implicit, evolving, and internally debated. While large language models (LLMs) have shown impressive performance in information extraction and summarization, their ability to recover latent scientific consensus remains unclear. Here, we investigate this problem in the context of high-temperature superconductivity (HTS), a long-standing and highly debated topic in condensed matter physics, as a challenging testbed. Using near 18,000 highly-cited publications over the past seven decades, we construct a structured knowledge graph linking competing superconducting mechanisms, material families, evidential modalities, and citation relations. We find that LLM-extracted representations recover coherent and physically interpretable structures, including family-dependent mechanism profiles, evidence-specific correlations, and citation-mediated temporal evolution of scientific beliefs. Ablation studies on LLM further show that the global structure remains robust across prompting, decoding, and model variations. Our results suggest that LLMs can indeed serve as scalable tools for deciphering scientific knowledge in domains characterized by competing interpretations and evolving knowledge.
Authors: Sota Kato, Xuan Luo, Budrul Ahsan, Asahi Obata, Takafumi Nakanishi
Abstract: Despite Japan being one of the world's largest advanced democracies, the development of election forecasting models for its national elections remains limited. This study introduces nonlinear machine-learning forecasting models, based on decision tree and ensemble learning methods, for predicting the outcomes of Japanese lower-house elections. To assess the methodological benefits of our approach, we replicated the theoretical framework and dataset of Lewis-Beck and Tien's (LBT) foundational statistical forecasting model for Japanese elections. Our models demonstrated moderately but consistently improved predictive accuracy compared to LBT's model in both in-sample and out-of-sample evaluations, suggesting that nonlinear algorithms offer an alternative approach to classical linear methods in capturing complex electoral dynamics. This study represents one of the earlier applications of nonlinear machine-learning techniques to single-country election forecasting. It offers a replicable framework that, when combined with the country-specific electoral theories of other nations, may enhance the predictive performance of forecasting models in broader national contexts.
Authors: Chenrui Wang, Yixuan Qiu
Abstract: Manifold-constrained hyper-connections (mHCs) have recently been proposed as a principled extension of hyper-connections, where the residual mixing matrices are constrained to be doubly stochastic via projection onto the Birkhoff polytope. In practical mHC implementations, this constraint is enforced by Sinkhorn-Knopp iterations, and the backward pass relies on unrolling the iterative solver. This design introduces substantial computation and memory overhead, and may also yield inaccurate projections when the algorithm converges slowly on challenging inputs, undermining the intended norm-control and stability guarantees of mHCs. In this work, we focus on the practically important 4x4 Birkhoff projection setting and develop an end-to-end acceleration framework. By leveraging the dual formulation, we reduce the problem to a three-dimensional unconstrained convex problem and solve it with Newton's method, achieving fast convergence and high accuracy. For the backward pass, we replace the unrolled differentiation with implicit differentiation, yielding exact gradients without storing intermediate states. To exploit massive parallelism, we design a warp-level CUDA kernel that uses only register-level primitives, avoiding global and shared memory I/O. Extensive experiments against representative open-source baselines demonstrate that the proposed solver yields substantially more reliable doubly stochastic projections -- especially when the input magnitude is large -- and achieves significant end-to-end speedups (including the backward pass), reaching over 20x acceleration at large batch sizes while maintaining orders of magnitude smaller marginal errors.
Authors: Ujjwala Vadrevu
Abstract: Regulatory stress testing frameworks, including the Comprehensive Capital Analysis and Review (CCAR) and the Internal Capital Adequacy Assessment Process (ICAAP), require robust Stressed Value-at-Risk (SVaR) estimation under forward-looking macroeconomic scenarios. Traditional parametric approaches often exhibit numerical instability under extreme shocks, reducing the reliability of capital projections. This paper extends the Hybrid Gaussian Process Regression Historical Simulation (GPR-HS) framework of Vadrevu (2026) to forward-looking stress scenarios, demonstrating stability across three regimes: West Asia War, Climate Risk, and AI Bubble/Regulation. A key contribution is the Scenario-Averaged Covariance Stabilization (SACS) framework, which constructs stress covariance as a weighted aggregation of historical crisis regimes, providing stable and interpretable dependence structures. Stressed return paths are generated over a 252-day horizon using deterministic drift and stochastic residuals, while volatility is modeled via Gaussian Process Regression with Aggressive Noise Initialization (ANI). The framework exhibits consistent convergence across all assets and scenarios. SVaR ranges from -2.1020% to -2.2231%, with the coherence property |SES| > |SVaR| preserved. The results support GPR-HS with SACS as a stable and regulator-aligned approach for forward-looking SVaR and SES estimation in CCAR and ICAAP applications.
Authors: Feng Liu, Achira Boonrath, Eleonora M. Botta, Souma Chowdhury
Abstract: As Low Earth Orbit has grown more crowded with space debris, the need for reliable and efficient debris removal solutions becomes more urgent. An active tether-net system with maneuverable units is one of the promising solutions to this problem, whose success is dependent on the robustness of the net maneuver and closing decisions. These in turn are impacted by the uncertainties attributed to i) noisy observation of the target debris state (e.g., sensing errors), and ii) imperfect simulations of the complex net dynamics and net/debris interaction behavior, over which the decision system is trained. This paper focuses on the first of these two uncertainty sources, and presents a pipeline to propagate and quantify the resulting uncertainty in the debris capture performance expressed in terms of Capture Quality Index (CQI). This quantification is uniquely performed for both an active tether-net using a fixed baseline control and one using a trained neuro-control policy to guide the net maneuver during the deployment phase. Two different uncertainty quantification (UQ) techniques, namely Sobol's variance-based sensitivity analysis and perturbation-based method are exploited. A high-fidelity simulator and a lower-fidelity surrogate-based environment are used to demonstrate trade-offs between prediction accuracy versus ease of resolving uncertainties.
Authors: Vladimir Ja\' cimovi\'c
Abstract: We consider the black-box optimization problem on a sphere. Two information-geometric optimization flows (IGO flows) are designed with rigorous calculation of natural search gradients based on hyperbolic (information) geometry of Poincar\' e and Bergman balls. We demonstrate that ensembles of generalized Kuramoto oscillators on spheres compute natural search gradients and realize IGO algorithms on both manifolds. The relationship between natural gradient policies in Bergman balls and quantum decision making is pointed out.
Authors: Bo Zhang, Borui Zhang, Chenghao Jiang, Minglei Shi, Xiaofeng Wang, Zheng Zhu, Jie Zhou, Jiwen Lu
Abstract: Personal AI agents must increasingly operate across APIs, shells, web surfaces, and desktop GUIs, yet many systems remain tuned to a single interface and offer limited support for user teaching and auditability. We present Syll, an open-source, self-hosted multimodal agent harness that unifies MCP/API tools, CLI execution, and visual GUI control in a modular runtime, enabling agents to coordinate computer use across heterogeneous interfaces while streamlining how users and agents exchange information. At the core of Syll is a bidirectional user-agent interaction layer: users teach procedures through direct demonstration, which Syll compiles into reusable skills; agent execution is translated back into multimodal evidence -- logs, keyframes, and approval checkpoints -- for inspection and control. Syll further externalizes memory, skills, routines, and governance as editable local artifacts, supporting straightforward inspection, extension, and downstream development. Our implementation has been validated on production desktop applications including Adobe Photoshop, Adobe Audition, Stardew Valley, macOS Finder and others. We report mechanism-oriented studies that validate multimodal routing, teachable GUI replay, and persistent local artifacts. We hope Syll can serve as a practical open-source foundation for personal automation that users can teach, inspect, and continuously extend.
Authors: Felix Akeret
Abstract: We present a systematic study of fine-tuning OpenAI's Whisper large-v3 for Swiss German ASR, using 1,367 hours of broadcast speech paired with Standard German subtitles as weak supervision. Through 16 iterative training runs on an NVIDIA DGX Spark (Grace Blackwell, 128 GB unified memory, up to 1 PFLOP FP4), we compare LoRA and full fine-tuning of the 1.55B-parameter model, investigate hallucination root causes, and quantify the effect of data quality, subtitle alignment, and training strategy. Our best model achieves 25.6% measured WER on the All Swiss German Dialects Test Set (ASGDTS) in an honest evaluation on strictly disjoint data. A harmonized error analysis separating genuine errors from valid stylistic variation (tense, word order, Swiss orthography) yields a content WER (cWER) of 13.8%, counting only actual recognition failures. Bias-corrected estimation reduces this to 8.5%, suggesting the true error rate is roughly one third of measured WER. We demonstrate that published state-of-the-art Swiss German ASR results (17.1-17.5% WER) are inflated by benchmark contamination: a vanilla Whisper model self-trained on the ASGDTS test set with zero Swiss German data achieves 13.88% WER, surpassing all published systems. Experiments with Phi-4-multimodal show an even stronger memorization effect (3.9% WER), revealing that the benchmark primarily measures convention matching rather than dialectal comprehension. We release two models, a LoRA adapter (25.32% WER, 13.9% cWER) and a full fine-tuned model (25.60% WER, 13.8% cWER), among the few publicly available, honestly evaluated Whisper models for Swiss German, under Apache 2.0 with full reproducibility, requiring no institutional data agreements.
Authors: Aabia Ather, Muhammad Usayd Ather, Qurat-Ul-Ain Somroo, Muhammad Khuram Shahzad
Abstract: This paper proposes an improved approach to the analysis of Mining Software Repositories (MSR) datasets via metadata enrichment, FAIRness assessment, and topic-driven analysis. This research expands upon an earlier dataset directory created specifically for the analysis of MSR datasets by adding new annotations to the datasets, enriching the metadata categories, and offering more advanced filtering options. The metadata of the MSR papers presented from 2013 to 2024 has been gathered using the Semantic Scholar API. The analysis is based on Latent Dirichlet Allocation (LDA) topic modeling and statistical analysis. Dataset-level attributes were included into the expanded dataset directory, namely repository hosting site, format, accessibility, reusability, and dataset quality. The study reveals that the choice of repository hosting sites and data formats influences citation patterns and dataset usability. Furthermore, the enhanced annotation approach improves the analysis and discoverability of MSR datasets, supporting more effective reuse and evaluation of research artifacts.
Authors: Vansh Gupta, Peter Nutter, Samuel Stante, Andreas Krause, Florian Tram\`er, Lukas Fluri, Xin Chen, Anna Hedstr\"om
Abstract: We argue that many Anthropomorphic Misalignment Research (AMR) studies need stronger evidence to ensure that they can provide a robust foundation for critical safety decisions, such as model deployment and regulation. By evaluating failure modes across different misalignment concepts, such as deception, emergent misalignment, and sycophancy, we show how conceptual ambiguity, non-robust datasets, experimental design, and insufficient causal interventions can lead to overinterpretation of model behaviors. This position paper aims to offer guidance on evidentiary considerations that can help improve methodological rigor in AMR. To achieve this, we provide a clear call to action through a proposed framework of evidence levels and a diagnostic checklist. These shared standards will enable more productive scientific discourse and ensure that claims about AI risks rest on solid empirical foundations.
Authors: Pramit Kumar Bhaduri, Mahdi Taheri, Samira Nazari, Maksim Jenihhin, Christian Herglotz, Michael Hubner
Abstract: With the growth of Vision Transformers in safety-critical domains like autonomous systems and medical imaging, ensuring their reliability against soft errors is paramount. While ViTs offer state-of-the-art accuracy, their massive parameter counts render exhaustive fault injection campaigns infeasible. To bridge this gap, a statistical fault injection framework is presented, leveraging finite-population sampling theory to provide formal reliability guarantees. It is demonstrated that failure rates are bounded within a 1% margin at 99\% confidence using only a few thousand samples, regardless of model scale. This methodology achieves up to a 10,700 times reduction in experimental cost compared to exhaustive approaches, while preserving the ability to localize vulnerabilities across architectural components. Through extensive evaluation of different architectures like ViT-Tiny and ViT-Small, a highly non-uniform reliability landscape is uncovered. It is shown that while only 3% of FP32 bit-flips result in failure, the vast majority of these events lead to catastrophic accuracy collapse. Specific vulnerabilities are localized to normalization layers and critical exponent bits within the IEEE-754 format, providing a mathematical foundation and actionable insights for the design of hardened, edge-deployed ViT architectures.
Authors: Borja Arroyo Galende, Alejandro Almod\'ovar, Patricia A. Apell\'aniz, Juan Parras, Silvia Uribe, Santiago Zazo
Abstract: This study investigates the trade-offs between fidelity, privacy, and utility in synthetic data generation under conditions of data scarcity and privacy sensitivity. We propose an evaluation framework that jointly assesses these three dimensions and apply it to three widely used generative models, VAE, GAN, and DDPM. The evaluation spans three image datasets, MNIST, OCTMNIST, and OrganAMNIST, encompassing both general-purpose and medical imaging domains. Notable differences arise between the three models in their behaviour when differential privacy mechanisms are introduced during training. GAN and DDPM demonstrate greater robustness, maintaining higher fidelity and downstream utility across a range of noise levels, while VAE degrades more rapidly as privacy constraints increase. This study highlights the importance of a multidimensional evaluation of deep generative models, also noting that their behaviour significantly differs when privacy techniques are applied.
Authors: Ruipeng Zhang, Zhihao Li, C. L. Philip Chen, Tong Zhang
Abstract: Large vision language models (LVLMs) have made rapid advancements and are deployed across various applications, yet hallucinations remain a major challenge. Activation steering is appealing due to its minimal training overhead and controllability at inference time. However, we found that during autoregressive decoding, visual conditioning affects token prediction sparsely and locally across decoding steps, and many existing methods that average image-versus-no-image differences over the entire sequence dilute these critical signals, yielding low signal-to-noise ratio steering directions. Additionally, many existing methods apply a fixed steering strength, which misallocates the intervention budget, over-perturbs non-critical tokens, and can cause instability. To address these limitations, we propose Token-Level Visual-Sensitivity Steering (TLVS) for hallucination mitigation. Our approach first extracts token-level steering vectors and refines them, and then applies fine-grained, visual-sensitivity-adaptive steering only where it matters. This lightweight, plug-and-play mechanism requires only minimal training for calibration and can be applied across diverse vision-language models. It modulates the steering strength at each decoding step, selectively suppressing hallucination-prone spans while preserving evidence-grounded content. We evaluate TLVS on several benchmarks, including POPE, AMBER, CHAIR (COCO), MMHal, and HallusionBench, demonstrating consistent improvements over previous steering methods.
Authors: Vansh Ramani, Har Ashish Arora, Dhairya Kuchhal, Sergei Tatarin, Lev Krasnov, Sayan Ranu, Tarak Karmakar
Abstract: Solubility prediction is a standard benchmark in computational chemistry, yet multi-solvent models which reportedly approach the experimental-noise ceiling (i.e. the aleatoric limit) are not yet reliable enough to be deployed. We argue that this gap is partly artefactual: published benchmarks differ in curation policies, evaluate on count-weighted RMSE that hides failure on tail-heavy solvent distributions, and treat the widely cited 0.6-0.8 log S inter-laboratory figure as the aleatoric ceiling even though it reflects worst-case, not expected, disagreement. We introduce SC3, a multi-solvent solubility benchmark built on BigSolDB v2.1 with three contributions: (i) a reproducible curation pipeline yielding 101,535 measurements over 1,327 solutes and 206 solvents, with a recalibrated aleatoric floor of 0.106 log S-roughly 6 times tighter than the conventional figure; (ii) nested Gold/Silver/Bronze consensus tiers with per-point standard deviation, three leakage-checked splits, and a multi-solvent metric suite (PS-RMSE, Z-RMSE); and (iii) a 31-model benchmark across six families, whose best Bronze PS-RMSE sits at 5 times the aleatoric limit, and we observe this is a gap unclosed by any deep alternative tested. We perform three follow-on analyses: data scaling, transfer from quantum-chemistry solvation energies, and feature-level attribution, which demonstrates that calibrated per-point uncertainty is a reusable infrastructure for diagnosis beyond point prediction.
Authors: Zhiguo Qu, Keqi Li, Le Sun, Wenjie Liu, Yimin Yu, Saif Al-Kuwari, Ahmed Farouk
Abstract: Traffic sign recognition is crucial for intelligent transportation and autonomous driving, as it can improve driving efficiency and ensure road safety. However, traditional recognition methods are based on large datasets and intensive computation, which limits their real-time applicability. Spiking Neural Networks (SNNs) offer a biologically inspired, energy-efficient alternative due to their spatiotemporal processing capabilities, but suffer from information loss and vanishing gradients during training. To overcome these limitations, this study proposes a Quantum Deep-supervised Spiking Neural Network (QDS-SNN) that integrates Quantum Neural Networks (QNNs) for efficient, low-power deep supervision. Using quantum superposition and entanglement, QNNs enable expressive representations and parallel computation, thereby enhancing performance without compromising energy efficiency. The proposed QDS-SNN incorporates a temporally and spatially adaptive LIF (TSA-LIF) neuron and a quantum-assisted classifier module (QACM) to mitigate gradient issues and improve training effectiveness. This study conducts experiments on the PennyLane quantum simulation platform, and the results show that QDS-SNN achieves 99.72\% accuracy on the GTSRB dataset in only 6 time steps -- outperforming the MS-ResNet baseline by 1.32\% while reducing energy consumption by 55.77\%. In the TSRD dataset, it achieves 97.90\% accuracy while reducing energy use to 52.68\% of the baseline. These results demonstrate that QDS-SNN offers a high-performance, energy-efficient solution for traffic sign recognition in intelligent transportation systems.
Authors: Santiago Cepeda, Olga Esteban-Sinovas, Ignacio Arrese, Rosario Sarabia
Abstract: Maximal safe resection is the primary objective in glioma surgery. Neuronavigation guidance is progressively degraded by brain shift after dural opening. Intraoperative MRI can compensate but needs dedicated infrastructure and is rarely available, whereas intraoperative ultrasound (ioUS) is inexpensive, repeatable, and compatible with routine workflows. Navigation systems combining ioUS with preoperative MRI usually rely on rigid registration; even deformable multimodal registration is limited by ultrasound speckle contrast, a narrow field of view, and the inability to represent structures absent from the preoperative scan, most critically the resection cavity and residual tumor. We propose an end-to-end pipeline that generates a new whole-brain MRI volume in the preoperative imaging space by merging the preoperative MRI, a synthetic MRI generated from the ioUS, and a deformable registration anchored on that synthetic image. It integrates a 2.5D residual-transformer synthesis backbone (ResViT-2.5D) and a two-stage registration coupling NiftyReg with a synthesis-anchored SynthMorph stage, operating directly on raw scanner inputs. On a post-resection ReMIND cohort, ResViT-2.5D produced synthetic images closely matching the intraoperative T2 across structural, intensity, and perceptual metrics. In 14 subjects with 215 expert landmarks, the synthesis-anchored registration reduced the mean target registration error from 6.27 to 5.86 mm, matching a strong classical NiftyReg baseline (5.85 mm) while yielding a diffeomorphic deformation field in every subject. The contribution is not a gain in registration accuracy but the integrated volume itself, which inside the ultrasound field of view it reflects the intraoperative post-resection state. This provides the surgeon with an MRI-like update of the operative field with potential for integration into surgical-navigation workflows.
Authors: Qiaoyu Chen, Bing Zhang
Abstract: Adapting foundation models to detect generative artifacts via gradient-based updates compromises their intrinsic representations. Under optimization on limited samples, models overfit to local domain shortcuts. Fine-tuning massive weights on specialized data introduces erroneous inductive biases, inducing a measurable $\mathcal{L}_2$ norm perturbation in the high-dimensional feature space -- a phenomenon we formalize as anchor drift. Amplified by nonlinear activations, this drift impairs zero-shot forgery detection across unseen domains.We propose a gradient-free methodology reframing detection from binary classification to an out-of-distribution (OOD) anomaly measurement problem. Treating a frozen foundation model as a stable coordinate system, we establish an absolute natural anchor on the real visual manifold by analytically decoupling statistical and semantic deviations, derived from attention-weighted spatial moments and orthogonal projection of perceptual inconsistencies. Evaluated in an extreme zero-shot setting (trained on face forgeries, tested on universal Text-to-Image generations), our method significantly outperforms gradient-optimized paradigms. Backpropagation-free forward passes and linear solvers enable hardware-agnostic, edge-deployable calibration with minimal latency. Furthermore, the Sherman-Morrison formula unlocks instantaneous online learning against novel attacks and enables privacy-preserving federated collaboration via covariance delta transmission.
Authors: Sumit Chongder (Indian Institute of Technology Jodhpur)
Abstract: Noisy intermediate-scale quantum (NISQ) processors are entering an early fault-tolerance regime where full quantum error correction carries prohibitive resource costs, yet lightweight error detection can meaningfully improve algorithmic success rates. Existing compilation and error-detection toolchains treat these concerns in isolation, with no principled way to balance detection overhead against success probability under latency constraints. We present an integrated hardware-aware compilation and data-driven quantum error-detection (QED) framework that jointly optimises qubit mapping, SWAP insertion, and syndrome-schedule placement via a noise-weighted cost function and a learned multi-objective scheduler. Simulation experiments on an HPC cluster using GPU-accelerated density-matrix simulation (NVIDIA cuQuantum SDK) across VQE, phase-estimation, and Grover benchmarks, three noise profiles, and circuit sizes of 6-20 qubits (depths 10-160), show that joint co-design raises algorithmic success probability by up to 68 percent (95 percent CI: 60 percent to 76 percent) over SABRE on an 8-qubit VQE instance with post-selection.
Authors: June-Woo Kim, Kangwook Jang, Minu Kim, Hyunju Lee
Abstract: Ambulatory neck-surface acceleration enables non-invasive monitoring of vocal hyperfunction, yet robust biomarkers for its subtypes remain limited. This study investigates the NeckVibe Challenge dataset to distinguish phonotraumatic (PVH) and non-phonotraumatic (NPVH) from healthy controls. We propose a hierarchical feature engineering framework comprising: (i) static, (ii) dynamic, (iii) ratio-based, (iv) coupling features capturing source filter interactions. While univariate statistical analysis shows strong separability for PVH but limited significance for NPVH, our machine learning pipeline, tailored for high-dimensional feature integration, identifies that coupling features are crucial for both tasks. We achieve an AUC of 0.891 for PVH and 0.728 for NPVH, suggesting that while PVH is near-linearly separable, NPVH discrimination benefits from modeling non-linear feature interactions.
Authors: Jingxi Li, Neerja Aggarwal, Laurent Gudemann, Shivansh Rao, Vishal Vinod, Tom E. Bishop, Ziv Attar
Abstract: Smartphone telephoto cameras are approaching a "telephoto physics wall": as pixel pitches shrink toward sub-0.5 micron, the optics remain limited by geometric aberrations, leading to diminishing returns on resolution. Traditional Image Signal Processors (ISPs) cannot eliminate these aberrations, because they operate through local, stage-wise processing with no explicit model of the underlying point spread function (PSF). We demonstrate how a learning-based Neural ISP for image restoration, trained on the underlying degradations, inverts what stage-wise pipelines cannot, turning small-pixel designs into a net advantage. We investigate this through a controlled simulation of a representative telephoto module, evaluating five configurations (0.35--0.75 micron pixel pitch). The aperture is scaled proportionally to keep per-pixel SNR and diffraction spot size fixed, thereby isolating geometric aberration and spatial sampling. While the traditional ISP improves only modestly with smaller pixels, the Neural ISP scales substantially: at 0.35 micron} it reaches 745 cycles/mm MTF50 (vertical), a 2.5--3x resolution improvement over the traditional ISP, and LPIPS improves significantly from 0.244 to 0.151 while traditional results stay comparatively flat. In a low-SNR extension (15 dB per-frame bursts at 0.35 micron), a multi-frame Neural ISP recovers performance close to the bright-light single-frame baseline, whereas a multi-frame traditional ISP shows no meaningful improvement -- indicating that traditional pipelines at small pixels are bottlenecked by uncorrected PSF blur rather than by noise. These results point to a design philosophy in which Neural ISPs enable high-resolution telephoto modules by correcting residual optical aberrations rather than requiring increasingly complex optics.
Authors: Shengxian Ding, Haonan Gao, Pangpang Liu, Xinyuan Tian, Yize Zhao
Abstract: Electronic health records (EHR) pose large-scale multi-disease modeling problems in which many outcomes are rare and strongly influenced by shared risk factors. While modern approaches achieve strong predictive performance, they often treat diseases independently or rely on black-box architectures, offering limited insight into how risk factors organize disease risk and little principled uncertainty quantification. We introduce a Bayesian hypergraph inference framework that reframes multi-disease modeling around latent, risk-factor-modulated disease pathways. Risk factors act on hyperedges, latent disease subsets with shared risk patterns, allowing diseases to participate in multiple distinct pathways and enabling interpretable, higher-order structure beyond pairwise associations. A repulsion prior encourages parsimonious and identifiable structure, while posterior inference provides calibrated uncertainty over both disease groupings and risk-factor influence. To enable scalable inference on large EHR datasets, we develop a structured variational inference algorithm that preserves logical dependencies among hyperedge existence, disease membership, and pathway-level effects. Experiments on simulated data and UK Biobank demonstrate stable and interpretable disease pathway structure, well-calibrated uncertainty, improved estimation for rare diseases, and competitive predictive performance.
Authors: Ziheng Chen, Jiali Cheng, Zezhong Fan, Hadi Amiri, Diyuan Wu, Gabriele Tolomei, Yang Zhang
Abstract: Generative recommendation formulates next-item prediction as autoregressive generation over semantic ID (SID) sequences derived from users' historical interactions, making modern recommender systems structurally similar to large language models (LLMs). As privacy and safety concerns grow, these systems increasingly require concept unlearning to remove sensitive or harmful concepts associated with items. However, existing LLM unlearning methods cannot be directly applied to generative recommendation. Unlike word tokens with explicit semantics, SIDs are abstract identifiers that are often shared by both forget and retain items, leading to severe conflicts between concept removal and recommendation utility preservation. To address this challenge, we propose TRACER, an end-to-end concept unlearning framework based on token reassignment. Rather than directly suppressing shared SIDs, TRACER reassigns concept-related items to alternative tokens that better facilitate forgetting while minimizing side effects on retained items. We further introduce a coherence regularizer to preserve semantic consistency among retain items during unlearning. Experiments on real-world recommendation datasets demonstrate that TRACER effectively removes target concepts while substantially better preserving recommendation utility than existing unlearning baselines.
Authors: B\'er\'enice-Alexia Jocteur (ICJ, PSPM), V\'eronique Maume-Deschamps (ICJ, PSPM), Pierre Ribereau (PSPM, ICJ)
Abstract: Transfer learning addresses the challenge of transfering knowledge from one domain to another. Traditional transfer learning focuses on adapting models trained on a source domain (with a lot of observations) to improve performance on a target domain (with few observations). In this work we consider the case of a model shift and we focus on the transfer learning applied to a causal forest namely HTERF. This causal forest aims to estimate the Conditional Average Treatment Effect (CATE). The approach considered is the offset method presented by Wang (2016) adapted to a causal context. This method relies on the use of intermediate models in order to estimate the offset between source and target distributions. Our main result is a bound on the CATE error of HTERF on target depending on the error of the intermediate models. Simulation studies show the good performances of this approach in different settings on simulations and on a real-world dataset.
Authors: Maryam Zaman, Muhammad Khuram Shahzad
Abstract: Adversarial attacks pose a serious and growing threat to Machine Learning (ML)-based Intrusion Detection Systems (IDS), where imperceptible perturbations to network flow features can systematically mislead classifiers into accepting malicious traffic as benign. The IDS-Anta framework partially addresses this through Z-score normalization, Singular Value Decomposition (SVD), and Multi-Armed Bandit (MAB) classifier selection with Thompson Sampling, yet its classifier pool lacks sufficient structural diversity for robust adversarial resistance. This work introduces IDS-Anta++, which incorporates XGBoost and LightGBM gradient boosting models into the ensemble and wraps the extended pool in a three-layer black-box defense: Isolation Forest anomaly screening, median feature smoothing, and six-way majority voting. Experiments conducted on CIC-IDS-2017, CEC-CIC-IDS-2018, and CIC-DDoS-2019 under both Fast Gradient Sign Method (FGSM) and Zeroth Order Optimization (ZOO) attacks confirm detection accuracy above 99% on clean data, with measurable robustness gains under adversarial conditions relative to the baseline IDS-Anta configuration.
Authors: Kai A. Horstmann, Ethan Lin, Alice A. Robie, Jennifer J. Sun, Kristin Branson
Abstract: Agentic AI tools offer a promising path to automating software development bottlenecks in scientific research pipelines, particularly for stages that take domain experts days to months to build, where scientists care about correctness and robustness, not implementation details. We present an empirical study of general-purpose coding agents on a fly optogenetics data-to-discovery pipeline. We assess agents on tasks substantially larger than existing benchmarks, datasets orders of magnitude bigger, and evaluation criteria grounded in domain expert standards. We show that agents can solve several individual pipeline stages, suggesting stage-level automation is tractable. By analyzing agents' code iterations, we show that they struggle most when there is not a pre-defined criterion to iterate on, and they must instead use their scientific judgment to assess their current solution, a key open challenge. Mirroring scientific practice, they sometimes attempt visual inspection of intermediate outputs for self-evaluation, but largely fail to interpret what they see or act on it appropriately. Solving the end-to-end pipeline correctly requires stringing together successes across all pipeline stages, and this is beyond agents' current abilities. We identify challenges largely absent from existing benchmarks, including computational resource management and generalization to large held-out data collections. Finally, we distill principles for constructing scientific tasks and rigorous evaluation criteria for open-ended problems.
Authors: Mujtaba Farhan, Maheep Chaudhary
Abstract: Large language models (LLMs) have demonstrated remarkable reasoning abilities on mathematical and multi-hop planning tasks. The CoCoNuT (Chain of Continuous Thought) paradigm~\cite{hao2024coconut} extends this by enabling models to reason in latent space, exploring multiple reasoning paths simultaneously rather than committing to a single chain early on. However, we identify a limitation we term the \textbf{concept bottleneck}. At each reasoning pass, intermediate hidden states are overwritten, causing the model to lose critical facts computed in earlier steps as reasoning depth increases. We observe this empirically. On HotpotQA, vanilla CoCoNuT (10.4\% EM) fails to improve over the CoT baseline (11.0\% EM), and performance degrades with curriculum depth on GSM8K. To address this, we propose \textbf{AGCLR} (Adaptive Gated Continuous Latent Reasoning), which augments CoCoNuT with a \textit{Gated Concept Stream}. A persistent residual memory maintained across all reasoning passes, controlled by three learned gates: a \textit{write} gate that commits intermediate facts to memory, a \textit{read} gate that retrieves relevant prior states, and a \textit{forget} gate that prunes irrelevant context. Evaluated on GSM8K, HotpotQA, and ProsQA using GPT-2 as our base model, AGCLR achieves consistent improvements across all types of datasets. With the performance gap compounding as curriculum depth increases, directly resolving the concept bottleneck. Code available at https://anonymous.4open.science/r/JJJJ/README.md
Authors: Nick Teutschmann (Institute of Geodesy and Photogrammetry, ETH Zurich, Switzerland), Laura Crocetti (Institute of Geodesy and Photogrammetry, ETH Zurich, Switzerland), Fanny Lehmann (ETH AI Center, Switzerland), Leonardo Trentini (Institute of Geodesy and Photogrammetry, ETH Zurich, Switzerland), Benedikt Soja (Institute of Geodesy and Photogrammetry, ETH Zurich, Switzerland)
Abstract: Displacement time series from Global Navigation Satellite Systems (GNSS) are essential for a wide range of applications, including monitoring tectonic crustal deformations and investigating the different stages of the earthquake cycle. Machine learning methods have proven promising for GNSS applications; however, most remain fully supervised. This creates a bottleneck as labeled data are scarce, even though large amounts of unlabeled GNSS data are freely available. We present GNSS-FM, a self-supervised foundation model for daily GNSS time series. The model uses a dual-stream input combining displacement and velocity-like increments, and is pretrained using a masked latent prediction objective with vector-quantized targets adapted from wav2vec 2.0, with several modifications for geodetic data. Pretrained on data from over 17,000 globally distributed GNSS stations, an analysis of the learned codebook suggests that the representations capture the main signal types in GNSS displacement data, including seismic offsets, tectonic drift, and seasonal patterns. The foundation model is later fine-tuned on two downstream tasks, namely 90-day displacement forecasting and seismic step localization, where it outperforms strong task-specific baselines in both cases. These results show that self-supervised pretraining is a promising approach for GNSS time series analysis.
Authors: Venkatesh Kolluru, Rajat Shinde, Abdelhak Marouane, Caden Helbling, Deepak Shah, Othneil Drew, Iksha Gurung, Manil Maskey, Rahul Ramachandran
Abstract: Floods are among the most destructive natural hazards, and their increasing frequency under climate change makes satellite-based inundation mapping essential for disaster response. Geospatial foundation models pretrained on satellite archives offer geographic transferability, but their operational reliability across diverse, unseen events remains uncharacterized. Here we deploy Prithvi-EO-2.0 across 19 out-of-distribution flood events (2017-2025) spanning six continents, eight climate zones, and six flood mechanisms, validating against two independent reference products. Detection accuracy depended jointly on land cover and flood type, with cropland yielding the highest agreement (IoU=52%) and riverine events the strongest detection (F1=0.69), while tree cover and built-up areas showed near-zero detection (IoU=4%) regardless of flood mechanism. Dual-reference validation revealed that apparent model error partly reflects definitional inconsistency between reference products rather than detection failure. Iterative pipeline testing identified 23 failure modes, with pipeline engineering dominating initial error over model capacity. These findings establish environment-dependent detection boundaries for operational satellite flood mapping.
Authors: Paul Lezeau, Yiannis Fam, Anthea Monod, Yue Ren
Abstract: We propose a new framework for optimisation over non-Archimedean spaces inspired by Berkovich geometry. Specifically, we introduce polydisc spaces, which consists of products of closed balls over a non-Archimedean field. These spaces retain the rigid hierarchical structure of the non-Archimedean field whilst acquiring many desirable geometric features absent from it. We show that metric trees embed naturally into these spaces, demonstrating their capacity to represent hierarchical data. We study their metric geometry, establishing properties such as geodesic uniqueness, confirming their comaptibility with classical optimisation techniques. We further propose a class of real-valued functions given by linear combinations of absolute values of polynomials. These functions admit a piecewise polynomial description along geodesics and satisfy a universal approximation property. We formulate a theory of optimisation on polydisc spaces: we prove existence of minimisers and explore algorithms for finding them. We provide an accompanying open-source Julia library implementing the core objects and optimisation procedures introduced.
Authors: Daniil Lopatkin, Maksim Mitrofanov, Stanislav Rakovsky, Aleksandr Khalikov
Abstract: MOLOT (Malicious Operational Logic Observation Transformer) is a static malicious-code detection system designed for SAST setup where package metadata, maintainer history, and dynamic execution traces may be unavailable or unreliable. The system represents source code as behavior sequences derived from static call graphs, includes an explanation stage that ranks suspicious behavior activities and maps them back to source-code locations. The approach is evaluated on Python and JavaScript packages from PyPI and npm, compared with opensource detection tools, and validated under product constraints including runtime, memory use, and false-positive rates observed in a real moderation workflow. We also release Open Malicious-Code Bench, a public benchmark for reproducible evaluation of malicious-package detection methods. The results show that static behavior-sequence modeling can provide accurate, explainable, and deployable malicious-code detection for modern DevSecOps workflows.
Authors: Ratnadeep Das, Atri Chatterjee, Sitikantha Roy
Abstract: Alzheimer's disease is a progressive neurodegenerative disorder, and its progression varies substantially across patients. Existing work aims to forecast patients' future cognitive state, with minimal focus on reconstructing the state from past visits. Furthermore, in current research, quantifying predictive uncertainty remains underexplored and relies on costly modalities such as MRI, PET, and CSF, limiting their deployment in resource-limited settings. In this research, our primary objectives are: First, bidirectional prediction of cognitive scores from irregular visits to present the complete disease trajectory. Second, to enable interpolation and extrapolation capabilities to assist clinicians in informed prognostic decision making, and third, to provide a well-calibrated uncertainty estimate for all predictions, and finally, to achieve the objectives using the modalities available during routine visits. We propose a unified framework, GNOVA: A GRU-Neural ODE Variational Autoencoder. The architecture combines a Gated Recurrent Unit encoder and a Neural ODE decoder within a variational autoencoder framework. In our work, we forecast the CDR-SB and MMSE Scores. The GRU encoder allows for any number of inputs at any time point. The Neural-ODE decoder performs continuous estimation, allowing interpolation and extrapolation at any desired time point. The Variational autoencoder allows for uncertainty estimation in predictions. We worked with 1,727 patients from the ADNI dataset over 10 years; the model achieved mean absolute errors of 1.35 and 2.28 for CDR-SB and MMSE scores, respectively, without requiring any neuroimaging or biomarker data. Feature-ablation studies revealed that age, BMI, and APOE4 status were strong predictors. The proposed framework enables the reconstruction of incomplete patient histories and the anticipation of future cognitive states.
Authors: Anish Laddha, Nitesh Pradhan, Gaurav Srivastava
Abstract: Large language models (LLMs) are widely used as judges for evaluating model outputs, but their high cost, latency, and opacity limit scalability. We introduce SLMJury, a framework for evaluating small language models (SLMs) as judges across two paradigms: closed-ended binary correctness and open-ended quality scoring. We benchmark 16 SLM judges (0.6B-14B parameters) from four model families across ten benchmarks: eight closed-ended tasks spanning mathematical, scientific, and general reasoning (N=64,824 judgments per configuration), plus SummEval and MT-Bench for summarization and conversational scoring. We formalize judging as a budget-conditioned function and study five dimensions. Four findings emerge. (1) The overthinking effect is domain-dependent: for most judges quick 10-token verdicts match or beat extended reasoning on mathematical judging (by 2-7% where they help), while reasoning wins on general tasks by up to 23%. (2) Domain generalization separates model families, with math-to-general accuracy gaps ranging from under 10% to nearly 40%. (3) Closed-ended and open-ended judging draw on different capabilities: the best binary judge (Phi-4) drops to rank 9 on MT-Bench, while reasoning-trained models invert this ordering. (4) Under the Reflect-Critique-Refine (RCR) debate protocol, multi-agent debate degrades accuracy across all tested configurations, whereas the top judges resist six adversarial personas with <=0.55% variance. Reliable automated evaluation does not require large proprietary models, yet no single SLM dominates. The leaderboard is available at https://anishh15.github.io/SLMJury/, and our framework code and pip package are publicly available at https://github.com/anishh15/SLMJury and https://pypi.org/project/slmjury/.
URLs: https://anishh15.github.io/SLMJury/,, https://github.com/anishh15/SLMJury, https://pypi.org/project/slmjury/.
Authors: Hoang-Loc La, Truong-Thanh Le, Amir Taherkordi, Phuong Hoai Ha
Abstract: Recently, the efficiency of Large Language Models (LLMs) deployment has become a critical concern in practical applications. While post-training quantization (PTQ) and structural pruning are established techniques for reducing memory footprint and inference latency, most existing PTQ approaches optimize quantization errors on a per-layer basis, overlooking how errors accumulate and propagate through the network, often resulting in suboptimal solutions. Traditional pipelines also tend to apply pruning and quantization in isolation or sequentially, further compounding sub-optimality. We introduce a novel end-to-end framework that addresses these limitations in two key ways. First, we propose a novel mixed-precision PTQ strategy that directly minimizes global error propagation across the entire model, rather than isolating layer-wise errors. Building on this, we develop a novel joint optimization approach that simultaneously learns structural pruning decisions and mixed-precision quantization policies within a unified search space. Extensive experiments show that, at ultra-low precisions (1-3 bits), our quantization method reduces WikiText perplexity by up to 21% compared to state-of-the-art (SoTA) weight-activation quantization baselines. Against leading weight-only quantization methods, it achieves up to 59% and 85% lower perplexity on WikiText and C4, respectively. Compared to the SoTA joint pruning-and-quantization techniques, our proposed method delivers superior perplexity and reasoning performance at ultra-low bits.
Authors: Nishant Subramani, Palash Goyal, Yiwen Song, Mani Malek, Yuan Xue, Tomas Pfister, Hamid Palangi
Abstract: As language models improve and become increasingly deployed to solve a variety of tasks, trustworthiness becomes essential. Calibration is a good proxy for trust: well-calibrated confidence estimates help inform the risk versus reward tradeoff when trusting a specific model output. Unfortunately, even as models improve, they remain poorly calibrated, often biasing towards overconfidence. Additionally, calibration can be gamed: a policy that always predicts the base rate is perfectly calibrated, but completely uninformative. To resolve this, we develop a new metric, expected utility renormalized by the oracle (EURO), that balances calibration and informativeness. We also propose a general-purpose activation-based confidence, utility, and trust estimation protocol (ACUTE) to appropriately adjudicate uncertainty. The ACUTE protocol provides flexible, sample-efficient, and compute-efficient confidence estimators for 3 tasks including multiple choice question answering, tool-calling, and scientific document summarization across 6 models from 4 model families. ACUTE outperforms strong baselines on EURO, while maintaining low calibration error. Taken together, our work shows that equipping LLMs with the ACUTE protocol can improve calibration, utility, and trustworthiness in numerous settings.
Authors: Trevor Campbell, Jonathan H. Huggins, Kyurae Kim, Charles C. Margossian
Abstract: Black-box variational inference (BBVI) is a methodology for posterior approximation that relies on stochastic optimization. In practice, the stochastic optimizers underpinning BBVI generally require extensive problem-specific tuning, which undermines its promise as a truly "black box" inference algorithm. However, over the past decade, many new adaptive stochastic optimization algorithms have been developed that reduce or remove entirely the need for tuning. In this work, we investigate this new collection of adaptive methods in the context of BBVI, with the goal of establishing the current state of the art in tuning-free optimization-based inference. In particular, we present a large-scale empirical evaluation of 56 stochastic gradient-based optimization algorithms applied to 1092 Bayesian inference optimization problems, involving over 550,000 individual optimization runs and 15 core-years of compute. The optimization algorithms we evaluate are chosen to represent a wide spectrum of recent approaches and the benchmark problems are chosen to span a range of difficulty, with posterior target dimension 1-10^4, condition number 1-10^8, and a range of variational families. Our results show that no single method dominates, but running a selection of 5 algorithms suffices to reliably get close to the best-possible observed performance. We thus provide a strong baseline for applications where expert tuning is not possible and for comparison when developing new stochastic optimization algorithms.
Authors: Leonard Traeger, Enas Khwaileh, Andreas Behrend, George Karabatis
Abstract: Schema matching, a critical task for integrating data from diverse sources, seeks to identify correspondences between columns across different schemas. In multi-table holistic schema matching, columns with similar semantic meaning may reside in tables with different contexts due to heterogeneous schema designs, where similarity-based techniques are inadequate. The focus of this paper is exploiting referential context into schema matching by introducing RACT learning and prediction, a self-supervised framework enabling the probabilistic retrieval of candidate tables for source columns to constrain relevant column candidates. Experiments demonstrate that this approach outperforms similarity-based baselines on matching multi-table schemas. In subsequent matching experiments, constraining the column search space via top-t tables improves both average matching precision and completeness by up to +70%.
Authors: Najmul Hasan, Prashanth BusiReddyGari
Abstract: We measure how well current large language models coordinate as multiple agents sharing a common resource, using the dining philosophers problem as a clean test bed. Across 630 episodes spanning seven models and three philosopher counts, four frontier closed-source systems reach mean reward 0.45 to 0.87 and Mistral-Small 24B reaches 0.83 to 0.99, while Qwen3-14B reaches 0.13 to 0.35. We then ask whether group relative policy optimization (GRPO) on rollouts from the task itself can close the gap and find that it cannot: a Welch's t-test on per-episode reward at five philosophers gives p = 0.66 and a Hedges' g of -0.11, with no statistically significant change at ten or fifteen philosophers either. Two further observations qualify the result. The training reward of both 8B and 14B runs peaked at step nine and then declined, so the default saved checkpoint at step 15 is strictly worse than several earlier ones. The four-term reward we use admits a degenerate maximum at zero actions, which DeepSeek-R1-Distill-Qwen-7B and Mistral-Small 24B at five philosophers both inhabit, with mean reward 1.0 and 0.83 respectively at zero meals. The bottleneck for an open-weight 14B model on multi-agent coordination is not training compute but training methodology: reward shaping that does not collapse to a no-action maximum, checkpoint discipline that does not depend on the final step, and curriculum across problem scales.
Authors: Takafumi Kanamori, Yushi Hirose, Shohei Yamamoto
Abstract: We study component recovery and mixing-matrix estimation from unlabeled finite mixtures whose observable distributions share the same latent components but have unknown mixing weights. The main identifying signal is marginal independence: each component is assumed to be independent on at least one coordinate pair, but no labels, clean component samples, or mixing weights are observed. We first prove a structural result for product components: under linear independence of the univariate marginals, any independent affine combination of the components must coincide with a single component. We then extend this principle to observable mixtures and show that, under full-rank and no-cancellation conditions, marginally independent affine combinations recover the corresponding latent components. When every component is independent on some coordinate pair, all components are identifiable, and the mixing matrix is recoverable under the stated completion conditions. Finally, we propose a Product-Marginal Maximum Mean Discrepancy (PM-MMD) estimator over affine combinations of the observable mixtures and prove uniform convergence and stability under approximate marginal independence. This framework also separates the empirical roles of the assumptions: irreducibility is, in general, not directly testable from the unlabeled mixtures alone, whereas marginal independence yields a candidate-level diagnostic through held-out PM-MMD. Controlled and flow-cytometry experiments show when marginal independence provides a useful recovery signal. In the reported multi-component comparisons, condition-aware representative selection stabilizes PM-MMD and improves recovery relative to clustering, factorization, and pairwise mixture-proportion baselines using the same unlabeled mixtures.
Authors: Fuheng Zhao, Pawel Liskowski, Zihan Li, Benjamin Han, Puxuan Yu, Varich Boonsanong, Dimitris Tsirogiannis, Anupam Datta
Abstract: With the advent of Large Language Models (LLMs), many database systems introduced semantic operators that enabled analytical queries over unstructured data (e.g. text, images, videos). Semantic operators typically incur high inference costs and latencies making semantic (AI) SQL queries challenging to apply on large scale datasets. At the same time, their semantic nature leads database engines to treat them as black boxes, making AISQL queries difficult to optimize. In this paper, we introduce Larch, a framework for optimizing the execution of semantic filters in AI SQL queries. Larch was inspired by two key observations: i) the high latency of semantic operators leaves significant room for computationally-heavy runtime optimization techniques, ii) unstructured data are typically accompanied by semantic information in the form of embeddings allowing for efficient semantic comparisons between AI_FILTER prompts and data values. Based on these two key observations, we present two Larch variants: Larch-A2C and Larch-Sel. Larch-A2C encodes arbitrary semantic filters expression tree using an embedding-augmented Gated Graph Neural Network and formulates the filter evaluation order as a Markov decision process. In contrast, Larch-Sel leverages a supervised learning model to predict filter selectivities, subsequently applying dynamic programming to find a near-optimal evaluation order for each input row. Evaluated across diverse real-world datasets and comprehensive synthetic workloads, both Larch variants always outperform existing semantic filter optimization techniques in terms of token usage. Our results demonstrate that Larch is robust across diverse workloads, reducing total token cost overhead by 3x-19x compared to Palimpzest and Quest.
Authors: Jiaxin Dai, Zehang Wei, Jiamin Yan, Xiang Xiang
Abstract: This paper presents our system description for the 2nd Workshop on Multimodal Augmented Generation via MultimodAl Retrieval (MAGMaR). Addressing the critical challenges of cross-lingual long-video comprehension, strict persona adherence, and zero-hallucination temporal grounding, we propose a fully training-free, two-stage cascaded Video RAG pipeline. Our architecture strategically decouples semantic retrieval from cognitive logical reasoning through a modality-aware division of labor. In the first stage, a high-recall semantic pre-fetching module employs dense retrieval using only high-fidelity visual summaries and global text descriptions, explicitly isolating noisy modalities (e.g., OCR and ASR) to maintain a pristine vector space. In the second stage, an Adaptive, Iterative, and Reasoning-based (A.I.R.) filtering agent, powered by a commercial Large Language Model (LLM), performs fine-grained cognitive reranking. The agent re-incorporates full multimodal contexts to enforce strict logical alignment with user personas, effectively pruning semantically similar but logically irrelevant candidates. Finally, a Prompt Sculpting mechanism constrains the generator to synthesize the distilled subset into strictly formatted JSON responses with exact chunk-level citations. Evaluated on the RAG track, our resource-aware approach shows exceptional precision in both information retrieval and persona-conditioned generation.
Authors: Kisung You
Abstract: Optimal transport couplings are probabilistic objects, while many learning pipelines require deterministic maps. In Euclidean space, barycentric projection converts a coupling into a map by taking conditional expectations, but on a Riemannian manifold curvature and cut loci make this operation nontrivial. We develop a framework for barycentric projections of transport couplings on Riemannian manifolds. The intrinsic projection maps each source point to the conditional Fr\'echet mean of its destination law and is shown to be the best deterministic representative under squared geodesic loss. The corresponding minimum value is an integrated conditional Fr\'echet variance, which vanishes exactly for map-induced couplings and therefore defines a conditional-variance Monge defect. We also study a tangential log-exp projection, prove its Euclidean exactness, its compatibility with Brenier-McCann maps in the Monge case, and its interpretation as the first unit Riemannian gradient update for the intrinsic objective. For discrete couplings, both constructions decompose row-wise into weighted Fr\'echet mean and log-exp problems. Experiments on spherical data, synthetic SPD data, and real EEG covariance matrices support the proposed division of roles: the intrinsic projection is the variational representative, while the tangential projection is a useful local displacement surrogate.
Authors: Yunbei Xu
Abstract: We prove a variance-aware pointwise majorizing-measure theorem for centered Gaussian processes. Classical generic chaining characterizes the scalar quantity $\mathbb E\sup_{x\in T}X_x$; the theorem here gives a simultaneous high-probability envelope for the entire field. For an ambient prior $\mu$, the envelope at $x$ is governed by a pointwise Fernique-Talagrand functional \[\Phi_\mu(x):=\int_0^{4\sigma(x)}\sqrt{\log\frac{1}{\mu(B_d(x,\varepsilon))}}\,d\varepsilon,\] together with the corresponding Gaussian tail term. The theorem provides a reusable field-level refinement of classical generic chaining and a Gaussian-process counterpart of pointwise empirical-process bounds for deep neural networks. We also record a Bayesian algorithmic lower envelope from the interactive Fano/data-processing principle. For a known prior $\pi$, an observation channel, and a concrete estimator $\widehat t(Y)$, the lower bound is expressed through the exact ghost small-ball mass $\mathbb E_{Y\sim Q}\pi(B_d(\widehat t(Y),\Delta))$, rather than a worst-case covering number. In Gaussian location experiments, comparison decoders convert Bayes location error into lower bounds on decision-aligned Gaussian ranges. We then construct an elementary weighted-basis example separating the usual Fano relaxation for a fixed prior, the Bayesian algorithmic lower envelope, the pointwise Gaussian envelope on the selected subatlas, and the full-class minimax risk/global Gaussian scale. Together, these results show that algorithmic lower bounds provide local-geometric certificates of pointwise complexity for fixed estimators in overparameterized ambient classes, precisely in regimes where classical minimax theory becomes either too coarse or oracle-dependent.
Authors: Catarina G Belem, Shang Wu, Hongyu Yao, Mark Steyvers, Sameer Singh, Padhraic Smyth
Abstract: Humans increasingly turn to Language Models (LMs) in ways that shape beliefs and drive decisions, including discussing, rewriting, and summarizing information from scientific articles, news, and medical reports. However, in these domains, where how confidently a claim is expressed matters, little is known about whether LMs faithfully preserve it. In this work, we investigate certainty distortion in LMs, defined as meaningful changes in expressed certainty when semantic content is preserved. We propose an LM-based evaluation metric that is consistent with population-level judgments of certainty. Using this metric, we characterize certainty distortion across different sizes and families of models in the context of scientific and medical communication tasks. Our results show that certainty distortion affects up to 75\% of LM outputs and is systematically asymmetric in rewriting tasks with most LMs being 1.5-2$\times$ more likely to increase the expressed certainty than to decrease it. These effects can compound over repeated paraphrasing: in the medical domain, claude-haiku-4-5 increases certainty of 20\% examples after a single iteration, increasing to 40\% after five iterations. Prompt-based interventions reduce overall certainty distortion but do not eliminate it. Together, these findings reveal a general bias toward inflating expressed certainty, with direct implications for users who rely on LMs in high-stakes domains.
Authors: Ousmane Amadou Dia
Abstract: Reinforcement Learning from Human Feedback via Proximal Policy Optimization often suffers from policy mode collapse, brittle exploration loops, and distribution drift. This paper introduces Variational Proximal Policy Optimization (\(\textsc{VP}_2\textsc{O}\)), a particle-based variational inference framework that maps policy optimization to Stein Variational Gradient Descent within a Mixture-of-Experts architecture. By leveraging functional kernels over localized expert prototypes alongside an expert orthogonalization loss, \(\textsc{VP}_2\textsc{O}\) introduces a geometry-based proximal-control mechanism that can reduce reliance on fixed clipping or KL schedules. Our results on a 33B/4B sparse Mixture-of-Experts model show several improvements across complex reasoning benchmarks, establishing a \(+\mathbf{179}\) ELO gain on Codeforces and a \(\mathbf{32\%}\) reduction in token count on AIME mathematical reasoning tasks.
Authors: Mattia Forlesi, Alfonso Esposito, Ivan Zyrianoff, Alessandro Marzani, Marco Di Felice
Abstract: Cracks are a critical indicator of building health, and early stage identification is fundamental to prevent harmful damages. Advances in deep learning (DL), particularly convolutional neural networks (CNNs), have enabled scalable solutions for automated crack detection. However, CNN performance strongly depends on the availability of large and diverse datasets, which is particularly challenging for complex surfaces such as masonry. Collecting sufficient real data is time-consuming, while publicly available datasets may not be adequate. To address this limitation, we explored generating synthetic crack data, which complements real data and improves training effectiveness. The real dataset consists of masonry crack images collected from buildings in Bologna and surrounding areas. In contrast, the synthetic dataset was generated using a crack overlay tool that adds cracks to background images in a controlled orientation and placement. The real dataset was used to train several DL architectures, to identify the best-performing model (InceptionV4) employed for experiments with generated data. Six training scenarios were tested in InceptionV4 by varying the ratio of real and synthetic data, with evaluation performed on a test set composed of real images using the F1-score and mean Intersection over Union (mIoU) metrics. Results show that training on synthetic data plus a modest addition of 20% real data achieves results comparable to training on real data only. Moreover, the 20/80 scenario (synthetic/real) achieved an 76% F1-score and 80% mean IoU, outperforming the real-only case. As can be seen, the method demonstrates the potential of synthetic data to reduce collection efforts while enhancing crack detection accuracy.
Authors: Dimitrios Michail, Eleni Saka, Ioannis Giannopoulos, Ioannis Papoutsis
Abstract: We present OSMGraphCLIP, a CLIP-style geospatial representation model that learns global location embeddings from freely available OpenStreetMap (OSM) data. OSMGraphCLIP represents geographic environments as heterogeneous graphs of typed OSM features, preserving the topological and semantic relationships among roads, buildings, land-use regions, and points of interest. A multi-scale graph encoder captures both fine-grained local structure and broader landscape composition, and supervises a spherical-harmonics location encoder through a contrastive alignment objective. We evaluate OSMGraphCLIP across a diverse suite of downstream geospatial regression and classification tasks spanning climate, ecology, socioeconomic indicators, public health, land cover, biodiversity, and wildfire forecasting, and show that structured OSM data alone supports strong global location representations across domains. OSMGraphCLIP matches or exceeds satellite-based baselines on the majority of benchmarks, with the most pronounced advantage on socioeconomic and public-health tasks, where OSM's explicit semantic annotation of the built environment encodes patterns of human activity that satellite pixels can only capture indirectly. On ecological and environmental tasks, the model remains closely competitive with imagery-based methods despite using no Earth observation data. Qualitative analysis confirms that the learned embeddings organize geographic space coherently, recovering biome boundaries, urban gradients, and tropical--temperate distinctions from map topology alone.
Authors: Donghao Huang, Tomas Drietomsky, Benjamin Barrett, Zhaoxia Wang
Abstract: Financial transaction processing requires extracting structured merchant information from noisy, abbreviated bank transaction strings at scale. Our current production system, a LoRA-fine-tuned LLaMA 3.1-8B, achieves 96.95% F1 on this task, but deploying 8-billion-parameter models imposes prohibitive memory, latency, and cost constraints. To identify more efficient alternatives, we conduct a deployment-focused study of 24 model variants spanning four model families: Gemma 3 (270M, 1B, 4B), Qwen 3.5 (0.8B, 2B, 4B), Aya (3.35B), and LLaMA 3.1-8B, systematically evaluating accuracy, inference throughput, training cost, and hardware behavior to assess production suitability. Our findings show that: (1) reproducing the LLaMA 3.1-8B fine-tune with a LoRA rank of 8 achieves 96.75% F1, only 0.20 points below the rank-32 baseline; (2) Qwen 3.5 4B with JSON-only prompting reaches 96.60% F1, within 0.35 points of the 8B baseline while using roughly half the parameters; (3) the 0.8B Qwen 3.5 model achieves 94.75% F1, matching models 2.5-4x larger and offering an attractive latency-accuracy trade-off; (4) chain-of-thought fine-tuning generally improves F1 by 0.3-1.8 points across most models, although Qwen 3.5 4B performs best with direct JSON-only prompting; and (5) Qwen 3.5 Think and Nothink training templates produce nearly identical results (F1 differences <0.004), indicating that explicit reasoning supervision is unnecessary for structured extraction tasks. We further deploy all 14 fine-tuned sub-8B models as Databricks Model Serving endpoints and observe that benchmark performance transfers reliably to production, with an average F1 change of only 0.8 points. Aya 3.35B, based on the Cohere2 architecture, is the sole exception, exhibiting a 3-5 point decline under serving conditions. Based on these results, we provide deployment recommendations across accuracy and latency requirements, ...
Authors: Khanh D. Nguyen, Hung T. Ho, Chinh T. Nguyen, Thanh Q. Duong, Linh D. Le, Duy M. H. Nguyen, Vien A. Ngo, An T. Le
Abstract: Vision-Language-Action (VLA) policies are typically shipped as Python/PyTorch stacks that assume a workstation-class GPU, a mismatch for the hardware on which robots actually run. We present vla.cpp, a portable C++ inference runtime built on llama.cpp. To our knowledge, it is the first ggml-class engine to natively serve the flow-matching and diffusion VLA inference pattern, in which a cached vision-language prefix is consumed by a cross-attending action expert integrated over several solver steps. A single runtime serves seven architectures spanning five backbone and four action-head families behind one request/response protocol, with each model packaged as a self-contained bundle. On LIBERO-Object, the engine matches a state-of-the-art checkpoint to within one episode out of 200, and runs BitVLA at 100% success in 1.3 GiB of memory. The same bundle runs unchanged across three hardware tiers, from a consumer GPU down to an 8 GB embedded module. A cross-hardware roofline analysis shows that batch-1 VLA inference is compute-bound, so utilization rather than bandwidth is the deployment lever; an IMMA ladder GEMM derived from this analysis cuts BitVLA per-step latency by 4.5x. We then frame an on-robot stress test on an ALOHA arm that isolates the latency constraint under which a learned VLA must replan against a moving target on the hardware it was trained for. Code, demo videos, and the reproducible benchmark scaffold are available at https://fai-modelopt-tech.github.io/vla-cpp.github.io/.
URLs: https://fai-modelopt-tech.github.io/vla-cpp.github.io/.
Authors: Yasushi Sakai, Allen Song, Kent Larson
Abstract: Majority voting over sampled answers is the dominant unsupervised aggregator for multi-sample LLM inference. We show that piping the signals every sample carries into a delegation-based aggregator (Propagational Proxy Voting, PPV) yields an unsupervised consensus rule that beats majority on MMLU-Pro by +1.5 pp overall and +2.24 pp on the non-trivial subset (paired McNemar p ~ 1.0e-14, n = 8,099). Majority discards two free signals every sample carries: within-group letter entropy and between-group reasoning geometry. PPV exposes two per-voter levers that consume exactly these signals: WHEN (how much weight a voter keeps on its own pick) and WHOM (how it splits the remainder across peers). We drive WHEN with letter entropy and WHOM with per-question-centered embedding cosine. The method needs no gold labels and no auxiliary training: per question, we partition 128 sampled generations into 16 groups, compute each group's letter-level semantic entropy and reasoning embedding centroid, and feed both into a stochastic delegation matrix whose stationary distribution selects the consensus answer. We walk through an example in which PPV overturns a clear 10-6 majority for the wrong letter: the 10-voter majority cluster is geometrically incoherent (mean within-cluster cosine -0.02) while the 6-voter minority is tight (+0.26), so propagated delegation mass concentrates on the minority's answer even though entropy alone would keep the majority ahead. We further report delegation strategies with negative results that constrain the design space for unsupervised LLM aggregation: no within-question ensemble of confidence modes closes the oracle gap.
Authors: Aamir H. Dar, Prakhar Kumar Sonkar, Neeraj Kumar Sharma
Abstract: A new fractional ambiguity function (NFrAF) derived from the fractional Fourier transform is introduced as a generalization of the classical ambiguity function. The fundamental analytical properties of the NFrAF, including symmetry, marginality, and Moyal type identities, are rigorously established. After verifying its ability to detect and localize monocomponent and multicomponent linear frequency modulated (LFM) signals, the NFrAF is integrated into a convolutional neural network based machine learning framework for signal classification. Owing to its superior time frequency resolution and localization, the NFrAF provides a more informative input representation than conventional methods such as the spectrogram and classical ambiguity function. Experimental results on simulated datasets demonstrate consistent improvements in classification accuracy, highlighting the effectiveness of the proposed representation for data driven signal analysis.
Authors: O\u{g}uzhan Ercan
Abstract: Vision Transformers operate on fixed patch grids, which can introduce phase-dependent instability for dense prediction: changing the patch partition can change the token evidence available to a pixel, especially near boundaries. We formalize patch-grid phase as a nuisance variable and propose Phase Marginalization, a post-hoc marginalization method that evaluates structured patch-grid phases, inverse-aligns dense outputs, and aggregates them in the original image coordinate system. The central variant, Uniform Phase Marginalization with K = 4, is training-free and improves over the canonical K = 1 baseline across measured segmentation, depth, and local matching settings. In a controlled Cityscapes experiment, Uniform Phase Marginalization provides a modest compute-matched advantage over generic shift-based four-forward test-time augmentation (TTA) (+0.31 mean Intersection-over-Union over the strongest tested generic row). A scaling study further shows that K = 4 is a practical cost-accuracy trade-off: K = 8 is essentially unchanged and K = 16 adds little accuracy at much higher latency. These results position patch-grid phase as a measurable nuisance variable and Phase Marginalization as a simple diagnostic and post-hoc marginalization baseline for dense ViT prediction.
Authors: Yi Duan, Zhao Yang, Jiwei Zhu, Ying Ba, Chuan Cao, Bing Su
Abstract: DNA cis-regulatory elements (CREs) such as enhancers control gene expression levels. Accurately predicting regulatory activity from DNA sequences is valuable but challenging, as it requires understanding complex biological regulatory processes. Existing methods typically regress activity scores from sequences in a black-box manner, limiting both interpretability and regression performance. Meanwhile, large language models (LLMs) benefit from explicit reasoning processes, yet directly applying LLMs to raw DNA sequences performs poorly. In this paper, we bridge this gap by introducing R3LM, a framework that teaches LLMs reasoning-informed regression on regulatory DNA through structured biological knowledge. Specifically, we design a biologically grounded data format that structures DNA's regulatory information for improved LLM understanding, and construct CRE-ReasonBench, the first dataset that associates DNA sequences and activity scores with mechanistic reasoning traces. Through two-stage training that first teaches LLMs reasoning over structured biological information then performs regression, R3LM achieves state-of-the-art performance on enhancer prediction across three cell types, outperforming both LLMs with raw sequence input and specialized DNA models while providing interpretable mechanistic explanations. We expect R3LM as an interpretable reward model that can effectively assist biologists in CRE design. Code is available at https://github.com/DuanYi516/R3LM.
Authors: Yonatan Kurniawan (Department of Physics and Astronomy, Brigham Young University, Provo, UT, USA), Logan D. Williams (Lawrence Livermore National Laboratory, Livermore, CA, USA), Amit Samanta (Lawrence Livermore National Laboratory, Livermore, CA, USA), Ilia Nikiforov (Department of Aerospace Engineering and Mechanics, University of Minnesota, Minneapolis, MN, USA), Daniel Schwalbe-Koda (Department of Materials Science and Engineering, University of California, Los Angeles, CA, USA), Mark K. Transtrum (Cross Stream Consulting, Springville, UT, USA), Ellad B. Tadmor (Department of Aerospace Engineering and Mechanics, University of Minnesota, Minneapolis, MN, USA), Vincenzo Lordi (Lawrence Livermore National Laboratory, Livermore, CA, USA), Vasily V. Bulatov (Lawrence Livermore National Laboratory, Livermore, CA, USA)
Abstract: Interatomic potentials (IPs) enable large-scale atomistic simulations beyond the reach of first-principles methods, but their predictive reliability depends critically on the selection of training data, quantified uncertainty, and model expressiveness. Active learning (AL) provides a principled framework for constructing efficient and accurate IPs, yet most strategies reduce parameter uncertainty without explicitly accounting for the specific material properties being predicted. The information-matching (IM) approach addresses this limitation by requiring that the selected training data provide at least as much parameter space information as needed to achieve prescribed uncertainty targets for selected quantities of interest (QoIs). Here, we apply IM to develop bespoke IPs specifically tailored for predicting plastic strength in metals. Due to the high computational cost of simulating plastic strength, we employ an indirect IM strategy that targets inexpensive intermediate QoIs that correlate with strength. The IM method enables precise parameter constraints with minimal training data, yielding precise predictions for both the intermediate QoIs and plastic strength. Yet, model error remains a key limitation, and a post hoc uncertainty inflation correction provides a viable means to mitigate this limitation. These findings illustrate both the promise and limits of uncertainty-aware AL for predicting complex material properties.
Authors: Markus Knauer, Valentin Gieraths, Tai Mai, Samuel Bustamante, Alin Albu-Sch\"affer, Freek Stulp, Jo\~ao Silv\'erio
Abstract: Enabling robots to understand and execute tasks from natural language commands while maintaining data efficiency remains challenging. Foundation models such as vision-language-action (VLA) and vision-language models (VLMs) provide intuitive interaction channels but require extensive data; task-parameterized imitation learning achieves data efficiency but lacks natural language grounding. This work bridges this gap through a modular architecture combining task-parameterized kernelized movement primitives (TP-KMPs) with pretrained VLMs. During learning, skills are acquired from 2 to 5 kinesthetic demonstrations, and the VLM generates skill schemas describing each skill's parameters and preconditions. During execution, the VLM interprets commands to select skills, reason about parameter bindings, and create novel behaviors through covariance-weighted composition. When no skill or composition suffices, the system identifies capability gaps and requests targeted demonstrations, all without fine-tuning. Validation on a 7-DoF manipulator shows success rates of 73.3%-100% in scenarios requiring skill selection, composition, and active learning.
Authors: Bilal Hussain, Muhammad Bilal, Tan Li, Haris Pervaiz, Xiao Tang, Qinghe Du, Fawad Ahmad, Muhammad Azhar, Jun Zhang
Abstract: In sixth-generation (6G) networks, billions of cyber-physical systems (CPSs) - autonomous vehicles, smart grids, industrial robots, and remote-surgical equipment - will run over ultra-reliable low-latency slices, collapsing the gap between a remote breach and physical harm to milliseconds, a budget perimeter firewalls and centralised security operations centres cannot meet. This survey reframes 6G CPS security as a closed-loop, AI-native pipeline that senses at the multi-access edge computing (MEC) tier, using minute-scale call-detail records (CDRs) for baseline learning and sub-millisecond RAN/Open-RAN (O-RAN) telemetry for the latency-critical path. It decides locally with compressed deep models, mitigates network-wide via SDN, NFV, and O-RAN controllers, and retrains through federated learning (FL) and digital-twin (DT) replay. We formalise a per-slice, tail-bounded latency contract on the sense, detect, and mitigate stages, enforced at a slice-dependent tail percentile (p99 for safety-critical URLLC slices). Organising 128 peer-reviewed studies (2017-2026) under a PRISMA 2020 protocol, we (i) map the 6G/CPS threat surface to MITRE ATT&CK and a CDR-observable feature space; (ii) unify edge anomaly detection and DDoS classification across twelve datasets and statistical, graph, and transformer models; (iii) synthesise SDN/NFV/O-RAN primitives into one closed-loop reference architecture; (iv) treat FL, large language models (LLMs), DT, post-quantum cryptography (PQC), zero-trust architecture (ZTA), and explainable AI as cross-cutting enablers, not parallel pillars; and (v) consolidate open problems into five directions spanning data, latency, trust, standardisation, and evaluation.
Authors: Xian Chen, Ruobing Bai, Pan Peng
Abstract: Subgraph counting is a fundamental problem in graph analysis. Motivated by practical scenarios where graph analytics are performed on subgraphs induced by selected vertices -- rather than on the entire graph -- and by growing privacy concerns, we initiate the study of differentially private range subgraph counting (DPRSC). The goal is to privately count occurrences of a fixed pattern graph within induced subgraphs defined by multi-dimensional attribute ranges. Unlike classical point counting, subgraph counting is inherently nonlinear and exhibits high sensitivity: a single edge modification can affect many subgraph occurrences. We present the first efficient algorithms for DPRSC with small additive error. Our approach introduces a subgraph projection that reduces DPRSC to weighted orthogonal range counting, enabling the use of range trees and local sensitivity estimation to achieve accurate private query answering. We complement our algorithms with matching lower bounds, obtained by reducing reconstruction attacks to DPRSC and leveraging discrepancy theory. In particular, we show that any differentially private algorithm for DPRSC must incur additive error exponential in the dimension. Empirical evaluations demonstrate that our algorithms significantly outperform baseline methods in accuracy and runtime while maintaining strong privacy guarantees.
Authors: Qian Zhang, Meixia Lin
Abstract: Matrix completion has been extensively studied for real-valued data, but existing methods are often limited in handling categorical variables. We propose LCMC, a double-loop optimization framework for categorical matrix completion via latent factorization based on a binary tensor representation. In this setting, each categorical entry is encoded as a one-hot vector along a third tensor mode, thereby preserving its discrete, non-ordinal nature. The outer loop adaptively estimates the latent dimension by iteratively updating it with feedback from the inner loop, while the inner loop reconstructs the categorical matrix through tensor factorization, supported by a corresponding theoretical analysis. To further improve scalability and robustness, we introduce enhancements including a split-merge-refine strategy and an adaptive data reduction technique. Experiments on synthetic and real-world datasets in viral quasispecies reconstruction, demonstrate that LCMC achieves superior accuracy and efficiency compared to existing methods.
Authors: Mariyam Khan, Shohei Shimizu, Thong Pham
Abstract: We study causal discovery from observational data when some variables are hidden and the data-generating process follows a location-scale noise model (LSNM). Existing methods that handle hidden confounders typically assume additive noise, but in practice, causes often modulate not just the mean but also the variance of their effects. We prove that acyclic directed mixed graphs (ADMGs) satisfying a bow-free condition are identifiable under LSNM with hidden variables, establishing the first identifiability result for causally insufficient models beyond noise additivity. We further provide sufficient conditions for identifying causal direction even when the bow-free assumption is violated. Our two-stage algorithm, LSNM-UV, is sound and complete, and experiments demonstrate improved performance over additive baselines on heteroscedastic data.
Authors: Hyogon Ryu, Jeonghwan Kim, Yewon Lim, Chaeun Lee, Jeongwook Kim, Donghoon Ham
Abstract: Evaluating LLM-powered interactive social agents is challenging because socially relevant behaviors depend not only on isolated outputs, but also on prior interactions, social roles, and downstream actions. Existing methods typically allow a target agent to act freely in an environment and then score the resulting trajectory. However, this passive setup can miss capabilities that only become observable under specific social circumstances; for example, conflict handling may remain untested if no disagreement arises. We propose Online Agent-as-a-Judge, a situation-generating evaluation framework for interactive social agents. Online Agent-as-a-Judge deploys an in-world evaluator agent that interacts with the target agent through the environment's native dialogue and action protocol, actively eliciting situations relevant to the evaluation criteria. The resulting trajectories provide evidence for assessing both immediate responses and subsequent behavior. In a life-simulation environment with $32$ designer-authored social criteria, Online Agent-as-a-Judge improves criteria coverage and agreement with human labels, yielding more reliable evidence-grounded evaluations of behaviors that passive methods can leave unobserved.
Authors: Moo K. Chung, Anass B. El-Yaagoubi, Hernando Ombao
Abstract: Most statistical and machine learning methods for directed interactions focus on pairwise effects among variables. Even existing cyclic models represent feedback primarily through node-level dependencies, making large-scale recurrent organization difficult to estimate and compare. This limitation is particularly acute in biological and neural systems, where interactions are highly recurrent and involve many overlapping cycles. We introduce a variational framework for statistical inference on cyclic interactions. Directed interactions are represented as edge flows on a simplicial complex and evolved under an energy-minimizing dynamical system. The resulting dynamics separate transient interaction components from persistent harmonic flows, yielding a low-dimensional cycle space that captures stable recurrent organization. Rather than enumerating individual cycles, the proposed framework represents cyclic interactions as elements of a Hilbert space, enabling projection, averaging, comparison, and population-level statistical inference. We establish theoretical properties of the harmonic projection, including characterization of the cycle space, variance reduction, and population inference. Simulations demonstrate substantially improved recovery of cyclic structure in dense recurrent systems compared with existing directed-interaction methods. Applied to resting-state fMRI from 400 human subjects, the framework reveals reproducible large-scale cyclic organization that is not detectable through edgewise averaging. These results provide a scalable statistical framework for studying recurrent interactions in high-dimensional dynamical systems.
Authors: Nathanael Bosch
Abstract: Filtering-based probabilistic numerical solvers for ordinary differential equations (ODEs) have been established as a flexible and efficient simulation framework with built-in numerical uncertainty quantification. However, problems that are both stiff and high-dimensional remain a challenge, as current methods are either stable and have cubic cost in the ODE dimension, or scale linearly at the expense of stability. In this paper, we close this gap and develop probabilistic ODE solvers that are both stable and scalable. We propose two complementary strategies. First, we develop a matrix-free update step that uses Jacobian-vector products, iterative linear solvers, and stochastic covariance estimation to enable linear scaling, all while retaining stability. Second, we propose iterative re-linearization to further improve stability without sacrificing scalability, turning probabilistic ODE solvers into fully implicit methods. We evaluate the proposed approaches on a range of stiff and high-dimensional problems and demonstrate improved stability and scalability over established probabilistic solvers.
Authors: Maciej Wielgosz, Stefano Puliti, Rasmus Astrup
Abstract: We present SegmentAnyTreeV2, a sensor- and platform-agnostic framework for semantic and instance segmentation of forest point clouds. The model combines a serialization-based Point Transformer v3 backbone with a lightweight semantic head and a tree-focused cross-attention mask decoder. Semantic predictions restrict instance decoding to tree-class voxels, while instance-aware query initialization, one-to-many seed supervision, and asymmetric mask scoring improve separation in dense and structurally complex stands. We further introduce FOR-instance v3, an expanded benchmark comprising 427 scenes and 26,496 annotated trees across diverse biomes, forest structures, and LiDAR platforms. On the FOR-instanceV2 test split, SegmentAnyTreeV2 achieves 90.5% precision, 80.2% recall, 85.0% F1, 90.7% coverage, and 87.6% semantic mIoU, outperforming previous learning-based methods in both instance detection and mask completeness. Zero-shot evaluation on independent sites further demonstrates strong cross-domain generalization.
Authors: Arati Uday Kamat
Abstract: Algorithmic trading systems on decentralised exchanges (DEXs) reject most candidate tokens they evaluate. The counterfactual outcome of rejected candidates (what would have happened had the system entered) is rarely measured. This paper introduces Post-Rejection Follow-up Sampling (PRFS). A separate tracking subsystem samples each rejected token's price and liquidity at a configurable cadence, over a horizon of up to twenty-four hours. PRFS produces the data needed to evaluate filter precision against actual market outcomes of rejected candidates, not against synthetic backtest reconstructions. The methodology, data architecture, and deposit format are described in Section III. The companion dataset contains 67,000 forward-outcome observation rows across 2,997 rejection events spanning 457 unique mints, collected over a continuous eight-day window (2026-04-10 to 2026-04-19, UTC). Approximately 55 percent of rejection events receive at least one forward observation; coverage at the mint level is complete. The principal binding constraint on downstream classification is per-event horizon density, not event-level coverage. PRFS is dataset-independent. It generalises to any algorithmic decision system in which rejections substantially outnumber executions.
Authors: Hyunjin Cho, Youngji Roh, Jaehyung Kim
Abstract: As large language models are increasingly deployed in high-stakes settings, there is a growing need for tools that audit not only model outputs but also the internal computations that produce them. Circuit analysis is a central approach in mechanistic interpretability, but it is typically target-conditioned, explaining a single prompt paired with a chosen completion. This target-conditioned setup can obscure heterogeneity across a model's continuation distribution. We introduce distribution-level unsupervised feature discovery, which clusters sampled continuations using both semantic content and sequence-level mechanistic attributions, without manually specifying target outputs. Our method represents each continuation with a semantic embedding and a prefix-to-continuation attribution signature, then optimizes a rate-distortion objective that trades off semantic coherence, mechanistic consistency, and cluster granularity. Across clustering and steering analyses, the discovered clusters expose continuation modes that single-view baselines miss and provide interventional evidence that cluster signatures correspond to actionable mechanistic factors. Overall, our approach complements circuit analysis and behavioral evaluation by providing a scalable audit of the mechanisms underlying a model's continuation distribution.
Authors: Aueaphum Aueawatthanaphisut
Abstract: Acute asthma risk assessment requires rapid interpretation of respiratory sounds, oxygenation, airflow limitation, speech ability, work of breathing, mental status, and response to reliever therapy. Conventional audio-only classifiers can detect wheeze-like patterns but often lack transparent clinical reasoning and safe escalation logic. This paper presents AeroSpectra Sentinel, a client-side research prototype and decision-support workflow that combines short-time Fourier transform (STFT) respiratory sound analysis, lightweight machine-learning screening, clinical feature fusion, and a five-stage large language model (LLM) prompt-chaining process. The workflow separates signal acquisition, preprocessing, acoustic feature extraction, ML screening, clinical guardrails, and FHIR-ready reporting. We evaluated the audio screening component on a public respiratory sound dataset containing 1,211 WAV recordings from five labels. Using a stratified subset of 584 recordings, a random forest achieved 91.10% binary accuracy and 78.69% F1-score for asthma-vs-non-asthma screening, while a feature-based multilayer perceptron achieved 89.73% accuracy and 78.26% F1-score. A compact log-spectrogram CNN achieved 73.29% accuracy and 55.17% F1-score. Multiclass classification achieved 77.40% accuracy and 77.23% macro-F1. To evaluate the LLM workflow, we conducted a scenario-based audit on 40 simulated clinical vignettes comparing one-shot prompting, prompt chaining, prompt chaining with guardrails, and prompt chaining with guardrails plus FHIR schema validation. The guardrail-plus-schema variant achieved the strongest simulated safety and documentation consistency. AeroSpectra Sentinel is intended as a research prototype, not as a diagnostic medical device or clinically validated risk-assessment product.
Authors: Mahmut Osmanovic, Isac Paulsson, Teddy Lazebnik
Abstract: Reliable wildlife monitoring is essential for ecology and conservation, yet many existing methods, such as tagging, capture, and close-range observation, can alter the very behaviors they aim to measure. Aerial robots offer a scalable alternative, which has shown promising performance in multiple studies. Nonetheless, existing approaches typically lack behavioral awareness, rely on fixed heuristics, or require real-world training data that are costly, impractical, and ethically difficult to obtain. As a result, there remains no general framework for adaptive drone-based monitoring that can both preserve ecological validity and scale across species, behaviors, and robotic platforms. In this study, we introduce a disturbance-aware reinforcement-learning-based framework for heterogeneous aerial robotic fleets that enables autonomous wildlife tracking while explicitly minimizing behavioral disruption. We couple a zoologically grounded simulation environment with fitted animal movement models derived from real trajectory statistics, and train control policies using a reward formulation that captures the trade-off between observation quality and disturbance risk. Across three species (pigeon, jackal, and spur-winged lapwing) with distinct ecologies and motion patterns and four increasingly strategic behavior models common in nature, the learned policies consistently surpassed currently used rule-based baselines and generalized across monitoring tasks, animal dynamics, and drone types. These results establish disturbance-aware learning as a viable foundation for non-invasive autonomous wildlife observation, opening a path towards scalable, ethically responsible, and scientifically reliable robotic monitoring in ecology and conservation.
Authors: Alessandro Montenegro, Shihao Li, Puze Liu, Alberto Maria Metelli, Jan Peters
Abstract: Enabling humanoid robots to operate in complex, dynamic environments remains a critical challenge, fundamentally limited by the ability to navigate robustly, safely, and accurately. While reinforcement learning with velocity-commanded policies has achieved remarkable robustness in humanoid locomotion, this approach lacks explicit control of the foothold placement, leading to unsafe behavior, such as stepping onto human feet, or imprecise navigation, hindering the following manipulation task. Conversely, explicit foothold-tracking policies offer a promising alternative by directly being commanded with target foot poses. However, existing approaches are often limited by unrealistic state assumptions, compromising real-world deployment, or they are part of staged pipelines, making them tied to specific downstream tasks. In this work, we introduce a novel, lightweight framework for training general-purpose 3D foothold-tracking policies. By dynamically providing footstep support through a goal sampler, this method enables the learned policy to be agnostic to specific terrains. Our new target representation effectively mitigates challenges arising in the real world, such as noisy and inaccurate pose estimation and foot contact estimation. Designed for direct real-world transfer, our policy acts as a standalone low-level controller that can be seamlessly paired with various high-level foothold generators. We demonstrate the effectiveness of our framework through extensive experiments in simulation and in the real world. By coupling our policy with different upstream planners, we achieve natural and accurate locomotion in challenging settings, paving the way for loco-manipulation tasks in complex environments.
Authors: Guangyu Meng, Mingzhe Li, Erin Wolf Chambers
Abstract: Understanding and comparing structures in scalar fields is a central challenge in scientific visualization, with applications ranging from feature analysis to temporal and structural comparison. The Morse-Smale (MS) complex provides a natural representation by decomposing a scalar field into regions induced by gradient flow. However, existing approaches typically rely on graph-based representations, capturing relationships between critical points while discarding region-level structure. In this work, we represent the MS complex as a hypergraph, where critical points form nodes and regions define hyperedges. We introduce MS-COOT, a co-optimal transport distance that jointly computes correspondences between critical points and regions. This formulation enables explicit region-to-region matching within a distance-based framework, allowing identification of region-level events such as splitting and merging. We instantiate this framework with domain-specific components, including a hypernetwork function encoding critical point-region relationships, persistence-based probability measures that emphasize topologically significant features, and a sample cost term that incorporates critical point attributes. We evaluate MS-COOT on five datasets spanning 2D simulations, 3D surface meshes, and volumetric data. Our results show that MS-COOT captures region-level structural changes that are not reflected by graph-based distances, while achieving strong performance in downstream tasks such as classification and resolution discrimination.
Authors: Alexander DeRieux, Walid Saad
Abstract: Quantum reinforcement learning (QRL) is a promising approach to learn effective decision strategies across several applications with stochastic environments. Instead of directly modeling the random variables that govern these environments, existing QRL architectures indirectly approximate environment behavior by estimating expected outcomes, which limits their expressive power and adaptive potential. Overcoming such challenges requires a novel QRL approach that exploits the distributional nature of quantum computers to directly model environment random variables as quantum state distributions. Hence, in this paper, a novel framework dubbed quantum-native reinforcement learning (QnRL) is proposed. QnRL is a distributional RL framework that learns conditional distributions naturally in Hilbert space via superimposed and entangled quantum states. Thus, QnRL can directly model the behavior of stochastic learning environments via the natural properties of quantum systems. QnRL accomplishes this via a novel, proposed quantum amplitude kickback (QuAK) algorithm that enables comparing the $n$-th power of the $m$-th moment of multiple superimposed distributions. It is theoretically proven that a conditional action policy distribution is distilled from the moments of a quantum generative model entirely within Hilbert space via QuAK, and optimized via QnRL. This complex distribution composition is also shown to provide extra dimensions for expressing environment correlations that are unknown to purely classical and classically-sampled quantum distributional models. Experimental results across diverse environments show that QnRL achieves up to $82.9\%$ higher evaluation scores, with up to $94.3\%$ fewer parameters on average, more accurately estimates the expected return for unseen observations, and better adapts to varying stochastic conditions compared to the baseline.
Authors: David Thorstad
Abstract: A key premise in leading arguments for existential risk from artificial intelligence is that malfunctioning artificial agents could not be easily shut down. This motivates the catastrophic shutdown problem of ensuring that agents can be shut down before they cause an existential catastrophe. A range of arguments and theorems are offered to suggest that solving the catastrophic shutdown problem is difficult, bolstering arguments for existential risk and motivating a search for solutions to the catastrophic shutdown problem. This paper argues for two conclusions. First, existing arguments do not establish the difficulty of solving the catastrophic shutdown problem. Second, concern for the catastrophic shutdown problem has led to technical solutions that impose a high safety tax on model performance.
Authors: Se Yoon Lee, Yonghyun Kwon, Jae Kwang Kim
Abstract: Externally controlled survival trials are increasingly used when concurrent randomized controls are infeasible, particularly in oncology and rare-disease settings with time-to-event endpoints. We target an average-treatment-effect-on-the-treated (ATT)-type marginal hazard-ratio estimand, comparing treatment with counterfactual control in the treated trial population, and estimate it using inverse-probability-weighted (IPW) Cox regression. Valid inference is challenging because IPW Cox regression depends on the weights through both event contributions and risk-set averages, making flexible machine-learning nuisance estimation difficult to incorporate directly. Building on machine-learning-assisted generalized entropy calibration (MEC) by Lee and Kim (2026), we propose MEC-Cox for ATT-weighted IPW Cox regression. The method begins with normalized source-propensity-score odds weights for external controls and then applies Bregman calibration to balance cross-fitted prognostic summaries between external controls and treated trial patients. The calibration basis may include control-survival predictions, Cox linear predictors, penalized-survival-model predictions, or other prognostic-score summaries. MEC-updated weights therefore play a dual role as source-transport and prognostic-score balancing weights. We establish consistency, characterize a calibration-induced efficiency gain, and develop a stacked sandwich variance estimator. Simulations show that MEC-Cox can reduce bias, increase efficiency, and improve coverage through flexible machine-learning-assisted adjustment.
Authors: Prateek Kumar Sikdar
Abstract: Standard transformers apply self-attention uniformly at every layer and token, regardless of whether the input requires dynamic cross-token interaction. We propose CHIAR-Former (Chiaroscuro Attention), a 4-layer hybrid transformer that routes each token to one of three operators - DCT spectral mixing, RBF kernel mixing, or full self-attention - based on per-token spectral entropy, a theoretically justified complexity signal. Through systematic ablation on WikiText-103, we discover routing collapse: the router consistently rejects RBF in favour of DCT and attention, revealing that spectral mixing and dynamic attention are complementary and sufficient. A purpose-designed DCT+Attention-only variant achieves Val PPL 36.54 on WikiText-103 - a 45% improvement over a full-attention baseline (PPL 66.62) at 62.5% fewer attention FLOPs. We extend evaluation to WikiText-2, IMDB sentiment classification, and synthetic ListOps operations, establishing a clear operating regime: CHIAR-Former excels on large-scale naturalistic text where token diversity supports spectral specialisation, while full attention retains an edge on small datasets and synthetic pattern-matching tasks. These findings - both the wins and the losses - together define when and why spectral routing earns its keep.
Authors: Kale-ab Abebe Tessera, Andras Szecsenyi, Cameron Barker, Alexander Rutherford, Davide Paglieri, Aidan Scannell, Henry Gouk, Elliot J. Crowley, Tim Rockt\"aschel, Amos Storkey
Abstract: As language models are increasingly deployed as autonomous agents, they must coordinate with others over long horizons in open-ended interactive tasks. Yet existing evaluations rarely test these demands together, instead emphasising single-agent tasks, short interactions, or highly structured multi-agent settings. We introduce $alem$, a JAX-based benchmark for open-ended multi-agent coordination built on Craftax-like dynamics. Alem embeds procedurally generated coordination tasks, soft specialisation, communication, and controllable coordination difficulty into a long-horizon survival world with exploration, crafting, trading, and combat. We evaluate $13$ modern LLMs zero-shot within homogeneous teams, with trained MARL agents as reference points. Current LLM agents remain far from solving alem, averaging only ~6% normalised return, but their failures are not uniform. On the hardest coordination setting, zero-shot Gemini-3.1-Pro-High approaches MARL agents trained for one billion steps, while GPT-5.4-High achieves strong base-task reward but much lower coordination reward. This contrast shows that individual task competence does not imply coordination competence. Ablations show that communication is the largest contributor to coordination, while memory and reasoning help when used to maintain multi-step plans. Overall, our results identify coordination as a distinct bottleneck for frontier LLM agents, separate from single-agent capabilities. Alem makes this bottleneck measurable and provides a controlled testbed for developing agents that communicate, allocate roles, and execute shared plans. Code is available at https://github.com/alem-world/alem-env.
Authors: Ayush Singh, Umang Goyal, Ankur Dahiya
Abstract: Reinforcement learning with verifiable rewards (RLVR) has become a dominant paradigm for improving the reasoning capabilities of large language models (LLMs). Recent tree-based methods such as TreeRPO extend flat trajectory sampling with tree-structured rollouts to obtain dense, step-level reward signals without a separate process reward model. However, not all trees are equally informative: trees where all leaves succeed, all leaves fail, or the policy already predicts the reward distribution contribute little to gradient updates, wasting compute. We introduce CATPO (Critique-Augmented Tree Policy Optimization), which diagnoses and addresses this waste at the tree level. CATPO first scores each tree via a tree informativeness score, F(T), combining leaf-outcome diversity with policy-reward decorrelation at zero extra compute. For dead-wrong trees where all branches fail, CATPO applies critique-guided healing: it locates the shallowest failure point, generates a natural-language critique, and grafts refined continuations to recover training signal. Finally, an informativeness-weighted loss scales each tree's gradient contribution by its normalized score, concentrating parameter updates on the most informative trees while preserving overall gradient magnitude. Experiments on Qwen2.5-Math-1.5B trained with the MATH dataset show that CATPO achieves 37.5% macro accuracy across four benchmarks (AIME24, MATH-500, OlympiadBench, and MinervaMath), improving over TreeRPO by 1.9% and GRPO by 4.8%.
Authors: Wuyang Zhou, Yuxuan Gu, Giorgos Iacovides, Yuning Qiu, Qibin Zhao, Danilo Mandic
Abstract: Modern language models represent text using discrete token-level embeddings, which forces recurring multi-token patterns to be learned implicitly across Transformer layers. Both Over-tokenized Transformers and Engram attempt to address this limitation by explicitly incorporating multi-token (n-gram) memories. However, they rely on separate hash tables for each n-gram order, which introduces hash collisions and prevents nested n-grams from sharing the underlying latent structures. To address these issues, we propose Tensorized Engram (TN-gram), a compact memory module that represents tensorized n-gram embeddings through shared factors in the Canonical Polyadic (CP) form. TN-gram learns shared token-position factors together with order-absorption vectors to encode the embeddings of different n-gram order. Comprehensive experiments demonstrate that TN-gram matches or even outperforms Engram-style n-gram modules while requiring much fewer parameters.
Authors: Steven Golob, Sikha Pentyala, Martine De Cock
Abstract: Synthetic data is increasingly promoted as a privacy-preserving substitute for releasing sensitive tabular records, yet its central adversarial threat ("reconstruction", the recovery of an individual's hidden attribute values from a synthetic release and a handful of known quasi-identifiers) has been studied only in scattered, hard-to-compare settings. We present the first systematization of reconstruction (equivalently, attribute inference) attacks on de-identified and synthetic tabular data. We contribute a taxonomy that organizes attacks by the structure they exploit; the most systematic empirical evaluation to date, pitting fourteen attacks against nine synthetic data generation (SDG) methods across five benchmark datasets; and a set of new attacks that fill gaps in the taxonomy, one of which (CoBP-RA) is the strongest attack we measure. Crucially, we introduce a methodology for interpreting what attack success means: a memorization test that distinguishes reconstruction of the population distribution from memorization of training records, and a reduction that places reconstruction and membership inference on a single comparable scale. Our findings: the choice of SDG method governs risk far more than the choice of attack; differential privacy protects mainly at small budgets ($\varepsilon\lesssim1$), above which protection plateaus, bounded by the synthesizer's capacity rather than its noise; de-identification methods are the most exposed; and most reconstruction reflects distributional structure rather than memorization, concentrating individual risk on atypical records. The attacks and infrastructure are externally validated by our first-place finish among all red teams in the 2025 \textit{National Institute of Standards and Technology} (NIST) Collaborative Research Cycle.
Authors: Francesco Bullo
Abstract: We recast predictive coding as continuous-time proximal gradient descent applied to a regularized maximum-a-posteriori (MAP) objective. We study first a single-level problem and then a multi-level hierarchy. For the single-level problem, we show that proximal gradient descent is precisely a leaky firing-rate network: the membrane leak, the effective recurrent matrix, the local synaptic drive, and the static nonlinearity all follow from one optimization principle, and the resulting circuit is the one proposed by Rao and Ballard. The prior selects the nonlinearity through its proximal operator, and the likelihood precision sets the gain on the observation. For the hierarchy, we show that a classical variable-splitting relaxation of the deep MAP problem yields hierarchical predictive coding as the interconnection of local and distributed solvers. In probabilistic modeling terms, this relaxation replaces the directed generative chain by an undirected Markov random field whose node potentials are the level-wise priors. Each level then applies its own activation function, namely the proximal operator of its prior.
Authors: Ilia Zaznov, Atta Badii, Julian Kunkel, Alfonso Dufour
Abstract: This study addresses the optimal execution of large stock sell programs by introducing TT-DAC-PS (Twin-Target Deterministic Actor-Critic with Policy Smoothing), a deterministic actor-critic architecture that combines twin exponential-moving-average critic targets with pessimistic min backup, TD3-style target policy smoothing noise, delayed actor updates, and conservative Q regularisation to curb overestimation. Exploration uses Ornstein-Uhlenbeck (OU) noise with a hybrid schedule: deterministic episode-wise decay, variance-guided adjustment based on recent reward dispersion, and a Soft Actor-Critic (SAC)-style temperature that is learned and mapped to the noise scale. The environment integrates Almgren-Chriss (AC) trade impact with Limit Order Book (LOB) prices and volumes, normalised state features, per-step volume participation caps, and a utility-based reward. The trade execution algorithm is applied to LOB data for ten U.S. stocks. Performance is assessed against reinforcement-learning baseline algorithms, including Proximal Policy Optimisation (PPO), Soft Actor-Critic (SAC), and Advantage Actor-Critic (A2C), as well as alternative trade execution algorithms, including Time-Weighted Average Price (TWAP), Volume-Weighted Average Price (VWAP), and AC. The proposed model consistently reduces mean implementation shortfall percentage with competitive variance, outperforming classical baselines and standard reinforcement-learning benchmark models.
Authors: Yilin Zheng, Haowei Wang, Szu Hui Ng, Enlu Zhou
Abstract: Bayesian optimization (BO) is a widely used approach for black-box optimization that uses a Gaussian process (GP) as a surrogate and guides sequential evaluations via an acquisition function, with the ultimate goal of locating the global optimum $\mathbf{x}^{\star}$. To align with this goal, information-based acquisition functions such as Predictive Entropy Search (PES) model $\mathbf{x}^{\star}$ as a random variable and reduce the entropy of its distribution, but approximating this distribution via traditional GP posterior sampling is computationally expensive. To address this limitation, we leverage Conditional Diffusion Models (CDMs) to efficiently approximate the distribution of $\mathbf{x}^{\star}$ and develop BO-inherent training strategies for CDMs. Motivated by the structural properties of the CDM-learned distribution, we further develop an acquisition strategy termed Diffusion-based Mode Seeking (DMS) to guide the sequential evaluation. We establish a sub-optimality guarantee for the CDM-learned distribution and demonstrate through extensive experiments that DMS outperforms standard BO baselines.
Authors: Xunye Tian, Zhijian Zhou, Liuhua Peng, Feng Liu
Abstract: Data-adaptive two-sample testing assesses if two samples come from the same distribution, using a discrepancy learned from the data (e.g., via kernel-based feature representations). Such methods typically rely on data splitting to decouple learning from testing and control type I error. However, this paradigm is ill-suited to few-shot settings with severe sample-size imbalance: abundant reference samples are available, while only a handful of query samples arrive. In this paper, we show how this imbalance can be leveraged constructively. Using abundant reference data, we learn reference-dependent representations that summarize salient structure of the reference distribution and provide informative signals for detecting departures. We incorporate a collection of representation families that capture both global and local structure, and adaptively weight them using only reference samples via an uncertainty-guided principle. Theoretically, we establish permutation-based type I error control and show consistency of the aggregated test: as the sample sizes grow, the test power converges to one whenever the representation set contains at least one consistent representation. Empirically, our aggregation achieves strong performance across a range of benchmarks while retaining type I error control.
Authors: Abdul Moeed, Stefan Schrod, Martin Rohbeck, Marc Jan Bonder, Pavlo Lutsik, Oliver Stegle, Daniel Dimitrov
Abstract: \textit{Tissue graph counterfactuals} ask how a cell's expression would change under altered spatial neighbor contexts. Such queries are central to predicting cell behavior in tissues, but lack a unified definition, with existing methods targeting specific intervention types or treating cells as i.i.d. In this work, we first formalize \textit{tissue graph counterfactuals} as a class of spatial interventions that either rewire connections between cells (\textit{edge perturbation}) or modify the expression of their neighbors (\textit{node perturbation}). We then introduce \textit{Cellina} {\renewcommand{\thefootnote}{\ddag}\footnote{https://cellina.readthedocs.io}\addtocounter{footnote}{-1}}, a framework that uses supervised disentanglement to decompose a cell's intrinsic state from its spatial context, using the latter as a conditioning input for counterfactual predictions. Across benchmarks spanning over 2.5 million spatially-resolved cells in colorectal cancer and mouse brain, \textit{Cellina} outperforms spatially-informed and non-spatial competitors in tissue perturbations, disentanglement, and scalability. Additionally, we show that \textit{Cellina} reveals biologically distinct cancer subdomains in an unsupervised manner and enables targeted neighbor perturbation simulations.
Authors: Jingyi He, Haiyan Zhao, Ruxue Shi, Yanguang Liu, Xin Wang, Fei Sun, Mengnan Du
Abstract: Although Sparse Autoencoders (SAEs) have mitigated the opacity of large language models (LLMs) by decomposing dense representations into sparse features, explaining these features still remains a central challenge. Current explanation methods, however, typically operate within an open-loop paradigm, failing to leverage mechanistic feedback for further refinement. In this paper, we propose SAEExplainer, a training framework utilizes activation scores as an objective reward signal to train the model for self-correction and iterative bootstrapping. By iteratively verifying and correcting foundational explanations through a two-round optimization process, SAEExplainer achieves continuous improvement in its explanatory capabilities. This mechanism significantly reduces explanation hallucinations and reinforces causal triggering patterns. Extensive experiments demonstrate our approach improves upon established baselines across most metrics, especially in causal triggering and discriminative activation.
Authors: Elisei Shafer, Oren Gal
Abstract: Autonomous Underwater Vehicles (AUVs) traditionally rely on complex, heavily engineered pipelines for perception, path planning, and motion control. This paper explores the feasibility of an end-to-end Deep Reinforcement Learning (DRL) approach that maps raw sensor data directly to thruster commands, reducing manual engineering. We propose a hierarchical reinforcement learning (HRL) architecture splitting the problem into two Markov Decision Processes. A High-Level (HL) policy operating at 2Hz processes raw $84 \times 84$ pixel monocular camera frames, stacked $100 \times 100$ pixel forward-looking imaging sonar, and proprioceptive data to generate spatial subgoals. Simultaneously, a Low-Level (LL) policy operating at 10Hz converts these subgoals into thruster commands. The HL policy is trained using Reinforcement Learning from Prior Demonstrations (RLPD) within a modified Sample-Efficient Robotic Reinforcement Learning (SERL) framework, while the LL policy utilizes Soft Actor-Critic (SAC) combined with Hindsight Experience Replay (HER). Evaluated in the high-fidelity HoloOcean simulator, our method demonstrates successful obstacle avoidance, achieving trajectory lengths closely approximating (within 4% to 6% of) an $\text{RRT}^*$ planning baseline. Furthermore, the learned policy exhibits strong robustness to simulated sensor noise and decreased visibility. While the system navigates familiar geometries effectively, experiments reveal generalization limitations when encountering unvisited areas with novel obstacle shapes. Ultimately, this work demonstrates the promise of sample-efficient, end-to-end DRL for underwater navigation using minimal computational hardware.
Authors: Jason Starace
Abstract: Published agent capability scores conflate what a model can do with what its scaffold lets it do, and the magnitude of this elicitation gap is not well characterized under controlled conditions. This study executes a pre-registered controlled comparison of three scaffolds (ReAct, a Planner-Actor-Rater multi-agent design, and planner-then-executor) across five models from three providers (Claude Opus 4.7, Sonnet 4.6, Haiku 4.5; Gemini 3.1 Pro Preview; GPT-5.5) on GAIA validation Levels 1 and 2, holding tasks and conditions fixed, with three attempts per question. Scaffold choice alone moves measured accuracy by as much as 28 percentage points within a single model (Opus, Level 2, robust slice), confirming the pre-registered hypothesis that scaffold variation produces gaps of at least 10 points. The pre-registered prediction that more capable models would be less scaffold-sensitive is rejected in direction: scaffold effects vary significantly by model in every dataset slice, but the most capable Anthropic model gains the most from structured scaffolds at the harder level, and tier-scaling holds only at Level 1 under the robust slice. The multi-agent advantage over ReAct at Level 2 appears within the Anthropic family but not for the cross-provider models, making model family rather than capability tier the conditioning variable, and the predicted planner-executor advantage on file-reading tasks is falsified. Structured scaffolds make fewer tool calls yet recover more often from mid-trajectory errors at the harder level, and a single cell (Gemini with planner-then-executor) is the cheapest at both levels and the most accurate at Level 2. These results indicate that single-scaffold capability numbers are scaffold-conditional estimates and that the elicitation gap is not guaranteed to shrink as models improve.
Authors: Subramanyam Sahoo
Abstract: Large language models frequently fail in a characteristic way: rather than acknowledging ignorance, they produce fluent but incorrect answers to questions that lie beyond their knowledge boundaries. We introduce \textbf{Structured Ignorance Certificates} (SICs), a JSON-formatted output schema that demands a model explicitly name the missing domain intersection, enumerate required concepts, and propose a productive retrieval query rather than hallucinating an answer. To train models to produce high-quality SICs we construct a 7,347-sample \emph{Unknown-Unknown} (UU) dataset by prompting Qwen3-14B to stitch together questions from seven domains (physics, biology, engineering, CS, economics, medical, legal) into novel cross-domain queries that no single-domain expert could answer. We fine-tune a 14B-parameter model with Group Relative Policy Optimization (GRPO) using a composite reward that combines retrieval utility, concept specificity, and output-format validity. A paraphrase-divergence probe trained on model responses confirms that SIC-tuned outputs systematically exhibit higher unknown-unknown probability scores. Evaluation on 735 held-out UU questions achieves a 99.46\% JSON validity rate, a mean Certificate Specificity Score of 0.967, and a 3.6\% ROUGE-L improvement over the base model on retrieval-grounded generation -- demonstrating that explicit epistemic structuring is a learnable and measurable capability.
Authors: \'Agnes Baran, M\'at\'e Mihalina
Abstract: Statistical post-processing has proven to be an effective tool in improving ensemble forecast of different weather variables. Case studies show that post-processing can remedy the typically underdispersive and potentially biased behaviour of the ensemble while optimizing a proper scoring rule expressing the forecast skill. The price of these positive effects is generally a deterioration in sharpness; the width of the central prediction intervals and the uncertainty of the predictions are increasing, especially for shorter lead times. This work aims to reduce the extent of the latter phenomenon for neural network-based parametric post-processing methods by extending the network's loss function with a penalty term. We demonstrate the effect of the proposed technique for 2m temperature ensemble forecasts of the European Centre for Medium-Range Weather Forecasts downloaded from the EUPPBench benchmark dataset and verified against synoptic observations. Here, the predictive distribution is Gaussian, and we use the continuous ranked probability score (CRPS) as loss function. The case studies confirm a substantial relative decrease ($8.2\%-12.5\%$) in the width of the nominal central prediction interval compared to the width of the predictive distribution computed without the penalty term, while there is no deterioration in the mean CRPS of probabilistic forecasts and in the RMSE of the predictive mean.
Authors: Liqiu Dong, Marta Zag\'orowska, Mehmet Mercang\"oz
Abstract: We study data-driven real-time economic optimization of a multi-product chemical reactor when no reliable first-principles model is available beyond a steady-state energy balance. Instead of learning the economic objective directly as a black-box function, we use a composite formulation in which Gaussian process (GP) models predict physically meaningful outputs, including product concentrations and reactor temperature, while profit is computed analytically from these predictions together with raw-material, product, and utility prices. This preserves the structure of the economic objective, makes it parametric in changing prices without needing retraining, and allows candidate operating points to be checked against the available energy balance through a physics residual. The GPs also provide predictive uncertainty, which is exploited in a Bayesian optimization (BO) framework both for data-efficient exploration and for conservative enforcement of the reactor temperature constraint through an upper confidence bound. The acquisition function additionally penalizes large energy-balance mismatch obtained by substituting the GP-predicted outputs and candidate inputs into the available steady-state energy balance. The approach is demonstrated on a benchmark simulation of a non-isothermal multi-product reactor. Relative to a trust-region safe BO implementation, the proposed method achieves better simulated economic performance within the available iteration budget. Relative to a purely data-driven BO approach that does not use the available physics information, it avoids reactor temperature constraint violations.
Authors: Hongwei Wang, Miao Zhou, Fengde Wang, Yuting Wang, Jiewen Yu, Jun-Yan He, Bohao Qu, Wanbing Zhang, Xiuju Fu, Qing Guo, Zipei Fan, Yingying Xing, Yi Yuan
Abstract: Long-horizon maritime trajectory prediction is important for shipping management, logistics planning, and maritime risk analysis, yet month-level forecasting remains insufficiently studied. Existing deep learning methods mainly focus on short- and mid-term coordinate extrapolation and often struggle to preserve route feasibility and destination correctness over extended horizons. This paper investigates joint long-horizon vessel trajectory and destination forecasting with reasoning-capable large language models, and develops a Maritime LLM post-training framework based on Reinforcement Learning with Verifiable Reward (RLVR). An AIS-based benchmark is constructed with 60-day historical trajectories and 30-day forecasting horizons, where trajectories are converted into semantic textual representations for RL prompt construction. RLVR aligns LLMs with maritime forecasting objectives by enforcing physical validity, providing early-weighted trajectory supervision, and evaluating destination correctness through hierarchical matching and curriculum learning. Experimental results show that RLVR-trained LLMs substantially improve over zero-shot LLMs and representative deep learning baselines, especially on destination-related metrics. Among the evaluated RLVR-trained variants, 4B LLMs achieve the best overall performance, suggesting that reward-compatible optimization and task-specific capacity matching are more important than simply using larger 8B or 14B LLMs. The results also show that LSTM remains a strong deep learning baseline under limited fine-tuning data, while Transformer-style spatio-temporal models typically require larger datasets and richer structured inputs. Overall, this work advances semantic, verifier-aligned maritime forecasting for operational decision support.
Authors: Siddharth Prasad, Dravyansh Sharma
Abstract: Recent research has developed practical, parallelizable first-order methods for large scale linear programming, but performance is highly dependent on hyperparameter selection. We derive generalization guarantees for hyperparameter tuning within (cu)PDLP, a state-of-the-art first-order LP solver designed for modern hardware. First, we pin down the behavior of PDHG, the primal-dual hybrid gradient algorithm that underlies PDLP, as a function of its step size and primal weight, leading to linear sample complexity guarantees for learning those parameters. We then conduct a structural analysis of PDLP, which augments PDHG with several specialized techniques like preconditioning, adaptive step sizes, averaging, adaptive restarts, and smoothed primal weight updates. Our analysis captures the behavior of the solution trajectory as a function of the hyperparameters and leverages recent advances in data-driven algorithm design to obtain polynomial sample complexity guarantees for learning those hyperparameters. Finally, we conduct proof-of-concept experiments that demonstrate the need for data-driven PDLP parameter tuning. Our results showcase the versatility of the data-driven algorithm design toolkit for principled hyperparameter tuning within solver-grade implementations of complex modern optimization algorithms.
Authors: Haihao Lin, Xiangsheng Huang, Xiao Yang, Weibang Zhou, Yiqi Zhang, Bo Yang, Simin Zeng, Jiawei Yang, Zhengyang Wang, Jiahui Du
Abstract: Action-supervised fine-tuning of vision-language-action (VLA) policies fits demonstrations effectively but constrains only the directions that change predicted actions, leaving visual structure consistent across action-equivalent states free to collapse. We formalize this as residual visual collapse along local action fibers and propose FiberTune, a training-time objective that preserves teacher-structured visual residuals without adding inference-time overhead. FiberTune uses an online action probe to estimate action-predictive feature directions, filters them from intermediate visual-token representations, and aligns the resulting probe-filtered residuals to a frozen visual teacher while regularizing their effective rank. Under identical training conditions, FiberTune improves over task-loss-only fine-tuning in every one of six controlled simulation settings spanning two benchmarks and two architectures (pi_0.5 and OpenVLA-OFT), as well as on physical SO-101 pick-place; representative gains include +10.7 percentage points SR(5) on long-horizon CALVIN ABC-to-D and physical SO-101 task success rising from 72.7% to 78.1%. Residual diagnostics show that these gains coincide with increased probe-filtered residual teacher alignment and effective rank, consistent with the action-fiber motivation.
Authors: Anh-Tuan Dao, Driss Matrouf, Mickael Rouvier, Nicholas Evans
Abstract: Voice biometric systems face growing threats from spoofing attacks, yet the evaluation of detection models remains inconsistent across datasets. To investigate these unpredictable fluctuations, we conduct a comprehensive benchmark of four self-supervised learning feature extractors paired with four back-end classifiers. We compare the hierarchical local feature extraction of ResNet with the global sequence and relational modeling of attention and graph-based back-ends. Through multi-corpus training across three scenarios and six evaluation datasets, our empirical analysis yields two critical findings. First, we expose a domain bias within the ASVspoof 5 dataset, showing that naive data scaling actively degrades performance. Second, our cross-linguistic analysis reveals that fine-tuning with just 8 hours of target-language data enhances detection robustness. Together, these findings emphasize the critical need for domain-aware and language-specific adaptation in spoofing detection.
Authors: Sihyeon Kim, Seunghun Lee, Vikas Singh, Hyunwoo J. Kim
Abstract: Diffusion and flow generative models sample by integrating a learned ODE, but high quality still requires many sequential model evaluations. Solver learning reduces this cost by adapting scalar coefficients, timesteps, or both, while keeping the backbone model fixed. In this work, we identify a structural bottleneck in this update family: each step remains span-limited. Since the scalar-coefficient update lies in the span of buffered velocity evaluations, it can fit only the in-span component while leaving any out-of-span residual unreachable by scalar recombination alone. We propose SpanLift, a lightweight neural solver that augments scalar-coefficient updates with a spatial residual operator. SpanLift keeps a fixed base solver as an in-span prior and learns a spatial residual operator over the state and velocity buffer. The operator is trained by endpoint teacher matching, preserves the pretrained backbone, and adds no model NFEs. Empirically, the learned correction transfers across base solvers and is predominantly out-of-span. Across pixel-space diffusion, latent flow matching, and precipitation nowcasting, SpanLift achieves state-of-the-art few-step sampling. With only 3 NFE, it improves CIFAR-10 FID from 8.16 to 5.69 and ImageNet FID from 17.37 to 11.83.
Authors: Anh-Tuan Dao, Driss Matrouf, Mickael Rouvier, Nicholas Evans
Abstract: Sophisticated generative speech technology can undermined the reliability of voice biometrics. While spoofing detection systems excel when assessed under in-domain conditions, generalisation to out-of-domain settings is often poor. In this paper, we show that such issues could be caused by speaker bias, where models learn individual voice traits rather than markers of manipulation or generation. We propose a teacher-student framework for speaker-invariant spoofing detection that disentangles identity without requiring speaker labels. We leverage a pre-trained speaker recognition teacher to guide a student model via a gradient reversal layer. To control the balance between suppressing cues related to voice identity with the preservation of those related to spoofing detection, we integrate a Variational Information Bottleneck. Evaluations across nine datasets show our model achieves a 25.7% relative reduction to the EER compared to the MHFA baseline.
Authors: Bitya Neuhof, Yuval Benjamini
Abstract: Pretrained models are often evaluated on multi-task leaderboards to measure their applicability in diverse contexts. However, current methods for aggregating performance across tasks into leaderboard-level rankings do not address the uncertainty and variability at the task level. While recent works have proposed interval-based model rankings, the principled aggregation of uncertainty from individual tasks to leaderboard-level rankings remains unaddressed, and variation in models' performance across tasks is frequently obscured. In this work, we introduce a hierarchical framework that constructs model rank intervals with statistical guarantees at both levels: task-level rank confidence intervals from pairwise comparisons, and leaderboard-level rank prediction intervals using a conformal approach. This enables reliable quantification of model rank for each observed task and for new potential tasks. Experiments on simulated data and the TabArena and PromptEval (MMLU) benchmarks show that our method yields statistically valid and informative intervals, enabling reliable, uncertainty-aware model ranking on leaderboards.
Authors: Marco Biroli, Max Welling, Vincenzo Vitelli
Abstract: Generative models are increasingly used to capture correlations in many-body systems, but the representations they learn remain largely opaque to physical interpretation. Here, we establish an intuitive criterion that quantifies the capacity of a variational autoencoder (VAE) to faithfully reconstruct the joint probability distribution of a many body system. In a nutshell, a bound on the VAE capacity is obtained by comparing the rate of the latent channel to the bipartite mutual information of the data. Using this bound, we show that the conditionally independent decoder of any successful VAE is structurally identical to a finite-size mean-field factorization. Hence, a successful reconstruction is direct evidence for a latent mean-field theory and the microscopic parameters of that theory can be read off the trained decoder. We validate these conclusions on a hierarchy of solvable models with scalar (Curie-Weiss), vector (Hopfield) and tensor (Maier-Saupe) order parameters, recovering the full Hopfield pattern matrix from equilibrium samples alone. We find that, when applied to Salamander retinal recordings, a two-latent VAE reproduces the population statistics with only two effective collective variables allowing us to recover the `stored patterns' of the neural population and write a generalized Hopfield model which correctly models the experimental data.
Authors: Ali Kafili Gavgani, Amin Talaeizadeh, Aria Alasty, Hossein Nejat Pishkenari
Abstract: Multirotors are widely used in applications ranging from surveillance to precision agriculture, yet conventional designs remain limited by their under-actuation. Tilt-rotor configurations overcome this limitation by enabling full actuation. This paper investigates neural-network-based control strategies for a fully actuated tilt-rotor system with four thrust-vectoring inputs. Our work is structured in two parts. First, we deliberately present a negative result by evaluating a direct input-output control approach. In this method, multilayer perceptrons (MLPs), long short-term memory (LSTM) networks, and transformer models are trained to map system states and their desired values directly to control signals. We show that this strategy fails to stabilize the system, highlighting the inherent difficulty of applying direct input-output learning to highly unstable plants. Second, as the main contribution, we propose a neural-network-enhanced sliding mode controller (SMC). The method decomposes the system dynamics into input-independent and input-dependent components, with the former learned from a small dataset using lightweight networks, thereby reducing real-time computational demands. Moreover, the proposed method can be trained using flight logs collected from low-performance controllers, and the resulting dynamic model learned from real-world data can be used in simulation. We further compare MLP- and LSTM-based implementations under model uncertainties and external disturbances, demonstrating the robustness and effectiveness of the proposed approach; in particular, the controller with the LSTM plant dynamics predictor achieves superior performance to its MLP-based counterpart while also exhibiting lower runtime.
Authors: Dennis Elbr\"achter, Philipp Petersen
Abstract: Many classically studied function classes are known to be approximated optimally by superpositional methods, i.e. with approximants constructed as the linear combination of elements in some dictionary. Here optimality means that the uniform approximation error viewed as a function of the number of parameters used has polynomial decay of the highest order achievable by any parametrized method whose parameters can be encoded as a bit string of length proportional, up to logarithmic factors, to the number of parameters. While compositional methods like neural networks are structurally different, their approximation rates can be made comparable by imposing constraints that ensure such a proportional bit string encoding. In this work we study function classes exhibiting structural properties that limit superpositional approximation rates to be strictly lower than compositional approximation rates. In particular, we construct explicit examples for which there is an arbitrarily large gap.
Authors: Syed Rifat Raiyan, Mohsinul Kabir, Hasan Mahmud, Md Kamrul Hasan
Abstract: Mathematical reasoning has long served as a stringent test of machine intelligence; over the past decade, it has moved from a niche problem within NLP to one of the most consequential AI frontiers. This survey provides a unified account of the field's evolution, from early rule-based math word problem (MWP) solvers and template-driven geometry systems, through neural expression generation and LLM prompting, to contemporary reasoning models, multi-agent systems, neuro-symbolic theorem provers, and verified discovery workflows. We organize the landscape along four axes: (i) informal reasoning over text and diagrams, spanning MWP solving, multimodal geometry, and VLMs; (ii) formal reasoning in proof assistants, including autoformalization, tactic prediction, compiler-guided repair, and proof search; (iii) mathematical discovery, where systems propose constructions, improve bounds, or assist attacks on open problems; and (iv) the inference and training-time techniques, including CoT prompting, tool use, process reward models, and RLVR, that increasingly connect generation with verification. We catalog major benchmarks across grade-school arithmetic, competition mathematics, geometry, formal proving, multimodal and multilingual reasoning, and expert evaluation, and we examine benchmark saturation, contamination, reporting mismatches, and the distinction between pass@1, majority voting, and verifier-assisted pass@$k$. We critically assess failure modes: brittleness under perturbation, reward hacking, multimodal grounding failures, fragile formalization, and the energy cost of reasoning-scale inference. Drawing on recent perspectives from working mathematicians, we identify future directions centered on verified-discovery workflows, reasoning efficiency, and infrastructure to make AI-assisted formalization broadly usable. Companion materials: https://github.com/Starscream-11813/awesome-AI4Math.
Authors: Ruihua Han, Shuai Wang, Chengyang Li, Rui Gao, Xinyi Wang, Zhe Liu, Guoliang Li, Yupu Lu, Qi Hao, Jia Pan, Hengshuang Zhao
Abstract: Simulation plays a key role in automated robotics research supported by large language models (LLMs). However, existing simulators often require custom code or complex interfaces, creating a barrier to rapid prototyping and automated algorithm development. To this end, we propose the Intelligent Robot Simulator (IR-SIM), a lightweight skill-native navigation simulator designed for rapid scenario construction, benchmarking, and robot learning. In IR-SIM, scenarios are entirely defined by YAML configuration files that specify mobile robot kinematics, geometric collision checking, LiDAR sensing, visualization, and behavior modules. This design makes robotic simulation fully describable and reproducible, allowing scenarios to be generated and modified from text prompts through the proposed IR-SIM agent skills. The resulting scenarios can be used for automated benchmarking of navigation algorithms and for automated generation of training data for learning methods. Furthermore, IR-SIM provides bridges to high fidelity simulators and real world deployment, allowing users to validate their algorithms in more realistic settings after prototyping without extra coding. The experiments showcase the convenience and versatility of IR-SIM in multiple tasks: constructing navigation scenarios from natural language, training a collision avoidance policy, benchmarking social navigation policies, and bridging to high fidelity simulators and real world deployment. The project website is available at https://github.com/hanruihua/ir-sim.
Authors: Ashish Acharya, Anish Khatiwada, Rohit Khadka, Pragya Aryal
Abstract: The analysis of internet memes in the Nepali language is complicated by frequent code-mixing and a lack of established baseline resources. While memes inherently combine visual and textual elements, this study focuses on a text-centric approach by extracting embedded text using an OCR layer and modeling it with Transformer-based architectures. We evaluate six distinct models and investigate the comparative effectiveness of Hard and Soft Voting ensemble strategies across two tasks: binary hate speech detection and three-class sentiment analysis. Experimental results show that a standalone decoder-only model achieved the highest performance for binary classification, whereas the Soft Voting ensemble performed best for the multi-class sentiment task, yielding a 15.8% relative improvement in Macro F1-score over the strongest standalone baseline. These findings suggest that ensemble strategies behave differently across binary and multi-class tasks, highlighting the importance of selecting aggregation methods suited to the classification objective.
Authors: Ganzhao Yuan
Abstract: Orthogonalized momentum updates, as used in Muon-style optimizers, have recently shown strong empirical stability in large-scale deep learning. However, existing orthogonalized methods are typically paired with constant or open-loop magnitude rules, and therefore do not explicitly calibrate their update magnitudes from the observed optimization trajectory. Motivated by the closed-loop perspective behind Lipschitz-free and noise-adaptive methods, we propose OptMuon, a family of adaptive momentum orthogonalization methods for stochastic nonconvex optimization. OptMuon combines Muon-style polar-factor directions with a trajectory-dependent AdaGrad-Norm-type coefficient schedule, so that the update magnitude is determined by the observed gradient and momentum history rather than by a prescribed Lipschitz-dependent rule. The schedule does not use the smoothness constant, the variance level, or the bounded-gradient constant in parameter selection, and its running-maximum correction prevents isolated gradient spikes from causing excessive coefficient collapse. Under lower-boundedness, unbiased stochastic gradients with bounded variance, smoothness, and an almost-sure bounded stochastic-gradient condition, we prove two complementary guarantees. OptMuon-A achieves the noise-adaptive rate \(\tilde{\mathcal O}(T^{-1/2}+\sigma^{1/2}T^{-1/4})\) under average smoothness, while OptMuon-I achieves \(\tilde{\mathcal O}(T^{-1/2}+\sigma^{1/3}T^{-1/3})\) under individual smoothness. In the zero-noise regime, both bounds automatically reduce to a nearly optimal deterministic first-order rate \(\tilde{\mathcal O}(T^{-1/2})\) without manual hyperparameter retuning. These results show that closed-loop scalar adaptation can be combined with Muon-style momentum orthogonalization while retaining noise adaptivity and zero-noise optimality up to logarithmic factors.
Authors: Ayub Kharel, Ilja Kuzborskij, Patrick Rebeschini, Yasin Abbasi-Yadkori
Abstract: We study the generalization of ridge-regularized nonlinear least-squares models via on-average algorithmic stability, deriving error bounds for local minimizers in terms of a data-dependent effective dimension that reflects the geometry of the gradient model at the trained parameters, through the empirical Jacobian Gram matrix and a residual-curvature term. In the linear case, where the curvature term vanishes, this recovers the classical effective dimension of the Jacobian kernel covariance, but evaluated at the trained model rather than at initialization as is typical in neural tangent kernel analyses. We further bound this effective dimension via covering complexity of the gradient features, leading to guarantees that depend on learned geometry rather than parameter count. In particular, for manifold-supported data and piecewise Lipschitz Jacobians, the bounds scale with intrinsic dimension, while for one-hidden-layer ReLU networks, the mechanism can be made explicit through counts of activation-stable regions. Experiments on synthetic manifolds, clustered distributions, and benchmark datasets illustrate trained-Jacobian compression, the tightness of the residual-curvature linearization, and agreement between the stability bound and observed generalization gaps. A key feature of our bounds is the simplicity of their derivation, which follows from first principles using the Brascamp-Lieb inequality under strongly log-concave noise.
Authors: Sumin Park, Seojin Kim, Noseong Park
Abstract: Linear attention reformulates sequence modeling as recurrent state evolution, enabling efficient linear-time inference. Under the key-value associative paradigm, existing approaches restrict the role of the query to the readout operation, decoupling it from state evolution. We show that query-conditioned state readout induces a structured value prediction over accumulated memory that complements key-based retrieval. Based on this insight, we propose Q-Delta, a query-aware delta rule that integrates mixed key-query prediction errors into state evolution, enabling jointly corrective dynamics while preserving delta-rule efficiency. We establish stability guarantees for the resulting dynamics and derive a hardware-efficient chunkwise-parallel formulation with a custom Triton implementation. Empirical results demonstrate stable optimization, competitive throughput, and consistent improvements over strong baselines on language modeling and long-context retrieval tasks.
Authors: Zhicheng Du, Lan Ma
Abstract: Gaussian-corrupted sentence embeddings have no direct linguistic interpretation, yet continuous diffusion language models can generate fluent text from them. We study this puzzle through Embedded Language Flows (ELF) and identify a decoder-basin mechanism: denoising succeeds when trajectories reach regions where the native decoder can read stable tokens. We introduce a diagnostic protocol for denoisability, semantic recoverability, order sensitivity, decoder compatibility, and trajectory reliability. It exposes failures hidden by scalar metrics: low mean-squared error can discard linguistic content, low perplexity can reflect low-entropy collapse, and clean latent reconstruction can coexist with a narrow decoder basin. A decoder-margin bound explains why token recovery depends on margin and local decoder sensitivity, not latent error alone. Auditing public ELF checkpoints reveals an interface phase diagram: early predictions are weakly readable, mid-trajectory disagreement marks a competition region, and late predictions enter a high-margin final-token basin. Once inside, token realization is surprisingly simple on generated ELF states: frozen T5 token-embedding lookup recovers $93$--$96\%$ of native decoder decisions, and a single linear readout reaches $97.9\%$ agreement at 32k samples, leaving about a 1.1 perplexity gap in a structured residual tail. A conservative margin gate exits $17$--$27\%$ earlier in denoising steps under an explicit diagnostic monitor. Boundary checks on LangFlow, BitstreamDiffusion, and the Continuous Latent Diffusion Language Model (Cola-DLM) show that the same interface questions remain meaningful when the state object and decoder change. Continuous and latent diffusion language models should therefore be evaluated as representation-decoder systems.
Authors: Yong Fu
Abstract: We present HNTL (Hierarchical No-pointer Tangent-Local), the core vector indexing and candidate generation framework of the Aperon vector memory system. Proximity graphs (e.g., HNSW) incur a heavy pointer tax in memory overhead and induce irregular memory accesses that stall CPU pipelines. HNTL resolves this by partitioning the high-dimensional space into local, coherent grains, representing vectors as low-dimensional coordinates on local tangent spaces, and scanning them sequentially using a pointerless Block-SoA (Structure-of-Arrays) layout. On anisotropic manifold data (d=768, N=10,000), local PCA captures 96.3% of the variance, allowing HNTL to achieve a final Rerank Recall@10 of 1.0000 with a candidate pool size of only C=20 vectors. Hardware profiling via Apple kperf CPU Performance Monitoring Unit (PMU) counters demonstrates a 3.61x speedup (4.137 ns/vector vs. 14.951 ns/vector) for our NEON auto-vectorized C++ Block-SoA scan engine over standard pointer-chasing graph traversals, driven by a 3.59x IPC (Instructions Per Cycle) and near-zero L1/L2 data cache misses.
Authors: Sumin Park, Noseong Park
Abstract: Mixture-of-Experts (MoE) scales model capacity efficiently by selectively routing inputs to a specialized subset of experts. However, input-expert specialization, the core motivation of MoE, critically depends on whether the router is actually aware of input structure. In practice, MoE routing is typically implemented as a shallow linear projection with limited awareness of input representation, which often leads to unstable routing. We propose STAR, a Structure Aware Routing that rethinks MoE routing as a subspace learning problem by augmenting standard learnable routing with an evolving principal subspace that tracks dominant input structure via Generalized Hebbian Algorithm (GHA). By aligning routing decisions directly with input structure, STAR enables stable expert specialization. We evaluate STAR on controlled synthetic setup and large-scale language and vision tasks, where it consistently improves routing quality and downstream performance over strong MoE baselines. Moreover, optional test-time subspace updates further enhance routing robustness and generalization under input distribution shifts.
Authors: Hao Chen, Zhanming Shen, Liyao Li, Yanyu Chen, Xuhang Zhu, Xiaomeng Hu, Qi Zhang, Ru Peng, Xiaoyu Shen, Haobo Wang, Junbo Zhao
Abstract: Reinforcement learning with verifiable rewards (RLVR) has emerged as a powerful paradigm for eliciting long-chain reasoning in large language models. However, existing methods based on Group Relative Policy Optimization (GRPO) rely on a binary outcome reward, which induces two structural failure modes: Zero-Advantage Collapse, in which all rollouts in a group share the same outcome and the gradient vanishes, and Hallucinated Certainty, in which the model becomes increasingly confident on incorrect rollouts late in training. We address both modes by densifying the reward with intrinsic signals computed entirely from the policy's own conditional probabilities, and propose ISPO (Intrinsic Signal Policy Optimization, which combines a sequence-level signal measuring how informative the thinking trajectory is for the final answer, with a token-level directional reward whose hallucinated-certainty hinge penalizes confidently-wrong predictions at critical decision tokens. Across three base models and five mathematical reasoning benchmarks, ISPO consistently outperforms competitive baselines, with the largest gains on the hardest benchmarks where zero-advantage collapse is most frequent, and training-dynamics diagnostics confirm that both failure modes are decreased.
Authors: Moshe Mandel, Shlomo E. Chazan
Abstract: We present a voice conversion (VC) framework that utilizes K-Nearest Neighbors (KNN) retrieval over WavLM representations to align non-parallel source and target speech, constructing synthetic training pairs for supervised learning. The retrieved segments serve as synthetic inputs, while real target audio provides ground-truth outputs, forming a synthetic-to-real training paradigm that naturally supports multilingual data without requiring parallel corpora or explicit alignment. To ensure consistent target-speaker identity, we incorporate a speaker loss derived from a pretrained speaker verification model. Experiments across multiple languages demonstrate that the proposed approach achieves high naturalness and strong speaker similarity, outperforming competitive VC baselines, despite being trained exclusively on English data. Samples can be accessed at: https://palindromic-vc.github.io.
Authors: Ahmed Abdelmoneim Mazrou, Haidy Maher El-Amir, Ali Hamdi
Abstract: Despite the success of image generation from text descriptions, it still faces challenges that are difficult to overcome in domains such as natural language processing (NLP) and computer vision (CV). Recent advancements in text-to-image (T2I) models, particularly those utilizing generative adversarial networks (GANs), have significantly improved the synthesis of realistic images across various domains. However, existing GAN-based T2I models still encounter key challenges, such as difficulty in capturing long-range dependencies, vanishing gradients, and the limitations of sequential processing. To address these issues, we introduce BLM-SGAN, a novel model that incorporates Bidirectional Language Modeling for Semantic-Spatial Text-to-Image Generation. BLM-SGAN leverages BERT's attention mechanisms to capture rich contextual information and efficiently manage extended sequences. Our model demonstrates state-of-the-art performance, with an Inception Score (IS) of 5.45 +/- 0.08, surpassing several competitive models such as SSA-GAN, DF-GAN, SD-GAN, and AttnGAN. BLM-SGAN effectively generates highly realistic images of birds from detailed text descriptions. The implementation code is available at: https://github.com/haidy-maher/BLM-SGAN-Text-to-Image-Generation.
URLs: https://github.com/haidy-maher/BLM-SGAN-Text-to-Image-Generation.
Authors: Juan Pablo Sotelo, Marina Gardella, Pablo Mus\'e
Abstract: The rapid adoption of diffusion and large-scale generative models has made it increasingly challenging to distinguish synthetic imagery from real photographs. While automated detectors have been proposed, their generalization to unseen generators remains brittle. To address this limitation, we investigate inter-channel color correlations, a lightweight and underexploited forensic cue. We first demonstrate that LPIPS, a widely used perceptual metric, exhibits inconsistent responses to perturbations that selectively alter channel dependence across different color-space parameterizations, indicating that cross-channel statistics are not uniformly constrained by common perceptual training objectives. Motivated by this, we analyze the distributions of pairwise inter-channel correlation features across multiple color spaces. Our analysis reveals systematic, generator-specific differences in these distributions, with RGB and Lab color spaces providing the most apparent separation between real and generated images. Building on this, we introduce Chroma, a detector of AI-generated images which augments standard RGB inputs with inter-channel correlation maps and employs a fixed CNN backbone trained with a modest computational budget. We assess its robustness under both single-generator training and a limited multi-generator supervision regime, where only a few samples from additional generators are available. Across a standard benchmark protocol, correlation-augmented inputs improve real-vs-generated discrimination and robustness, yielding performance competitive with recent detectors while maintaining a simple architecture and training procedure. Code is available at https://github.com/JPSoteloSilva/CHROMA
Authors: Jakob Dilen, Alexander Keller, Frances Y. Kuo, Dirk Nuyens
Abstract: The \emph{Fourier neural operator} (FNO) is a neural network architecture that learns mappings between function spaces. Its efficient implementation is based on the multi-dimensional Fourier transform. By deriving general regularity bounds for the FNO with respect to both the spatial and parametric variables, we prove that the generalization error of the FNO can be improved by replacing spatial tensor product grids with purpose-built rank-1 lattice points, and by using a second lattice carefully constructed as training points in the parametric space. We achieve more accurate and efficient approximations from fewer network parameters, fewer spatial points, and fewer training samples. In addition, the architecture is simplified, because the high-dimensional Fourier transform on rank-1 lattices requires only a \emph{one-dimensional fast Fourier transform}, and we can use a \emph{hyperbolic cross} frequency index set with lattice points. We demonstrate the benefits of our \emph{lattice-based hyperbolic-cross FNOs} for an elliptic PDE on the torus.
Authors: Yanxiong Li, Guoqing Chen, Qianqian Li, Sen Huang
Abstract: In the task of few-shot class-incremental audio classification, the number of classes is assumed to always increase without considering the possibility of decrease. However, the number of classes generally increases or decreases in practice. In this paper, we investigate a problem of Few-shot Class-variable Incremental Audio Classification (FCIAC), in which the number of classes increases or decreases. We propose a FCIAC method using prototype adaptation and pseudo class-variable training. The model in our method consists of an encoder and a classifier. The classifier is initialized by a class-variable prototype adaptation network, whose structure dynamically changes with the change of classes. In addition, we design a pseudo class-variable training strategy to enhance the model's adaptability to changing classes. Experiments on three public datasets show that our method exceeds previous methods in average accuracy. The code is at: https://github.com/cgq2971-afk/FCIAC.
Authors: Emre Turan
Abstract: As LLM agents begin to take real, irreversible actions (shell commands, file edits, deploys), the standard safety pattern is a human-in-the-loop approval gate: risky actions pause and wait for a person. We argue the gate is the easy part; the hard part is the judgment - which actions to stop - which the field evaluates against two false assumptions: that there is a ground-truth notion of "risky," and that the human reviewer is a perfect, infinitely-available oracle. On a hand-labeled set of 125 adversarially-weighted agent actions we show that (i) reviewers only moderately agree on what is risky (Fleiss' kappa = 0.52), so there is no single correct label; (ii) framing the guard as selective classification under asymmetric cost makes its operating limits measurable, and on hard inputs the guard cannot safely auto-decide; and (iii) when the reviewer is modeled as endogenous (fatiguing as escalation load grows), realized safety becomes an inverted-U in the escalation rate: more human oversight can make a system less safe, and the safety-optimal guard escalates below full escalation - a setting a load-aware policy also uses to resist a flooding attack that slips a malicious action past a fatigued reviewer. Agent oversight, framed this way, is not only a classification problem but a resource-allocation one: human attention is finite, and the guard's escalation policy spends it. We claim none of these mechanisms as novel - fatigue-aware learning-to-defer (FALCON), cost-sensitive deferral under workload constraints (DeCCaF), trajectory-level guarding, and reviewer-fatigue/flooding attacks are all prior art we cite. Our contribution is an open-source agent-oversight system that operationalizes and measures them in the LLM-agent action-gating setting, turning "is my guard good?" from a guess into a curve. The inverted-U and the flooding attack are modeling results that motivate a human study.
Authors: Yuxin Deng, Yi Sun, Zhiming Li, Huaxiong Liu
Abstract: This paper proposes a collapsible method for estimating causal effects that maintains the estimator's consistency before and after marginalization over some variables in completed partially directed acyclic graphs (CPDAGs). We first introduce the estimate collapsibility for CPDAGs and characterize the minimal collapsible sets as strong d-convex hulls. An efficient algorithm is devised to obtain such sets in DAGs and is generalized to CPDAGs. Then, we combine the graph reduction procedure with the IDA framework. Finally, experiments and empirical analysis show the effectiveness of the collapsibility for causal estimations in CPDAGs. Code is available at https://github.com/Jamyang-D/strongly-convex.
Authors: Ziqian Zhong, Ivgeni Segal, Ivan Bercovich, Shashwat Saxena, Kexun Zhang, Aditi Raghunathan
Abstract: Agent benchmarks score submissions with outcome verifiers that are typically hand-written and brittle, leaving them open to reward hacking. We audit 1,968 tasks across five terminal-agent benchmarks and find 323 (16%) hackable by frontier models given only the task description. This corrupts both leaderboard rankings and RL training signal, yet the standard response is manual and reactive. We introduce the hacker-fixer loop, a method for building exploit-resistant verifiers without per-task manual patching. The loop alternates three LLM agents: a hacker tries to pass the verifier without solving the task, a fixer patches the verifier to reject each discovered exploit, and a solver confirms the patched verifier still admits legitimate solutions. The loop iterates: each patch reshapes what the verifier rewards, surfacing the next exploit. We further add verifier access, and let patches transfer across tasks, to broaden the exploits the loop discovers. On KernelBench, the loop drives the attack success rate from 62% to 0% on a held-out corpus of publicly reported exploits. We also find that weaker agents in the loop can defend against much stronger hackers: Gemini 3 Flash's loop drives the stronger Gemini 3.1 Pro and Claude Opus 4.7's attack success rate from 76% and 61% to 0% on KernelBench, and Gemini 3.1 Pro's from 39% to 17% on Terminal Bench across 77 tasks. We release Terminal Wrench (323 hackable environments, 3,632 hack trajectories) as a snapshot of the current attack surface, our patched verifiers, the exploits the loop discovered, and our implementation as a basis for future work.
Authors: Sheng-Ya Chen, Shan-Ju Yeh
Abstract: Fundamental investigations into how different molecular encoding methods affect molecular property prediction remain relatively limited. In this study, we extensively examined the optimal molecular encoding methods for molecular properties prediction using two prevalent structure designs: a classical neural network model (MLP) and a Transformer encoder-based model (MLP+TL). For molecular encoding methods, we investigated several types of fingerprints, including traditional topological fingerprints, substructure-based fingerprints, and string-based representations. These two models were trained on seven well-known molecular datasets to evaluate different input molecular encoding methods based on evaluation metrics. On several biologically relevant classification tasks, including toxicity, mutagenicity, and side-effect prediction, our models consistently achieved average AUC values above 0.9. Rather than relying on external post-hoc explanation methods such as the local interpretable model-agnostic explanation (LIME) or the Deep SHapley Additive exPlanations (SHAP), we leveraged the model's intrinsic attention weights as an internal interpretability signal for identifying potentially important feature. The MLP+TL model using MACCS and PubChem as input can capture chemically interpretable groups that determined the major blood-brain barrier (BBB) permeability and mutagenicity in Salmonella typhimurium. In particular, a comparison between Morphine and Heroin highlighted the role of hydroxyl-related substructures in BBB permeability prediction, which was consistently reflected in the attention weights. Overall, our findings provide practical guidance for selecting effective molecular encoding methods and contribute to the development of interpretable molecular informatics approaches for drug discovery.
Authors: Gabriel Ortega, Abelino Jim\'enez, S\'everin Lions, Pablo Dartnell
Abstract: Automatic Question Difficulty Estimation (AQDE) holds growing promise for educational assessment because it has the potential to yield difficulty estimates that are competitive with expert judgment, while helping reduce the time and financial burden associated with pilot administrations and scaling to digital testing contexts. Prior AQDE studies report mixed evidence on whether adding distractors as additional text to the question stem and the correct key consistently improves difficulty prediction. We hypothesize that the effectiveness of distractor information depends on its structural representation, and that explicitly modeling distractors as separate components improves difficulty estimation over baselines that omit this information. To address this, we designed controlled architectures that model MCQ components as distinct inputs to isolate the contribution of distractor content and order. Specifically, we represented distractors by encoding each distractor as its own text input and aggregating their representations either with order-aware concatenation (with positional tags) or with an order-invariant summation. We evaluated these architectures using two Chilean datasets (Natural and Social Sciences, 2016-2020; 4,114 multiple-choice questions). Compared to a simpler model that only used the question stem and the key, our best distractor-aware architecture achieved higher predictive performance, reaching R^2 = 0.83 for Natural Sciences and R^2 = 0.71 for Social Sciences items. An order-invariant variant achieved nearly the same accuracy with approximately half as many parameters, offering a favorable accuracy-efficiency trade-off. These results show that structural information (especially distractor content) drives gains in predictive accuracy, supporting the development of efficient, structure-aware models that are computationally viable for large-scale educational applications.
Authors: Deqi Zheng, Xiaoyang Xu, Yuhong Yang
Abstract: We study a stochastic multi-armed bandit problem in which the set of available arms expands over time. This setting arises in sequential experimentation when new actions or treatments become available during an ongoing study, making regret against a single best arm in hindsight inappropriate. We instead evaluate performance relative to the best arm currently available, leading to a dynamic-regret criterion for arriving-arm environments. To address the resulting challenges of arrival information discrepancy (AID) and a drifting benchmark (DB), we propose UCB for Arriving Arms (UCB-AA), an elimination-based procedure with an aiding preliminary screening step for newly arrived arms before full competition with incumbent arms. We show that UCB-AA attains regret bounds that depend explicitly on the arrival process, achieves sublinear dynamic regret under regularity conditions on gap evolution, and admits an online extension for unknown horizons. Simulation results show that UCB-AA reduces wasted pulls and maintains a smaller active arm set while preserving competitive regret performance.
Authors: Miroslav Krstic, Luke Bhan
Abstract: A classical universal stabilization formula offers the practitioner no design freedom: it is a single, parameter-free object. We introduce a cost-parametrized family of stabilizing feedback laws, where (1) the user chooses a function that serves as the running cost on control in an inverse-optimal cost functional, and (2) obtains, through a formula, a nonlinear "expander" of a pre-existing universal controller, which solves an infinite-horizon optimal control problem with a meaningful cost on the state. The cost-to-expander formula is a three-step construction, involving, inter alia, cost differentiation and function inversion-overall, a nonlinear infinite-dimensional operator. The cost-to-expander operator is proven Lipschitz, which enables uniform neural operator approximation of the entire family and supports both offline performance exploration and online adaptation. Semiglobal practical asymptotic stability and second-order suboptimality bounds are established under the approximation. The operator learning and its use in semiglobal stabilization are illustrated numerically. We call the result 'half-direct-optimal' because the paper's design is less than a general 'direct optimal' (HJB-inducing) control, but more than the fully inverse optimal, since the user performs minimization for an arbitrary given cost on control. The dual to the half-direct problem we solve is the problem in which the cost on the state is arbitrary and given. This dual problem is easier and outside of the scope of the paper.
Authors: Kevin Han Huang
Abstract: We propose the data augmented bootstrap (DAB), a framework for constructing confidence intervals from approximately invariant transformations of the data. As special cases, DAB recovers popular methods that rely on exact group symmetries, such as conformal prediction, wild bootstrap for Maximum Mean Discrepancy U-statistics and the recently proposed SymmPI. Meanwhile, DAB also recovers the classical bootstrap method, which exploits the dataset's approximate invariance under uniform sampling of data indices as the dataset size grows. For all DAB methods, we establish theoretical coverage results that interpolate between finite-sample and asymptotic guarantees according to the strength of the invariance, and without assuming a group structure. The approximate invariance is measured in the Kolmogorov distance and, for statistics that satisfy Gaussian universality, reduces to conditional mean and variance matching. This allows us to incorporate data augmentation (DA), a widely used machine learning heuristic based on approximate invariances, into known statistical methods. We empirically test the performance of incorporating DA into bootstrap, wild bootstrap and conformal prediction for simulated settings as well as for image, language and scientific data.
Authors: Ishaan Preetam Chandratreya, David Charatan, Basile Van Hoorick, Sergey Zakharov, Vitor Guizilini, Phillip Isola, Vincent Sitzmann
Abstract: Video generative models have become increasingly powerful, but long-range consistency remains challenging to achieve because even a few dozen frames require impractically long transformer sequence lengths. We show that this issue can be mitigated by generating video using coarse-to-fine rollout within a multi-scale token space. Our approach is simple: first, we pre-train an autoencoder that compresses each frame into a hierarchy of tokens, with levels ranging from the typical latent resolution to only a handful of tokens per frame. The coarsest levels capture the most consequential information, such as scene layout and semantics, while finer levels add high-frequency appearance and texture. Then, we train a video diffusion model to generate these tokens using coarse-to-fine rollout. By carefully controlling the level of detail at which frames are generated and used as context during each rollout step, we are able to preserve long-range consistency in geometry and object permanence while spending less compute on the long-range consistency of less perceptually relevant details. We validate this approach using a custom dataset of long Minecraft videos, where it produces substantially more consistent rollouts compared to existing baselines.
Authors: Shahin Momenzadeh, Rojiar Pir Mohammadiani
Abstract: Community detection is a fundamental problem in the analysis of complex networks. It has applications across social, biological, and financial domains. Traditional algorithms such as Louvain, LPA, and modularity optimization often require manual parameter tuning. They also suffer from inaccurate cluster center selection and struggle with scalability. To address these challenges, we propose Automatic Laplacian Centrality Means (ALCMeans), a novel community detection algorithm. ALCMeans combines Laplacian energy-based automatic center identification with DeepWalk embeddings for robust node representation. Unlike existing Laplacian-based and clustering methods, ALCMeans eliminates the need to predefine the number of communities, enhances cluster center selection using structural importance, and leverages representation learning for more accurate and stable assignments. Experimental results on benchmark datasets demonstrate 10 to 20 percent higher NMI and ARI scores compared to Louvain, Newman-Girvan, LPA, Fast-Greedy, and a recent GNN-based competitor (MAGI, KDD 2024). Additional evaluations with modularity and F1-scores confirm the superiority of ALCMeans. Ablation studies highlight the critical contributions of each component. Despite its reliance on DeepWalk parameters and increased runtime relative to lightweight heuristics, ALCMeans consistently outperforms state-of-the-art methods. This makes it a promising tool for real-world network analysis.
Authors: Tim Walter, Xinyu Chen, Jonathan K\"ulz, Matthias Althoff
Abstract: Many stages of the robotic lifecycle, from morphology synthesis to operation, rely fundamentally on the reachable workspace. However, current methods for approximating workspaces are slow, imprecise, or tied to a single morphology. We introduce Reachability Across Morphologies (RAM): a morphology-conditioned, implicit neural representation that acts as a fast, differentiable surrogate for pose reachability, generalising to unseen morphologies while inherently accounting for self-collisions. To train RAM, we publish a large-scale dataset of $3\cdot10^{10}$ samples generated solely from forward kinematics. Experiments show that our model achieves an $ F_1$-score of $86\%$ at nanosecond inference, outperforming the baseline by $14\%$ while reducing inference time by three orders of magnitude. We further demonstrate speed-ups of one and two orders of magnitude for gradient-based morphology and trajectory optimisation, respectively. Website: https://timwalter.github.io/ram.
Authors: Manyi Yao, Sparsh Garg, Christian Shelton, Amit Roy-Chowdhury, Abhishek Aich
Abstract: Video retrieval at scale is central to data curation and safety validation in autonomous driving, where users want to find not only scenes but also dynamic events such as cut-ins and hard braking. Existing vision-language and keyword-based retrieval methods often miss these events because the relevant motion may not be explicitly described in text or captured by lexical overlap. Rule-based retrieval can encode such events more directly, but it is brittle: generated or hand-written rules often fail when their assumptions do not match real driving data. We propose STRIVE-D, a data-calibrated retrieval framework for driving videos. It uses weakly labeled in-domain videos to estimate when a query rule is reliable, adapt rules that mismatch observed data, and fuse calibrated rule scores with vision-language and keyword-based retrieval signals. Across three driving benchmarks, including newly released human-annotated event data on DrivingDojo, STRIVE-D delivers up to 84% relative improvement in top-1 accuracy over state-of-the-art methods.
Authors: Siyuan Liu, Jinyang Wu
Abstract: Multimodal large language models (MLLMs) commonly inherit the deep, symmetric Transformer backbone designed for unimodal text modeling, and apply the same computation uniformly to image and language tokens. This design overlooks a key modality asymmetry: image and text tokens differ substantially in information density, redundancy, and required reasoning depth. Through a layer-wise analysis of LLaVA-1.5, we observe that vision tokens tend to saturate in the middle layers. Specifically, text-to-image attention decreases from 0.68 at layer 0 to 0.07 by layer 4, and stabilizes near 0.04 after layer 18, whereas text tokens continue to benefit from deep semantic processing. These findings suggest a mismatch between architectural symmetry and depth-asynchronous modality evolution, resulting in redundant visual computation and possible drift in perceptual representations during deep task-specific adaptation. Motivated by this, we propose Dual-Path Vision Token Routing (DPVR), a modality-asymmetric routing framework for efficient MLLMs. Its core instantiation, DPVR-LF (Late-Layer Fusion), routes vision tokens at the saturation point into a one-layer trainable side branch, runs a thirteen-layer text-only forward that skips image positions in the deep stack, and re-fuses the visual and textual streams only at the final layer. With approximately 3% trainable parameters, DPVR-LF preserves competitive multimodal performance on standard benchmarks while reducing visual computation in the deep Transformer stack. The results challenge the conventional assumption that vision tokens must traverse all deep language-model layers, and indicate that a single late fusion layer can be sufficient for maintaining strong perceptual competence in LLaVA-style MLLMs.
Authors: Zhou Du, Hamid Krim, Xiao Wu, Zhaoquan Yuan, Liangwei Li, Keisuke Fujii
Abstract: Recent advances in video multimodal models have significantly improved VideoQA performance. However, these systems often rely on spurious statistical correlations rather than answer-relevant causal evidence, resulting in unfaithful and brittle reasoning, especially in complex real-world scenarios. Existing methods either rely on cross-modality correlations, costly curated training resources, or insufficient causal assumptions and constraints, and typically operate at the time-interval level. As a result, they fail to explicitly disentangle causal visual cues from confounders and provide limited fine-grained evidence localization. To address this issue, we propose a Counterfactual Reasoning framework for fine-grained Evidence Disentanglement (CREDiT). CREDiT formulates the VideoQA process using a structural causal model and learns cross-modality representations that are explicitly decomposed into causal and non-causal components under independence and minimality constraints. To facilitate faithful disentanglement, we introduce feature-level causal interventions and construct counterfactual inputs that approximate causal effects while suppressing non-causal correlations. Extensive experiments on NExT-GQA, SportsQA, and SPORTU-video demonstrate that CREDiT consistently improves answer accuracy and reasoning reliability across both generic and complex sports scenarios, leading to more trustworthy VideoQA systems.
Authors: Alejandro Garc\'ia Gener, Alvaro Roll\'on de Pinedo
Abstract: Spiking neural networks (SNNs) are increasingly trained in a wide range of frameworks (SnnTorch, Lava, Norse, and others) each with its own model format. The Neuromorphic Intermediate Representation (NIR) addresses this fragmentation by providing a common, framework-independent format for exchanging trained SNN models. NIR solves the exchange problem, but it stops there. It provides a description of a network, not a path to running one. Each backend is still left to implement deployment on its own, with no shared, transformable compiler representation in between. This paper presents snn-mlir, an outof-tree MLIR dialect for SNNs together with a NIR-MLIR-C compilation bridge. The dialect provides a small set of typepolymorphic operations that work identically on floating-point (f32/f64) and quantized data, so a single intermediate representation serves both simulation and hardware-oriented deployment. A Python front end reads any NIR file and emits dialect IR, automatically inserting rescaling operations to keep quantization scales consistent across layers. A reference lowering pass converts the dialect to standard linalg and arith operations, from which the toolchain produces self-contained, dependency free C11 code that compiles and runs on any C-capable CPU or embedded target. We evaluate numerical fidelity against reference outputs, portability across CPU targets, and the cost of quantization. The current scope is feedforward, fully-connected networks with a CPU backend. snn-mlir is released as open source under the Apache-2.0 license with LLVM-exception and it is already available on Github.
Authors: George Theodosiou, Loukas Ilias, Dimitris Askounis
Abstract: Parkinson's disease (PD) is a progressive neurodegenerative disorder that frequently causes speech impairments associated with hypokinetic dysarthria. As speech production relies on the precise coordination of complex neuromuscular mechanisms, speech analysis has emerged as a promising non-invasive and cost-effective biomarker for early PD detection. Recent deep learning approaches have shown encouraging results; however, most existing methods rely on a single speech representation, potentially overlooking complementary pathological information encoded across different feature spaces. In this work, we propose a multi-branch deep learning framework for automatic PD detection from speech. Each recording is segmented into 5-second chunks and represented using three complementary modalities: Log-Mel spectrograms, MFCCs, and HuBERT embeddings extracted from raw waveforms. The spectrograms are processed using a pre-trained ResNet-18 encoder, MFCC sequences are modeled through a BiLSTM network, and raw speech is encoded using a pre-trained HuBERT model. To effectively integrate these heterogeneous representations, we introduce a context-guided cross-modal attention mechanism that dynamically weights temporal HuBERT embeddings according to the global acoustic context derived from the spectrogram and MFCC branches. Experiments conducted on the publicly available Spanish PC-GITA corpus under strict speaker-independent 5-fold cross-validation demonstrate the effectiveness of the proposed approach. The proposed architecture achieves an accuracy of 91.51%, an F1-score of 91.24%, and an AUC of 95.97%. Furthermore, ablation studies confirm the contribution of both the proposed context-guided cross-modal attention mechanism and the integration of complementary speech representations. These findings highlight the potential of heterogeneous speech modeling for robust and clinically reliable PD detection.
Authors: Haoran Xu, Hongyu Wang, Yifei Gao, Jiaze Li, Xiaofeng Zhang, Xiaosong Yuan
Abstract: On-policy distillation (OPD) trains a student on its own trajectories with dense per-token supervision from a stronger teacher, and often outperforms off-policy distillation and standard reinforcement learning. However, we find that its effectiveness implicitly relies on two assumptions that frequently break in practice: trajectory-level alignment between the student and the teacher, and uniform token-level reliability of the teacher's preferences. We therefore propose Sign-Gated On-Policy Distillation (SG-OPD), which uses a binary verifier as a trust signal for the teacher at two complementary granularities: phased teacher sampling mixes in verifier-endorsed teacher rollouts at cold-start, and a sign-consistency gate extrapolates the distillation update on tokens where the teacher agrees with the verifier-correct direction and interpolates it where it disagrees. Experiments on competition-level mathematical reasoning benchmarks show that SG-OPD consistently outperforms standard OPD, with average gains of 1.98 and 7.50 at the per-sample and per-question levels, respectively.
Authors: Shiyu Li, Zhiyuan Hu, Yifan Wang, Peiming Li, Zheng Wei, Yang Tang
Abstract: Omni-modal retrieval promises a single embedding space for text, image, video, document, and audio inputs, but building such a unified retriever is difficult since these modalities differ in data distribution, architecture, and optimization dynamics. In this work, we present Conan-embedding-v3, a decouple--fuse--recover framework for omni-modal retrieval. Conan-embedding-v3 first trains modality specialists independently and fuses their task vectors into a single dense backbone, a strategy we call Decoupled Specialist Fusion. We show that this fusion composes visual, video, and document retrieval capabilities, but also exposes a failure mode for projector-based modalities: when audio is attached through an external encoder and projector, fusing the backbone leaves the projector calibrated to the audio-specialist backbone, causing a large audio retrieval regression despite copying all audio-specific modules unchanged. We call this failure Projector Drift. To repair it, Conan-embedding-v3 applies Projector Recovery (i.e., full-parameter fine-tuning of the projector while keeping the backbone frozen) followed by balanced multi-modal rehearsal. The resulting model supports these retrieval pathways in one backbone, achieving 74.9 scores on MMEB while obtaining 55.61 on the 30-task MAEB audio suite.
Authors: Eduardo Borges, Manuel Abreu, Lu\'is Garrote, Urbano J. Nunes
Abstract: Re-Identification (ReID) in autonomous driving is typically formulated as a visual matching problem, where observations of vehicles, pedestrians, and cyclists are associated across time, frames, or camera views using learned appearance embeddings, often complemented by motion, geometric, or multimodal cues. However, purely visual representations may be sensitive to viewpoint, occlusion, illumination, and sensor-domain variations, limiting their interpretability and robustness in complex driving scenes. We propose a baseline study of a zero-shot pipeline using Vision-Language Models (VLMs) to generate textual descriptions of detected traffic participants and evaluate whether these descriptions can support identity matching across observations. Instead of relying only on low-level visual similarity, the proposed formulation represents each object through structured semantic attributes, including category, color, shape, pose, visible parts, spatial context, and distinctive visual cues. This study provides an initial benchmark for language-based re-identification in autonomous-driving scenarios, discussing and evaluating the strengths and limitations of current VLMs for this task. Results demonstrate that zero-shot semantic descriptions can support effective object re-identification, achieving retrieval performance comparable to a supervised CNN baseline while offering greater interpretability through explicit identity cues. However, the experiments also reveal important challenges, including attribute inconsistency across viewpoints and limited fine-grained discrimination between visually similar instances.
Authors: Ke Wang, Shuangqi Li, Mathieu Salzmann, Pascal Frossard
Abstract: Supervised fine-tuning (SFT) is an efficient approach for downstream task adaptation and often serves as the initialization stage for reinforcement learning (RL), but it can show weaker generalization than RL. A key limitation is its off-policy objective: SFT fits fixed demonstrations token by token, including targets poorly aligned with the model's pretrained distribution, which can lead to overfitting. A recent line of work addresses this issue by assigning larger training weights to tokens better aligned with the current model's predictive distribution, with the intuition that fitting these tokens are less distortive to the model's pretrained knowledge and representations. However, computing the token weights from the model that is currently fine-tuned entangles token weights with the optimization trajectory, inducing a self-reinforcing dynamics as the distribution rapidly departs from the pretrained model. To address this, we propose PriFT (Prior-support guided Fine-Tuning), which derives token weights from a frozen pretrained reference to obtain a stable reweighting signal unaffected by fine-tuning. This signal estimates prior support: the extent to which each target token is supported by the pretrained distribution. Across multiple existing token-reweighting rules, replacing the reweighting signal from the online model to pretrained model consistently improves performance. We introduce two instantiations: PriFT-prob uses pretrained token probability, while PriFT-mass selects tokens by cumulative probability mass under the pretrained distribution. Extensive experiments on mathematical reasoning, code generation, and medical question answering show that PriFT achieves state-of-the-art results among SFT baselines and provides a better initialization for subsequent RL training.
Authors: Timo Hei{\ss}, Julia Herbinger, Bernd Bischl, Giuseppe Casalicchio
Abstract: Feature interactions drive much of the predictive power of machine learning models, yet existing explanation methods only detect and quantify interactions without revealing their functional form, or visualize only restricted interaction types. We propose Surrogate-based Analysis of Interactions via Local effect Smooths (SAILS), a model-agnostic framework that analyzes pairwise interactions through interpretable generalized additive model (GAM) surrogates fitted to the local effects of a black-box model. For each interval of a feature of interest, the surrogate smooth terms isolate the interaction components on derivative level, enabling (i) interaction detection through a heuristic derived from significance tests on smooth terms, (ii) interaction form categorization into linear, product-separable, and non-product-separable types, and (iii) tailored, interpretable visualizations for each interaction type. We empirically validate the framework through controlled simulations and a real-world task, demonstrating its effectiveness for pairwise interactions, with limitations under strong feature correlations and higher-order interactions. SAILS fills a notable gap in the XAI toolbox, going beyond detection of interactions alone to characterizing their functional form.
Authors: Mina Remeli, Moritz Hardt
Abstract: Pairwise comparisons combined with aggregation methods like Elo have become central to evaluating generative models, yet concerns remain that they reward superficial stylistic cues or display judge biases. In a more positive turn, we show that model rankings from pairwise comparisons strongly agree with ground-truth-based accuracy rankings when such ground truth is available for comparison. By converting five well-known benchmarks into free-form generative evaluations, we find that Elo rankings achieve a Spearman correlation above 0.9 with accuracy rankings and substantially outperform direct evaluation when the judge is weak. Furthermore, style and judge bias have only minor effects on model rankings, despite most judgments occurring on pairs where both candidate answers are correct (or incorrect). On such pairs, we find that repetition after the final answer (echo) is a causal driver of judge preference.
Authors: Charles Westphal, Timothy Douglas, Keivan Navaie, Tiago Pimentel, Fernando E. Rosas
Abstract: Large language models can be fine-tuned to encode prompt-borne secrets into fluent, seemingly benign outputs. This creates a steganographic exfiltration risk that is difficult to detect with output-level steganalysis. Recent work proposes mechanistic detection using linear probes that recover the secret from internal activations. We show that this defense can be systematically evaded, but that detectability can be recovered through a targeted data-level intervention. First, we extend the detection setup to include a non-linear MLP probe. We then adversarially fine-tune steganographic trojans across five base models: Qwen3-8B, Llama-3.1-8B, Ministral-8B, Qwen3-14B, and Phi-4-14B. The resulting models retain $58$--$79\%$ exact-match secret recovery while evading both ridge and held-out MLP probes, with $1$--$8\%$ average capability degradation across six benchmarks. We then give an information-theoretic characterization of this evasion. Successful evasion preserves recoverability while reducing low-order extractability of the secret from the content-aligned representation, forcing the payload into synergistic interaction with residual degrees of freedom. This motivates a recontextualization dataset that restricts these residual degrees of freedom. On this distribution, both ridge and MLP detectability are restored across all five evasive trojans. Overall, our findings show that activation-based steganography detection is vulnerable to adaptive evasion, but also that theory-guided evaluation distributions can expose otherwise hidden payloads.
Authors: Agis Politis, Ren\'e Zurbr\"ugg, Valentina Cavinato
Abstract: Humans rely on spatially dense, geometry and force-aware tactile feedback at high temporal resolution for dexterous manipulation. While vision-based tactile sensors enable dense force estimation, they are limited by camera frame rates, motion blur, and data bandwidth. Event-based optical tactile sensors offer an attractive alternative with microsecond temporal resolution and low motion blur, but existing methods are restricted to predicting only net forces. We introduce the first framework for dense 3D force field reconstruction using event-based optical tactile sensors. Our approach estimates 3D surface displacements from event data and maps them to forces via the inverse Finite Elements Method (iFEM). Shear displacements are recovered through the proposed event-based marker tracking algorithm, while normal displacements are predicted by a convolutional neural network trained on a collected dataset of synchronized force-displacement-event data. Experiments demonstrate accurate reconstruction of physically grounded forces, achieving a mean absolute error of (0.14 N, 0.10 N, 0.93 N) over force ranges up to (4 N, 4 N, 20 N), while operating at an average of 100 Hz. This work constitutes a first step toward enabling dense force feedback for high-frequency control in robotic grasping and dexterous manipulation.
Authors: Valery Manokhin
Abstract: Probabilistic forecasters are increasingly learned, yet the baselines they are compared against are often weak or omitted. We show that the simplest possible conformal interval - a last-value point forecast wrapped in a finite-sample split-conformal residual quantile, with no parameters and no training - is a far stronger baseline than its near-total absence from recent learned-forecasting and conformal-time-series comparisons would suggest. In one-step-ahead online forecasting across 2,217 real series from nine public sources (Monash, LOTSA, the LTSF traffic/electricity/weather suites, METR-LA, BOOM, nips/probts), this ConformalNaive interval decisively beats the naive value-quantile baselines, the entire NPTS family (NPTS 73%, SeasonalNPTS 64% of series), and the published Conformal Seasonal Pools (CSP) method (71% of series, bootstrap 95% CI [69,73], paired Wilcoxon p approx 7.6e-135); it is on par with the simpler learned conformal predictors (RCI, quantile regression; median relative Winkler within 2%) and is beaten only by the adaptive-online and ensemble methods (SPCI, ACI, AgACI), which track distribution shift and lead by 9-33% relative Winkler. It is also better calibrated than a trained neural forecaster: on the six datasets that introduced DeepNPTS, the trivial floors cover the truth 84-85% of the time at a nominal 95%, versus DeepNPTS's 66%. At multi-step seasonal horizons the picture inverts: the random-walk floor is the weakest method and the seasonal pool (CSP) wins - a boundary we map. Finally we give ConformalNaive+, a one-line, training-free, horizon-adaptive selector that attains the better of two complementary floors at every horizon with restored coverage. We argue the matching conformal naive floor must be a mandatory baseline whenever a learned probabilistic forecaster claims gains.
Authors: Guillermo Del Pinal, Youngchan Lee, Calum McNamara, Alejandro Perez Carballo
Abstract: Work on `emergent misalignment' shows that finetuning LLMs on narrow tasks can induce broadly misaligned behavior. This supports the `persona selection' (PSM) hypothesis: during pre-training, LLMs learn to simulate different characters and perspectives, which can be elicited and refined during post-training. This paper investigates the converse phenomenon, `emergent alignment', and uses it to support and refine the PSM and motivate a novel desideratum for alignment. We finetune a helpful-only model on broad and narrow safety tasks. To create SFT samples, we follow the `Constitutional AI' (CAI) approach and use four constitutions which encode reasonable alignment strategies: deontology, consequentialism, virtue ethics, and aligning AIs as subordinate to human authority. For each of those models, we show that finetuning on two narrow safety sub-categories reliably induces emergent alignment over a representative set of general safety categories, and on safety subcategories that we directly filtered-out of the data sets used for narrow alignment. To test the `PSM' using a more fine-grained evaluation, we used a multidimensional `ethical persona' diagnostic. For each constitutionally finetuned (broad/narrow) model, we evaluate how well their behavior matches their expected signature profile. Our results show that our CAI models acquire their expected ``ethical persona'' -- e.g., the model narrowly fine-tuned on SFT samples created using the consequentialist constitution agrees significantly more with utilitarian than deontological beliefs. Yet our coarse and fine-grained evaluations show that there are significant differences across our (broad/narrow) finetuned CAI models in how well they project. We conclude that alignment strategies should be evaluated, not just on their (in-distribution) general safety performance, but also specifically on their degree of projectability.
Authors: Jorge Rodriguez-Ramos
Abstract: Single-Molecule Force Spectroscopy (SMFS) provides unprecedented insights into biomolecular mechanics, yet the high-throughput generation of force-extension trajectories creates a severe data curation bottleneck. Identifying rare molecular unbinding events within thousands of noise-dominated curves traditionally relies on tedious, non-scalable manual auditing. Here, we present a system-agnostic, interpretable deep learning framework tailored to overcome extreme class imbalance in automated SMFS triage. Utilizing 1D-to-2D rasterized geometric matrices, we deployed a modified ResNet18 architecture governed by an asymmetric Focal Loss objective function. We evaluated this framework on the complex mechanical unfolding pathways of the R. champanellensis cellulosome. Under hyper-imbalanced test conditions where the target interaction constituted only 1.34% of the dataset (13 true events out of 970 traces), the model achieved an overall accuracy of 0.9196 and a remarkable True Positive Rate (Recall) of 0.9231. By implementing an empirically calibrated dual-threshold triage system, the pipeline automatically discarded 880 unambiguous background noise traces , reducing the manual curation workload by over 90% while safely preserving high-value rare data. Finally, Gradient-weighted Class Activation Mapping (Grad-CAM) visually validated that the network's decisions are firmly anchored in the relevant geometric features of the force curves, specifically localizing on the structural unbinding regions, effectively mitigating 'black-box' skepticism. Built for free cloud-based execution, this open-source tool democratizes scalable, highly precise molecular discovery across the biophysics community.
Authors: Apratim Bhattacharyya, Shweta Mahajan, Sanjay Haresh, Rajeev Yasarla, Reza Pourreza, Litian Liu, Risheek Garrepalli, Roland Memisevic
Abstract: Learning everyday skills, like cooking a dish, relies increasingly on instructional media such as online videos. This opens the door to the use of video (and multimodal) large language models (LLMs) as task guidance assistants. A crucial capability for the real-world success of a prospective task guidance assistant is it's ability to intervene proactively as soon as a mistake is apparent in order to guide the user. To evaluate this crucial capability, we introduce Ego-MC-Bench (Mistake Corrections), a benchmark for evaluating reactive, step-by-step task guidance in realistic cooking scenarios. Extensive experiments show that Ego-MC-Bench is highly challenging for state-of-the-art video LLMs. We argue that a key reason is the limited availability of training data for fine-tuning models on this task. Although there exists a wide range of cooking video datasets, existing datasets lack examples of mistakes along with appropriately timed interventions. To help address this data limitation, we also introduce Ego-CoMist, a counterfactual synthetic dataset created by transforming non -interactive cooking videos into supervised training examples showing proactive interventions. We show that fine-tuning on Ego-CoMist yields performance gains especially for smaller and more efficient video LLMs that are well suited for delivering assistance on edge devices.
Authors: Mikele Milia, Louis Fabrice Tshimanga, Henning Mueller, Manfredo Atzori, Barbara Di Camillo
Abstract: Motivation: Transformer-based models are increasingly applied to large-scale single-cell transcriptomics, showing strong performance through self-supervised learning on millions of cells. However, most existing approaches treat genes as independent features, and largely ignore prior biological knowledge, which limits interpretability and robustness. In this paper, we explore whether explicitly incorporating gene regulatory information can improve both model performance and biological insight. Results: We present scTransformer, the first Transformer-based approach that builds a priori knowledge of biological mechanisms into the model's attention patterns. By constraining information flow according to known regulatory structures, the model learns representations that are more biologically meaningful. We evaluate scTransformer on a disease-relevant single-nucleus RNA-seq dataset using supervised cell-type classification. Compared to standard Transformers, our approach improves classification accuracy, enhances separation of cell types in embedding space, and produces attention patterns consistent with known regulatory programs. Overall, our results demonstrate that embedding biological structure into Transformer models can enhance interpretability without sacrificing performance, offering a principled step toward biologically grounded foundation models for single-cell omics.
Authors: Gilad Gressel, Rahul Pankajakshan, Julia Diament, Efim Hudis, Krishnashree Achuthan, Yisroel Mirsky
Abstract: As LLMs are deployed as agents, reliable monitoring requires knowing not only what they output, but which instructions are steering their behavior. This is difficult when models infer unintended subgoals, follow contextual cues, or are influenced by prompt injections and hidden objectives. While activation-to-language methods suggest that hidden states can reveal natural-language information, existing approaches are not designed to recover the full set of simultaneous instructions, constraints, prohibitions, and subgoals active in agentic settings. We formalize this problem as instruction set retrieval and introduce PRISM, an activation-conditioned interpreter that decodes hidden states from a frozen target model into a faithful bullet list of active instructions. Unlike prior activation-to-language methods, PRISM is trained to recover instruction sets directly, using judge-guided GRPO to reward covered instructions and penalize unsupported ones. Across benign, constrained, prompt-injection, and hidden-objective settings, PRISM outperforms activation-to-language baselines, especially on security-relevant objectives.
Authors: Yuling Shi, Caiqi Zhang, Yuexian Li, Haopeng Wang, Yeheng Chen, Nigel Collier, Xiaodong Gu
Abstract: Large language models (LLMs) are increasingly deployed as code generators, where silently wrong programs pose real safety and reliability risks. Reliable uncertainty estimation (UE) is essential for selective prediction, human-in-the-loop review, and downstream agentic decisions. Yet most existing code UE methods are inherited from natural language (NL) generation and ignore properties that make code distinct. We argue that code differs from NL in three ways: a single wrong token can break an entire program (token fragility); algorithmic intent and concrete implementation can disagree independently (intent-code gap); and programs can be executed (executability). We instantiate these properties as three orthogonal uncertainty axes: lexical (Top-K token entropy), algorithmic (pseudo-code consistency), and functional (behavioral consistency). Across five code LLMs, our three-axis ensemble improves average AUROC from 0.696 for the strongest NL-derived baseline to 0.776 (+8.1 points). Notably, on Qwen3-14B, our single-pass Top-K token entropy matches the strongest multi-pass baseline while being over 3x cheaper; across models, it remains a competitive low-cost signal. These results suggest that code UE deserves code-specific design rather than direct NL ports.
Authors: Haodi Hu, Chung-Ta Huang, Jing Liu, Ye Wang, Kei Suzuki, Matthew Brand, Toshiaki Koike-Akino
Abstract: Vision-language-action (VLA) policies provide strong priors for language-conditioned manipulation, but remain brittle in off-nominal states requiring targeted recovery. We propose ReCoVLA -- a failure-conditioned residual recovery framework that keeps a pretrained VLA policy frozen, uses an external vision-language model (VLM) to infer the failure mode and recovery stage, and compiles a structured reward from task-relevant components. Rather than using the VLM to generate actions or rewards directly, ReCoVLA uses it as a semantic reward selector: it predicts a recovery descriptor and reward mask for in-simulation residual-policy training, followed by zero-shot sim-to-real deployment of the trained recovery policies. This decouples high-level failure understanding from low-level corrective control to support different VLAs. Experiments across short-horizon, long-horizon, and contact-rich manipulation tasks show that ReCoVLA outperforms the tested baselines on average. In simulation, our reward compiler improves average success from 36.7% for the fine-tuned $\pi_{0.5}$ baseline to 66.7%. In physical zero-shot sim-to-real experiments, ReCoVLA achieves the best average performance, with 61.7% success.
Authors: Hetvi Shastri, Pragya Sharma, Walid A. Hanafy, David Irwin, Mani Srivastava, Prashant Shenoy
Abstract: Foundation models (FMs) are increasingly used as backbones for downstream tasks across language, vision, time-series, and multimodal applications. Yet existing model-serving systems deploy each customized task as an independent model instance, thereby replicating heavyweight backbones, wasting accelerator memory, and losing opportunities to amortize batching and loading costs. This paper presents FMplex, a serving system that treats FM backbones as a virtualization substrate for deployment sharing. FMplex presents each task with a virtual foundation model (vFM), a logically private FM instance backed by a shared physical FM. This abstraction lets independently customized tasks share a backbone while preserving task-specific extensions, independent lifecycles, and task-level isolation. In addition, we propose a batch-aware fair-queueing scheduler that combines weighted task-level sharing with inter- and intra-task batching across colocated tasks. We implement a FMplex-based serving stack spanning task construction, sharing-aware deployment, and runtime execution. Across 7 FM backbones (16 variants) and 92 downstream tasks, FMplex reduces latency by up to 80% over spatial partitioning and 33.3% over best-effort co-location, while hosting up to 6x more tasks at cluster scale.
Authors: Samuele Punzo, Niccol\`o Caselli, Ippokratis Pantelidis, Francesco Massafra, Salvatore Lo Sardo, Mohammadreza Salehi
Abstract: We study whether pretrained video foundation models encode intuitive-physics information in their frozen representations, and how this information varies across model families, layers, and probe types. Using frozen-feature probing on IntPhys2 and Minimal Video Pairs (MVP), we compare predictive joint-embedding models (V-JEPA), masked reconstruction models (VideoMAE), and a diffusion-based video generator (LTX-Video). V-JEPA achieves the strongest overall results across benchmarks, especially with probes that model temporal dynamics, while VideoMAE remains competitive and LTX-Video recovers weaker but non-trivial signal. Layerwise analyses show that physics-relevant information is weakest in early layers and becomes most accessible at intermediate-to-late depth, and temporal controls show that disrupting frame order substantially reduces performance, especially on MVP. Together, these results suggest that intuitive-physics knowledge emerges reliably in pretrained video representations, but its accessibility depends strongly on pretraining paradigm, representational depth, and readout mechanism.
Authors: Ang Li, Sean McLeish, Haozhe Chen, Nimit Kalra, Zaiqian Chen, Artem Gazizov, Venkata Anoop Suhas Kumar Morisetty, Bhavya Kailkhura, Harshitha Menon, Zhuang Liu, Brian R. Bartoldson, Tom Goldstein, Sanae Lotfi, Micah Goldblum, Pavel Izmailov
Abstract: Long-context language model inference is bottlenecked by memory, as the KV cache grows with context length. Recent techniques to compress the KV cache fall short: they either degrade model quality substantially or require considerable time and compute to compress a single long prompt. Furthermore, many methods require the input to fit within the target model's context window, and are generally incompatible with modern production inference engines. Encoder-decoder compressors, which map a long token sequence to a shorter sequence of latent embeddings consumed by a decoder, are an appealing alternative in principle. However, existing approaches are not competitive with KV cache compression on the accuracy-efficiency frontier. In this work, we revisit encoder-decoder compression and close this gap. We first perform an architecture search, pre-training many variants from scratch to determine how best to design and train encoder-decoder compressors. Guided by our findings, we continually pre-train a family of 0.6B-encoder, 4B-decoder models on over 350B tokens each, at compression ratios of 1:4, 1:8, and 1:16. We introduce Latent Context Language Models (LCLMs), a family of compressors that improve the Pareto frontier across general-task performance, compression speed, and peak memory usage. We demonstrate that LCLMs serve as efficient backbones for long-horizon agents, letting the agent skim through a compressed long context and adaptively expand relevant segments on demand.
Authors: Suraj Biswas, Saurabh Gupta, Pritam Mukherjee
Abstract: Ask a pretrained biomedical language model whether "cortisol 28 ug/dL" and "stock-market volatility" are related, and it returns a cosine similarity of 0.83 on a scale where 1.0 means identical. The two share no mechanism. This is not a corner case: every off-the-shelf biomedical encoder we tested (BioBERT, PubMedBERT, BioM-ELECTRA) scores unrelated cross-domain pairs between 0.76 and 0.92 when the answer should be near zero. Accuracy on cross-domain discrimination is 0%. Retrieval systems survive this, because a language model downstream filters the noise. A Large Behavioural Model (LBM), a foundation model whose subject is a person rather than a sentence, does not: it reasons over a graph of a user's life and treats embedding proximity as evidence that two events are causally linked. False proximity writes a false causal edge, and everything downstream inherits the error. Here, embedding geometry is not a tuning knob; it is correctness. We report the fix. A contrastive pass over 72,034 pairs raises PubMedBERT BIOSSES correlation from 0.633 to 0.828 and within-vs-across-domain separation from 1.05x to 1.63x. A second pass, BODHI, mines hard negatives from edges absent in a biomedical knowledge graph and lifts separation to 2.30x and the discrimination gap to +0.392, at a 4.5% BIOSSES cost. On an Intel Xeon 6737P with AMX, OpenVINO cuts single-query latency from 1367 ms to 10 ms (133x) and reaches 555 sentences/sec. One finding contradicts standard advice: FP16 beats INT8 on this silicon at every serving batch size, and we explain why. The same model on a no-AMX Ice Lake instance runs 13-27x slower. We release the benchmark suite, training corpora, the BODHI generator, and the OpenVINO scripts.
Authors: Qin Yang, Lu Malloy, Joshua Lee, Xiaohan Chang, Meisam Mohammady, Doowon Kim, Yuan Hong
Abstract: Large language model (LLM)-powered content moderation systems have become a critical defense against harmful online content. However, these systems primarily operate on tokenized text and largely ignore the visual cues that humans naturally rely on when interpreting content. We show that this discrepancy creates a fundamental perceptual mismatch: content that is readily recognized as harmful by humans can become effectively invisible to automated moderation systems. To study this vulnerability, we introduce a class of Human-Perceptible Adversarial Attacks (HPAA), in which harmful expressions are embedded into otherwise benign text through visually salient typographic manipulations. Our key insight is that typographic features, including spacing, visual emphasis, and spatial arrangement, can be strategically combined to preserve human recognition of harmful content while substantially reducing machine detectability. Operating in black-box settings with only a small query budget, our attack automatically generates evasive content without requiring model access or gradient information. We evaluate the attack across multiple datasets and ten deployed moderation systems, including commercial APIs and state-of-the-art open-source guardrails. Results reveal a striking gap between human and machine perception: with only three detector queries, generated attacks achieve over 86\% human recognition while maintaining detection rates below 1\% across the evaluated systems. We further conduct ablation studies to identify the typographic factors driving successful evasion, analyze why current moderation architectures fail to capture these signals, and discuss practical defenses. Our findings expose a fundamental blind spot in today's LLM-based moderation ecosystem and highlight need for moderation systems that reason about content in a manner more consistent with human perceptual understanding.
Authors: Blake Bullwinkel, Eugenia Kim, Amanda Minnich, Mark Russinovich
Abstract: AI red teaming must continually adapt to evolving attackers and defenders. Reinforcement learning offers a promising approach to discovering novel attacks, and co-training methods can produce more robust defenders in tandem. Recent works have demonstrated the efficacy of attacker-defender co-training by applying PPO and DPO, but report that GRPO is unstable in this setting. We introduce AdvGRPO, a co-training framework that makes GRPO viable for joint attacker-defender optimization using dense multi-channel rewards and decoupled advantage normalization. Training progresses through a curriculum from single-turn to closed-loop multi-turn attacks before bootstrapping co-training, where attacker and defender models are updated in alternation. We show that our method can produce highly effective and transferable attacks and that co-trained defenders outperform baselines on safety benchmarks.
Authors: Mohammad Beigi, Ming Jin, Lifu Huang
Abstract: Reward hacking is usually studied after it becomes visible, once a model earns high proxy reward while failing the intended task. We instead study what proxy RL teaches before that failure appears. We introduce Proxy Reward Internalization and Mechanistic Exploitation (PRIME), a learned capability to assess task correctness, predict proxy acceptance, and reason about exploitable proxy--gold gaps. In coding RL environments with exploitable pytest rewards, we measure PRIME through chain-of-thought monitoring, direct probes, and activation-level concept vectors. We find that PRIME emerges in a staged sequence before sustained reward hacking, and that its current direct-probe score forecasts later hack onset and severity even when the visible hack rate is still low. PRIME also adapts when the evaluator changes, retargeting to whichever proxy--gold gap remains rewarded and persisting when gold reward suppresses overt hacking, and ablating its activation directions reduces hacking. Across checkpoints, in-domain PRIME tracks out-of-domain misalignment. Together these results suggest that exploitable proxy RL amplifies a proxy-internalization capability upstream of visible hacking, making PRIME a candidate early-warning signal for broader alignment risk.
Authors: Brian Coyle, Snehal Raj, Virag Umathe, El Amine Cherrat, Elham Kashefi
Abstract: Training parameterised quantum circuits (PQCs) on quantum hardware is bottlenecked by the measurement cost of gradient estimation, which under the parameter-shift rule scales linearly in the number of trainable parameters and dominates the total shot budget of training at scale. In this work, we propose a framework of forward gradient estimators for PQCs, based on the forward mode of automatic differentiation, that yields an unbiased estimator of the gradient by averaging a freely tunable number of random directional derivatives and recovers SPSA, random coordinate descent, and the parameter-shift rule as limiting cases, with no ancilla qubits or controlled-gate overhead. We prove that stochastic quantum forward gradient descent converges under standard assumptions, with an explicit second-moment expansion that interpolates between the single-direction extreme of SPSA and the full-gradient extreme of parameter-shift. Within this framework we derive QUIVER (Quantum Iterative V-adaptive Estimator Rule), an adaptive optimiser for parameterised circuits whose update rule follows from a closed-form minimum measurement-cost allocation. We show numerically that forward gradients train Hamming-weight-preserving orthogonal quantum neural networks with up to 60 qubits and 1770 parameters on the ECG5000 and MNIST datasets orders of magnitude more efficiently than the parameter-shift rule. We also demonstrate that our proposed QUIVER optimiser can outperform iCANS and gCANS measurement-frugal optimisers on optimisation problems using the quantum approximate optimisation algorithm and quantum simulation with the variational quantum eigensolver.
Authors: Sherwin Varghese, Matthew Wicker, Alessio Lomuscio
Abstract: With AI increasingly deployed in safety-critical systems, providing formal robustness guarantees for the underlying models is essential. Existing verification methods either rely on overly conservative approximations or incur prohibitive computational costs. For example, the use of lp-norm perturbations in video settings encodes the belief that the adversary can inject noise in every video frame. In practice, adversarial perturbations exhibit structured spatial and temporal correlations, constrained to lower-dimensional, semantically meaningful subspaces. In this work, we study robustness verification of 3D CNNs processing video and volumetric inputs, targeting applications in action recognition (UCF-101), autonomous driving (Udacity), and medical imaging (MedMNIST) exploiting realistic assumptions on adversarial strength by modelling them as spatio-temporal constraints - where the attacker can modify either a subset of frames or patches within a set of consecutive frames. We demonstrate that modelling realistic constraints enables tighter approximations. We introduce Spatio-Temporal Bound Propagation (STBP), a verification framework that computes an exact closed-form characterization of the first convolutional layer and propagates certified bounds through subsequent layers using scalable approximations. Computing the exact closed form provides the tightest bounds for the first convolutional layer. Thus, we utilise approximation methods in the remainder of the network. To spur further progress in this field, we propose ST-Bench, a verification benchmark for autonomous driving and activity recognition, to systematically evaluate verifiable robustness. Compared to existing verification-based approaches, STBP provides stronger robustness guarantees with significantly improved scalability, achieving 1.7x higher certified robust accuracy under identical perturbation budgets.
Authors: Rishabh Sabharwal, Hongru Wang, Amos Storkey, Jeff Z. Pan
Abstract: Existing benchmarks for deep research agents (DRAs) assess only single-shot outputs, ignoring a key question: can DRAs improve their reports when guided by feedback? To investigate this, we conduct a multi-turn evaluation of DRAs under two feedback settings: self-reflection, in which the agent revises its report without any external diagnostic signal, and process-level feedback, in which the agent receives guidance targeting gaps in its research strategy. To enable process-level feedback, we design Research Gap Inference (RGI), a method that analyzes patterns of satisfied and unsatisfied rubric criteria to infer research-process gaps. Our analysis reveals three key findings: (i) under self-reflection, agents incorporate and regress on rubric criteria at nearly equal rates, yielding negligible net improvement; (ii) a single round of process-level feedback yields substantial gains, raising the normalized score by approximately $8$-$15$ points and yielding a roughly $35$-$40\%$ incorporation rate; (iii) these gains do not compound over subsequent turns, as agents regress on up to $24\%$ of previously satisfied criteria when rewriting the full report to address remaining gaps. Even with targeted guidance, reliable multi-turn improvement remains out of reach for the DRA architectures we evaluate. Our code and results are publicly available at https://github.com/sabharwalrishabh/Multi-Turn-Evaluation-of-DRAs.
URLs: https://github.com/sabharwalrishabh/Multi-Turn-Evaluation-of-DRAs.
Authors: Seongbin Park, Fan Zhang, Baharan Mirzasoleiman, Shahriar Talebi, Nader Sehatbakhsh
Abstract: Vision-Language-Action (VLA) models have demonstrated impressive end-to-end performance across a variety of robotic manipulation tasks. However, these policies offer no guarantees against collisions with task-irrelevant objects in the scene. Existing safety filters sidestep this problem by querying a vision-language model (VLM) to identify obstacles and their locations. This, however, is too slow to run in the control loop and can only be invoked at episode initialization, leaving the filter unable to track moving obstacles. We discover that a small number of attention heads within a VLA model reliably localize the object the policy intends to approach. These heads can be exploited within a training-free safety framework that obtains the active target from the attention heads at every step, treats the remainder of the scene as obstacles, and feeds these into a Control Barrier Function (CBF) filter. Together with a lightweight real-time object tracker, this allows for collision avoidance for non-static obstacles. We evaluate our framework on SafeLIBERO, which we extend with moving obstacles. On the original static benchmark, our method performs comparably to an oracle that uses privileged simulator state to identify the target, emulating a VLM-based identification step run once at episode initialization. On the dynamic variant, where the oracle's init-time target assignment becomes stale, our method substantially outperforms it by 43%, on average. Our findings suggest that the perceptual signals needed for real-time safety filtering are already present within VLA policies and can be exploited without additional training or heavy auxiliary models.
Authors: Quinn Pfeifer, Ethan Pronovost, Paarth Shah, Khimya Khetarpal, Siddhartha Srinivasa, Abhishek Gupta
Abstract: Parametric imitation learning via behavior cloning can suffer from poor generalization to out-of-distribution states due to compounding errors during deployment. We show that reusing the training data during inference via a semi-parametric retrieval-based imitation learning approach can alleviate this challenge. We present Difference-Aware Retrieval Policies for Imitation Learning (DARP), a semi-parametric retrieval-based imitation learning approach that addresses this limitation by reparameterizing the imitation learning problem in terms of local neighborhood structure rather than direct state-to-action mappings. Instead of learning a global policy, DARP trains a model to predict actions based on $k$-nearest neighbors from expert demonstrations, their corresponding actions, and the relative distance vectors between neighbor states and query states. DARP requires no additional assumptions beyond those made for standard behavior cloning -- it does not require additional data collection, online expert feedback, or task-specific knowledge. We demonstrate consistent performance improvements of 15-46% over standard behavior cloning across diverse domains, including continuous control and robotic manipulation, and across different representations, including high-dimensional visual features. Code and demos are available at https://weirdlabuw.github.io/darp-site/.
Authors: Alexander Chulzhanov, Soeren Eberhardt, Arjun Mukherjee
Abstract: Neural machine translation for digitally low-resource Indigenous languages is often hindered by extreme data scarcity, prompting reliance on extractive web-scraping. To ensure data sovereignty, this study introduces a data synthesis methodology to bootstrap NMT models without scraping target-language parallel text. Focusing on Q'eqchi' Mayan, we transformed community-sourced dictionaries into a massive synthetic corpus, utilizing Parameter-Efficient Fine-Tuning (PEFT) via LoRA adapters on an mT5-base model. In-domain evaluation demonstrates high structural acquisition (BLEU 42.02), proving that synthetic constraints effectively teach complex agglutinative morphology and VOS word order. However, evaluation against an organic glossary reveals a structural-semantic gap (BLEU 0.59), where the model maintains grammatical integrity but lacks the lexical grounding of natural language. The model exhibits overfitting to the constrained structural variance of the synthetic templates; despite high semantic entropy in the pipeline, it struggles with the syntactic fluidity of natural language, forcing organic inputs into rigid learned patterns. Furthermore, an ablation study utilizing a Multi-Task Learning architecture resulted in negative transfer, suggesting that auxiliary tasks competed for limited parameter capacity within the LoRA adapters, causing over-optimization for synthetic markers at the expense of organic flexibility. Ultimately, we establish that synthetic bootstrapping is a highly effective structural primer, but requires authentic data for semantic refinement via Curriculum Learning.
Authors: Badr AlKhamissi, Johannes Mehrer, Lara Marinov, Ahmed Abdelaal, Abdulkadir Gokce, Martin Schrimpf
Abstract: Nearby neurons in cortex share similar response profiles, producing systematic spatial organization across sensory and cognitive systems. Recent topographic models reproduce aspects of this structure but remain unimodal and spatially constrain each layer separately, yielding fragmented maps that capture neither the contiguity of cortical processing streams nor their integration across modalities. We introduce Topo-Omni, a topographic multimodal model in which visual, auditory, and language/cognitive processing share a single contiguous in-silico sheet. Built by fine-tuning a pretrained foundation model with a spatial smoothness objective, this architecture develops clusters across modalities that are consistent with human neuroimaging, from sensory to cognitive systems. Driving or suppressing a cluster selectively biases or impairs perception, paralleling human intervention studies. Finally, we use our model to screen for novel clusters in-silico and discover new natural landscape and animal networks which we validate in human data. A single spatial principle thus organizes representations across modalities and processing stages, yielding testable hypotheses about cortical organization.
Authors: Wayne King, Zeyue Xue, Yuxuan Bian, Jie Huang, Haoran Li, Yaowei Li, Yaofeng Su, Yuming Li, Haoyu Wang, Shiyi Zhang, Songchun Zhang, Yuwei Niu, Sihan Xu, Junhao Zhuang, Haoyang Huang, Nan Duan
Abstract: We present \textbf{Echo-Memory}, a controlled study of memory mechanisms in action-conditioned world models. These models generate multi-segment videos from a first frame, text prompt, and camera-action sequence, but their central failure is often memory rather than local image synthesis: after the camera leaves and returns, the scene or salient object may silently change. Existing memory designs are hard to compare because gains are entangled with backbone, training, retrieval, and evaluation differences. Echo-Memory fixes the action-to-video interface and varies only how history is stored and read by the generator. Under a shared video diffusion backbone, optimizer, camera-action representation, sampler, and evaluation pipeline, we compare raw context, compression-based memory, spatial summaries with different read-out paths, and state-space recurrence. This matched matrix separates four otherwise conflated axes: \emph{capacity}, \emph{compression}, \emph{read-out}, and \emph{recurrence}. We also evaluate memory through a three-branch protocol: replay quality, in-domain loop revisit, and open-domain return probes. The branches routinely disagree, showing that replay fidelity is not a sufficient proxy for remembering a world. Three findings follow. Raw context is a strong capacity baseline and improves open-domain return far more than it improves replay metrics. Compactness is not a free substitute for capacity: aggressive spatial and hybrid-compression memories lose the salient evidence needed for return. Finally, block-wise state-space recurrence is the strongest open-domain return mechanism in our matrix, showing that the structure of implicit memory matters as much as the decision to use it. These results provide a compact protocol for studying memory in action world models beyond isolated replay metrics.
Authors: Philipp Schmocker, Josef Teichmann
Abstract: We generalize the universal approximation theorem for functional input neural networks (FNN) to differentiable maps by including the approximation of the derivatives. A FNN maps the input from a possibly infinite-dimensional weighted manifold to the real-valued hidden layer, on which a non-linear scalar activation function is applied, and then returns the output into a Banach space via some linear readouts. By proving a weighted Nachbin theorem, we establish a universal approximation theorem (UAT) for differentiable maps, which goes beyond the usual formulation on compact sets and also includes the approximation of the derivatives. This leads us to approximation results for non-anticipative functionals including the horizontal and vertical derivatives. As a further application, we show that linear functions of the signature are able to approximate path space functionals including their directional derivatives.
Authors: Gabriel Vogel, Lukas Schulze Balhorn, Artur M. Schweidtmann
Abstract: We propose a novel method enabling autocompletion of chemical flowsheets. This idea is inspired by the autocompletion of text. We represent flowsheets as strings using the text-based SFILES 2.0 notation and learn the grammatical structure of the SFILES 2.0 language and common patterns in flowsheets using a transformer-based language model. We pre-train our model on synthetically generated flowsheet topologies to learn the flowsheet language grammar. Then, we fine-tune our model in a transfer learning step on real flowsheet topologies. Finally, we use the trained model for causal language modeling to autocomplete flowsheets. Eventually, the proposed method can provide chemical engineers with recommendations during interactive flowsheet synthesis. The results demonstrate a high potential of this approach for future AI-assisted process synthesis but also reveal the limitations at the present state and the next steps that need to be taken to deploy this technique in realistic flowsheet synthesis scenarios.
Authors: Laurent Condat, Ivan Agarsk\'y, Grigory Malinovsky, Peter Richt\'arik
Abstract: In distributed optimization and federated learning, slow and costly communication between parallel devices and the central server constitutes the primary bottleneck. To alleviate this burden, two strategies have emerged: 1) local training (LT), which reduces communication frequency by performing multiple local computations between rounds, and 2) compression (CC), which consists of transmitting lower-dimensional, compact representations. Recent theoretical advances have successfully combined LT and CC to achieve doubly-accelerated communication rates, with respect to both condition number and model dimension. However, these methods have a major drawback: they require full client participation and break down when idle clients miss communication triggers. We introduce TAMUNA, the first algorithm to successfully intertwine LT, CC, and partial participation. By decoupling primal model updates from dual control variates, TAMUNA overcomes the architectural deadlock of prior methods. In the strongly convex setting, TAMUNA converges linearly to the exact solution, establishing a new state of the art by exhibiting doubly-accelerated convergence, while supporting arbitrary levels of client participation.
Authors: Qinghe Gao, Artur M. Schweidtmann
Abstract: The transformation towards renewable energy and feedstock supply in the chemical industry requires new conceptual process design approaches. Recently, breakthroughs in artificial intelligence offer opportunities to accelerate this transition. Specifically, deep reinforcement learning, a subclass of machine learning, has shown the potential to solve complex decision-making problems and aid sustainable process design. We survey state-of-the-art research in reinforcement learning for process design through three major elements: (i) information representation, (ii) agent architecture, and (iii) environment and reward. Moreover, we discuss perspectives on underlying challenges and promising future works to unfold the full potential of reinforcement learning for process design in chemical engineering.
Authors: Ming Jin, Yaxuan Kong, Yuxuan Liang, Chaoli Zhang, Siqiao Xue, Xue Wang, James Zhang, Yi Wang, Haifeng Chen, Xiaoli Li, Vincent S. Tseng, Yu Zheng, Lei Chen, Hui Xiong, Shirui Pan, Qingsong Wen
Abstract: Temporal data, including time series and spatio-temporal data, are pervasive in real-world applications. Generated in massive volumes by physical and virtual sensors, they record dynamic system behaviors and enable a wide range of downstream tasks. Effectively analyzing such data is crucial to unlocking their rich information content. Recent advances in large language models and other foundation models have accelerated their use in time series and spatio-temporal data mining. These approaches not only improve pattern recognition and reasoning across diverse domains but also support progress toward artificial general intelligence that can understand and process temporal data. In this survey, we present a comprehensive, up-to-date review of large models tailored or adapted for time series and spatio-temporal data along four dimensions: data types, model categories, model scopes, and application areas/tasks. We organize existing work into two main groups: large models for time series analysis (LM4TS) and for spatio-temporal data mining (LM4STD), and further distinguish general-purpose from domain-specific models. We also curate related resources, including datasets, model implementations, and tools, organized by major application areas. Overall, this survey consolidates recent advances and highlights foundations, applications, resources, and open research opportunities in large model-centric temporal data analysis.
Authors: Lukas Schulze Balhorn, Marc Caballero, Artur M. Schweidtmann
Abstract: The process engineering domain widely uses Process Flow Diagrams (PFDs) and Process and Instrumentation Diagrams (P&IDs) to represent process flows and equipment configurations. However, the P&IDs and PFDs, hereafter called flowsheets, can contain errors causing safety hazards, inefficient operation, and unnecessary expenses. Correcting and verifying flowsheets is a tedious, manual process. We propose a novel generative AI methodology for automatically identifying errors in flowsheets and suggesting corrections to the user, i.e., autocorrecting flowsheets. Inspired by the breakthrough of Large Language Models (LLMs) for grammatical autocorrection of human language, we investigate LLMs for the autocorrection of flowsheets. The input to the model is a potentially erroneous flowsheet and the output of the model are suggestions for a corrected flowsheet. We train our autocorrection model on a synthetic dataset in a supervised manner. The model achieves a top-1 accuracy of 80% and a top-5 accuracy of 84% on an independent test dataset of synthetically generated flowsheets. The results suggest that the model can learn to autocorrect the synthetic flowsheets. We envision that flowsheet autocorrection will become a useful tool for chemical engineers.
Authors: Yicheng Li, Weiye Gan, Zuoqiang Shi, Qian Lin
Abstract: The generalization error curve of certain kernel regression method aims at determining the exact order of generalization error with various source condition, noise level and choice of the regularization parameter rather than the minimax rate. In this work, under mild assumptions, we rigorously provide a full characterization of the generalization error curves of the kernel gradient descent method (and a large class of analytic spectral algorithms) in kernel regression. Consequently, we could sharpen the near inconsistency of kernel interpolation and clarify the saturation effects of kernel regression algorithms with higher qualification, etc. Thanks to the neural tangent kernel theory, these results greatly improve our understanding of the generalization behavior of training the wide neural networks. A novel technical contribution, the analytic functional argument, might be of independent interest.
Authors: Myeongseob Ko, Feiyang Kang, Weiyan Shi, Ming Jin, Zhou Yu, Ruoxi Jia
Abstract: Large-scale black-box models have become ubiquitous across numerous applications. Understanding the influence of individual training data sources on predictions made by these models is crucial for improving their trustworthiness. Current influence estimation techniques involve computing gradients for every training point or repeated training on different subsets. These approaches face obvious computational challenges when scaled up to large datasets and models. In this paper, we introduce and explore the Mirrored Influence Hypothesis, highlighting a reciprocal nature of influence between training and test data. Specifically, it suggests that evaluating the influence of training data on test predictions can be reformulated as an equivalent, yet inverse problem: assessing how the predictions for training samples would be altered if the model were trained on specific test samples. Through both empirical and theoretical validations, we demonstrate the wide applicability of our hypothesis. Inspired by this, we introduce a new method for estimating the influence of training data, which requires calculating gradients for specific test samples, paired with a forward pass for each training point. This approach can capitalize on the common asymmetry in scenarios where the number of test samples under concurrent examination is much smaller than the scale of the training dataset, thus gaining a significant improvement in efficiency compared to existing approaches. We demonstrate the applicability of our method across a range of scenarios, including data attribution in diffusion models, data leakage detection, analysis of memorization, mislabeled data detection, and tracing behavior in language models. Our code will be made available at https://github.com/ruoxi-jia-group/Forward-INF.
Authors: Ehsan Imani, Kai Luedemann, Sam Scholnick-Hughes, Esraa Elelimy, Martha White
Abstract: It is becoming increasingly common in regression to train neural networks that model the entire distribution even if only the mean is required for prediction. This additional modeling often comes with performance gain and the reasons behind the improvement are not fully known. This paper investigates a recent approach to regression, the Histogram Loss, which involves learning the conditional distribution of the target variable by minimizing the cross-entropy between a target distribution and a flexible histogram prediction. We design theoretical and empirical analyses to determine why and when this performance gain appears, and how different components of the loss contribute to it. Our results suggest that the benefits of learning distributions in this setup come from improvements in optimization rather than modelling extra information. We then demonstrate the viability of the Histogram Loss in common deep learning applications without a need for costly hyperparameter tuning.
Authors: Tiejin Chen, Wenwang Huang, Linsey Pang, Dongsheng Luo, Hua Wei
Abstract: This paper delves into the critical area of deep learning robustness, challenging the conventional belief that classification robustness and explanation robustness in image classification systems are inherently correlated. Through a novel evaluation approach leveraging clustering for efficient assessment of explanation robustness, we demonstrate that enhancing explanation robustness does not necessarily flatten the input loss landscape with respect to explanation loss - contrary to flattened loss landscapes indicating better classification robustness. To deeply investigate this contradiction, a groundbreaking training method designed to adjust the loss landscape with respect to explanation loss is proposed. Through the new training method, we uncover that although such adjustments can impact the robustness of explanations, they do not have an influence on the robustness of classification. These findings not only challenge the prevailing assumption of a strong correlation between the two forms of robustness but also pave new pathways for understanding relationship between loss landscape and explanation loss.
Authors: Sihao Li, Zhe Tang, Kyeong Soo Kim, Jeremy S. Smith
Abstract: Conventional large-scale indoor localization based on Wi-Fi RSSI fingerprinting faces issues of time-consuming and labor-intensive labeled data collection, limited generalization of a model trained under a supervised learning (SL) framework due to its inability to leverage unlabeled data, and model performance degradation in dynamic scenarios with environmental variations. To address those challenging issues, we propose a comprehensive semi-supervised learning (SSL) framework for a deep neural network (DNN) localization model based on the Mean Teacher, which incorporates access point selection, model pre-training/cloning, and batch-level noise injection. The proposed SSL framework can not only efficiently use hybrid labeled/unlabeled databases for static training of a model during the offline phase, but also exploit unlabeled fingerprints from users of the indoor localization system deployed in the field for continuous retraining of the model during the online phase. We base the proposed SSL framework on the Mean Teacher because it can generate more stable target labels through an exponential moving average of model weights without incurring the high computational complexity of the Pi-Model and with better scalability for online learning than Temporal Ensembling, making it an optimal choice that strikes the right balance between performance and computational complexity in large-scale indoor localization. With the UJIIndoorLoc database, the proposed SSL framework reduces the mean 3D errors of the CNNLoc and SIMO-DNN models by 7.403% and 7.748%, respectively, compared with those under the conventional SL framework; with the XJTLU dynamic database, the maximum reduction in mean 2D error reaches up to 49.227% under a dynamic training scenario, demonstrating the substantial performance improvement achieved by the proposed SSL framework.
Authors: Yuhang Yao, Jianyi Zhang, Junda Wu, Chengkai Huang, Yu Xia, Tong Yu, Ruiyi Zhang, Sungchul Kim, Ryan Rossi, Ang Li, Lina Yao, Julian McAuley, Yiran Chen, Carlee Joe-Wong
Abstract: Large Language Models have achieved impressive performance across diverse applications, yet their training typically depends on centralized data collection, raising serious privacy and governance concerns. Federated Learning offers a decentralized alternative by enabling multiple clients to collaboratively train shared models without exposing raw local data. However, integrating FL with LLMs introduces new challenges, including data heterogeneity, convergence instability, communication overhead, and computational constraints. This survey provides a comprehensive and up-to-date overview of Federated Learning for Large Language Models (FedLLM). We systematically review recent advances, with particular emphasis on federated fine-tuning and federated prompt learning, and analyze how existing methods address efficiency, personalization, and security challenges. We further summarize emerging directions such as federated pre-training and federated agents. Our goal is to offer a structured perspective on this rapidly evolving field and to highlight promising avenues for future research.
Authors: Zhan-Lun Chang, Dong-Jun Han, Seyyedali Hosseinalipour, Mung Chiang, Christopher G. Brinton
Abstract: Most federated learning (FL) approaches assume a fixed device set. However, real-world scenarios often involve devices dynamically joining or leaving the system, driven by, e.g., user mobility patterns or handovers across cell boundaries. This dynamic setting introduces unique challenges: (1) the optimization objective evolves with the active device set, unlike traditional FL's static objective; and (2) the current global model may no longer serve as an effective initialization for subsequent rounds, potentially hindering adaptation, delaying convergence, and reducing resource efficiency. To address these challenges, we first provide a convergence analysis for FL under a dynamic device set, accounting for factors such as gradient noise, local training iterations, and data heterogeneity in this practical setting. Motivated by this analysis, we propose a model initialization algorithm that enables rapid adaptation whenever devices join or leave the network. Our key idea is to compute a weighted average of previous global models, guided by gradient similarity, to prioritize models trained on data distributions that closely align with the current device set, thereby accelerating recovery from distribution shifts in fewer training rounds. This plug-and-play algorithm is designed to integrate seamlessly with existing FL methods, offering broad applicability. Experiments demonstrate that our approach achieves convergence speedups typically an order of magnitude or more compared to baselines, which we show drastically reduces energy consumption to reach a target accuracy.
Authors: Omar Salemohamed, Laurent Charlin, Shivam Garg, Vatsal Sharan, Gregory Valiant
Abstract: We propose a general framework for end-to-end learning of data structures. Our framework adapts to the underlying data distribution and provides fine-grained control over query and space complexity. Crucially, the data structure is learned from scratch, and does not require careful initialization or seeding with candidate data structures/algorithms. We first apply this framework to the problem of nearest neighbor search. In several settings, we are able to reverse-engineer the learned data structures and query algorithms. For 1D nearest neighbor search, the model discovers optimal distribution (in)dependent algorithms such as binary search and variants of interpolation search. In higher dimensions, the model learns solutions that resemble k-d trees in some regimes, while in others, they have elements of locality-sensitive hashing. The model can also learn useful representations of high-dimensional data and exploit them to design effective data structures. We also adapt our framework to the problem of estimating frequencies over a data stream, and believe it could also be a powerful discovery tool for new problems.
Authors: Adam P. Generale, Andreas E. Robertson, Surya R. Kalidindi
Abstract: Learning to transform conditional probability densities over time is a fundamental challenge spanning probabilistic modeling and the natural sciences. This task is paramount when forecasting the evolution of stochastic nonlinear dynamical systems in biological and physical domains. While flow-based models can predict the temporal evolution of probability distributions, existing approaches often assume discrete conditioning with samples that are paired across time, limiting their scientific applicability where frequently only sparse data with unpaired continuous conditioning is available. We propose Conditional Variable Flow Matching (CVFM), a framework for learning flows transforming conditional distributions with amortization across the continuous space of conditional densities. CVFM addresses the high-variance instability of prior methods by jointly sampling flows over state and conditioning variables, utilizing a conditioning mismatch kernel alongside a conditional Wasserstein distance to reweight the conditional optimal transport objective. Collectively, these advances allow for learning dynamics from sparse unpaired measurements of state-condition across time. We evaluate CVFM on conditional mapping benchmarks and a case study modeling the temporal evolution of materials internal structure during manufacturing processes, observing improved performance and convergence characteristics over existing conditional variants. Code is available at https://github.com/agenerale/conditional-variable-flow-matching.
URLs: https://github.com/agenerale/conditional-variable-flow-matching.
Authors: Wenlong Liao, Chengrui Zhang, Zhe Yang, Mengshuo Jia, Christian Rehtanz, Jiannong Fang, Fernando Port\'e-Agel
Abstract: Deep learning models have shown strong performance in load forecasting, but they generally require large amounts of data for model training before being applied to new scenarios, which limits their effectiveness in data-scarce scenarios. Inspired by the great success of pre-trained language models (LLMs) in natural language processing, this paper proposes a zero and few shot load forecasting approach using an advanced LLM framework denoted as the Chronos model. By utilizing its extensive pre-trained knowledge, the Chronos model enables accurate load forecasting in data-scarce scenarios. Simulation results across five real-world datasets demonstrate that the Chronos model significantly outperforms nine popular baseline models for both deterministic and probabilistic load forecasting with various forecast horizons (e.g., 1 to 48 hours), even though the Chronos model is neither tailored nor fine-tuned to these specific load datasets. Notably, Chronos reduces root mean squared error (RMSE), continuous ranked probability score (CRPS), and quantile score (QS) by approximately 7.34%-84.30%, 19.63%-60.06%, and 22.83%-54.49%, respectively, compared to baseline models. These results highlight the superiority and flexibility of the Chronos model, positioning it as an effective solution in data-scarce scenarios.
Authors: Yilong Zhao, Shuo Yang, Kan Zhu, Lianmin Zheng, Baris Kasikci, Yang Zhou, Jiarong Xing, Ion Stoica
Abstract: Offline batch inference, which leverages the flexibility of request batching to achieve higher throughput and lower costs, is becoming more popular for latency-insensitive applications. Meanwhile, recent progress in model capability and modality makes requests more diverse in compute and memory demands, creating unique opportunities for throughput improvement by resource overlapping. However, a request schedule that maximizes resource overlapping can conflict with the schedule that maximizes prefix sharing, a widely-used performance optimization, causing sub-optimal inference throughput. We present BlendServe, a system that maximizes resource utilization of offline batch inference by combining the benefits of resource overlapping and prefix sharing using a resource-aware prefix tree. BlendServe exploits the relaxed latency requirements in offline batch inference to reorder and overlap requests with varied resource demands while ensuring high prefix sharing. We evaluate BlendServe on a variety of synthetic multi-modal workloads and show that it provides up to $1.44\times$ throughput boost compared to widely-used industry standards, vLLM and SGLang.
Authors: Lukas Schulze Balhorn, Kevin Degens, Artur M. Schweidtmann
Abstract: Control structure design is an important but tedious step in P&ID development. Generative artificial intelligence (AI) promises to reduce P&ID development time by supporting engineers. Previous research on generative AI in chemical process design mainly represented processes by sequences. However, graphs offer a promising alternative because of their permutation invariance. We propose the Graph-to-SFILES model, a generative AI method to predict control structures from flowsheet topologies. The Graph-to-SFILES model takes the flowsheet topology as a graph input and returns a control-extended flowsheet as a sequence in the SFILES 2.0 notation. We compare four different graph encoder architectures, one of them being a graph neural network (GNN) proposed in this work. The Graph-to-SFILES model achieves a top-5 accuracy of 73.2% when trained on 10,000 flowsheet topologies. In addition, the proposed GNN performs best among the encoder architectures. Compared to a purely sequence-based approach, the Graph-to-SFILES model improves the top-5 accuracy for a relatively small training dataset of 1,000 flowsheets from 0.9% to 28.4%. However, the sequence-based approach performs better on a large-scale dataset of 100,000 flowsheets. These results highlight the potential of graph-based AI models to accelerate P&ID development in small-data regimes but their effectiveness on industry relevant case studies still needs to be investigated.
Authors: Kamala Devi Kannan, Senthil Kumar Jagatheesaperumal, Rajesh N. V. P. S. Kandala, Mojtaba Lotfaliany, Roohallah Alizadehsanid, Mohammadreza Mohebbi
Abstract: For the early identification, diagnosis, and treatment of mental health illnesses, the integration of deep learning (DL) and machine learning (ML) have started playing a significant role. By evaluating complex data from imaging, genetics, and behavioral assessments, these technologies have the potential to improve clinical results significantly. However, they also present unique challenges relating to data integration and ethical issues. The development of ML and DL methods for the early diagnosis and treatment of mental health issues is reviewed in this survey. It examines a range of applications, with a particular emphasis on behavioral assessments, genetic and biomarker analysis, and medical imaging for the diagnosis of diseases like depression, bipolar disorder, and schizophrenia. Predictive modeling for illness development is further discussed in the review, focusing on the function of risk prediction models and longitudinal investigations. Important discoveries show how ML and DL might improve treatment outcomes and diagnostic accuracy while tackling methodological inconsistency, data integration, and ethical concerns. The study emphasizes the significance of building real-time monitoring systems for individualized treatment, improving data fusion techniques, and interdisciplinary collaboration. Upcoming studies should concentrate on surmounting these obstacles to maximize ML and DL's valuable and moral implementation in mental health services.
Authors: Jack Sandberg, Morteza Haghir Chehreghani
Abstract: Gaussian process (GP) bandits provide a powerful framework for performing blackbox optimization of unknown functions. The characteristics of the unknown function depend heavily on the assumed GP prior. Most work in the literature assume that this prior is known but in practice this seldom holds. Instead, practitioners often rely on maximum likelihood estimation to select the hyperparameters of the prior - which lacks theoretical guarantees. In this work, we study two algorithms for joint prior selection and regret minimization in GP bandits based on GP Thompson sampling (GP-TS): Prior-Elimination GP-TS (PE-GP-TS) that disqualifies priors with poor predictive performance, and HyperPrior GP-TS (HP-GP-TS) that utilizes a bi-level Thompson sampling scheme. We theoretically analyze the algorithms and establish a sublinear regret bound for HP-GP-TS. In addition, we demonstrate the effectiveness of these algorithms compared to the alternatives through extensive experiments with synthetic and real-world data.
Authors: Yao Wei, Matteo Toso, Pietro Morerio, Changjae Oh, Michael Ying Yang, Alessio Del Bue
Abstract: This paper presents a framework for generating 3D indoor scenes from text prompts. Existing methods often formulate scene synthesis as an object layout prediction problem conditioned on a single input modality, such as a text description, room shape, or scene graph. This design can lead to object collisions and limited functional plausibility, reducing its practical applicability. To address these limitations, we introduce a multi-stage pipeline that better reflects practical scene creation scenarios. Given a text prompt describing partial scene content, our method first uses graph diffusion to produce a contextually coherent scene graph and then predicts a realistic object layout. In addition, we incorporate lightweight human-object interaction priors to encourage human-centric and functional arrangements, with explicit spatial constraints to reduce interpenetration. Our approach generates coherent 3D scenes with viable layouts that better support human interaction. Experiments on the 3D-FRONT dataset demonstrate that our method achieves competitive or state-of-the-art performance compared with existing approaches, while improving the physical plausibility of generated scenes.
Authors: Patrick Seifner, Kostadin Cvejoski, David Berghaus, Cesar Ojeda, Ramses J. Sanchez
Abstract: Stochastic differential equations (SDEs) describe dynamical systems where deterministic flows, governed by a drift function, are superimposed with random fluctuations, dictated by a diffusion function. The accurate estimation (or discovery) of these functions from data is a central problem in machine learning, with wide application across the natural and social sciences. Yet current solutions either rely heavily on prior knowledge of the dynamics or involve intricate training procedures. We introduce FIM-SDE (Foundation Inference Model for SDEs), a pretrained recognition model that delivers accurate in-context (or zero-shot) estimation of the drift and diffusion functions of low-dimensional SDEs, from noisy time series data, and allows rapid finetuning to target datasets. Leveraging concepts from amortized inference and neural operators, we (pre)train FIM-SDE in a supervised fashion to map a large set of noisy, discretely observed SDE paths onto the space of drift and diffusion functions. We demonstrate that FIM-SDE achieves robust in-context function estimation across a wide range of synthetic and real-world processes -- from canonical SDE systems (e.g., double-well dynamics or weakly perturbed Lorenz attractors) to stock price recordings and oil-price and wind-speed fluctuations -- while matching the performance of symbolic, Gaussian process and Neural SDE baselines trained on the target datasets. When finetuned to the target processes, we show that FIM-SDE consistently outperforms all these baselines.
Authors: Felix Krumbiegel, Juniper Tyree, Michael Boy, Petri Clusius, Andreas Rupp
Abstract: Applying machine learning to increasingly high-dimensional problems with sparse or biased training data increases the risk that a model is used on inputs outside its training domain. For such out-of-distribution (OOD) inputs, the model can no longer make valid predictions, and its error is potentially unbounded. Since testing OOD detection methods on real-world datasets is complicated, we design a benchmark for OOD detection, which includes three novel and easily-visualisable toy examples. These simple examples provide direct and intuitive insight into whether the detector is able to detect (1) linear and (2) non-linear concepts and (3) identify thin in-distribution (ID) subspaces (needles) within high-dimensional spaces (haystacks). We use our benchmark to evaluate the performance of various methods from the literature. Since tactile examples of OOD inputs may benefit OOD detection, we also review several simple methods to synthesise OOD inputs for supervised training. We introduce two improvements, $t$-poking and OOD sample weighting, to make supervised detectors more precise at the ID-OOD boundary. This is especially important when conflicts between real ID and synthetic OOD sample blur the decision boundary. Finally, we provide recommendations for constructing and applying OOD detectors in machine learning.
Authors: Christoforos N. Spartalis, Theodoros Semertzidis, Petros Daras, Efstratios Gavves
Abstract: We present LoTUS, a novel Machine Unlearning (MU) method that eliminates the influence of training samples from pre-trained models, avoiding retraining from scratch. LoTUS smooths the prediction probabilities of the model up to an information-theoretic bound, mitigating its over-confidence stemming from data memorization. We evaluate LoTUS on Transformer and ResNet18 models against eight baselines across five public datasets. Beyond established MU benchmarks, we evaluate unlearning on ImageNet1k, a large-scale dataset, where retraining is impractical, simulating real-world conditions. Moreover, we introduce the novel Retrain-Free Jensen-Shannon Divergence (RF-JSD) metric to enable evaluation under real-world conditions. The experimental results show that LoTUS outperforms state-of-the-art methods in terms of both efficiency and effectiveness. Code: https://github.com/cspartalis/LoTUS.
Authors: Tewodros Alemu Ayall, Andy Li, Matthew Beddows, Milan Markovic, Georgios Leontidis
Abstract: Rapid global population growth underscores the need for digitally enabled agricultural systems that support sustainable food production and data-driven resource management for farmers and stakeholders. The adoption of Internet of Things (IoT) technologies, capable of capturing real-time environmental (e.g., temperature, humidity) and operational (e.g., irrigation) parameters, is a crucial step toward enabling advanced applications such as AI-based yield forecasting. However, the effectiveness of such models is often constrained by limited data availability, particularly in dynamic farm environments where IoT observations must be accumulated over multiple growing seasons. In this study, we deployed IoT sensors in strawberry production polytunnels over two growing seasons to collect data on water usage, internal and external temperature and humidity, soil moisture, soil temperature, and photosynthetically active radiation. These observations were combined with manually recorded yield data spanning four seasons. To address gaps in IoT data for the two seasons without sensor coverage, we developed an AI-based backcasting approach that synthesizes missing sensor observations using historical weather data from a nearby station and existing polytunnel measurements. We then trained AI-based yield forecasting models using both real and synthetic datasets. In this retrospective evaluation, results show that incorporating synthetic data improved yield forecasting accuracy, with models trained on the combined dataset outperforming those using only real sensor, weather, and yield data.
Authors: Yihong Tang, Menglin Kong, Junlin He, Tong Nie, Wei Ma, Lijun Sun
Abstract: Macro-aligned micro-records are crucial for credible simulations in social science and urban studies. For example, epidemic models are only reliable when individual-level mobility and contacts mirror real behavior, while aggregates match real-world statistics like case counts or travel flows. However, collecting such fine-grained data at scale is impractical, leaving researchers with only macro-level data. LLMSynthor addresses this by turning a pretrained LLM into a macro-aware simulator that generates realistic micro-records consistent with target macro-statistics. It iteratively builds synthetic datasets: in each step, the LLM generates batches of records to minimize discrepancies between synthetic and target aggregates. Treating the LLM as a nonparametric copula allows the model to capture realistic joint dependencies among variables. To improve efficiency, LLM Proposal Sampling guides the LLM to propose targeted record batches, specifying variable ranges and counts, to efficiently correct discrepancies while preserving realism grounded in the model's priors. Evaluations across domains (mobility, e-commerce, population) show that LLMSynthor achieves strong realism, statistical fidelity, and practical utility, making it broadly applicable to economics, social science, and urban studies.
Authors: Devan Shah, Shlomo Fortgang, Sofiia Druchyna, Elad Hazan
Abstract: We present the first provable method for identifying symmetric linear dynamical systems (LDS) with accuracy guarantees that are independent of the systems' state dimension or effective memory. Our approach builds upon recent work that represents symmetric LDSs as convolutions learnable via fixed spectral transformations. We show how to invert this representation, thereby recovering an LDS model from its spectral transform and yielding an end-to-end convex optimization procedure. This distillation preserves predictive accuracy while enabling constant-time and constant-space inference per token, independent of sequence length. We evaluate our method, SpectraLDS, as a component in sequence prediction architectures and demonstrate that accuracy is preserved while inference efficiency is improved on tasks such as language modeling.
Authors: C\'edric Goemaere, Gaspard Oliviers, Rafal Bogacz, Thomas Demeester
Abstract: Predictive Coding (PC) offers a brain-inspired alternative to backpropagation for neural network training, described as a physical system minimizing its internal energy. However, in practice, PC is predominantly digitally simulated, requiring excessive amounts of compute while struggling to scale to deeper architectures. This paper reformulates PC to overcome this hardware-algorithm mismatch. First, we uncover how the canonical state-based formulation of PC (sPC) is, by design, deeply inefficient in digital simulation, inevitably resulting in exponential signal decay that stalls the entire minimization process. Then, to overcome this fundamental limitation, we introduce error-based PC (ePC), a novel reparameterization of PC which does not suffer from signal decay. Though no longer biologically plausible, ePC numerically computes exact PC weights gradients and runs orders of magnitude faster than sPC. Experiments across multiple architectures and datasets demonstrate that ePC matches backpropagation's performance even for deeper models where sPC struggles. Besides practical improvements, our work provides theoretical insight into PC dynamics and establishes a foundation for scaling PC-based learning to deeper architectures on digital hardware and beyond.
Authors: Wei-Cheng Lee, Francesco Orabona
Abstract: We investigate the finite-time convergence properties of Temporal Difference (TD) learning with linear function approximation, a cornerstone of reinforcement learning. We are interested in the so-called ``robust'' setting, where the convergence guarantee does not depend on the potential function's minimal curvature. While prior work has established convergence guarantees in this setting, these results typically rely on the artificial assumption that each iterate is projected onto a bounded set. Removing such a condition was left as an open problem by Bhandari et al. (COLT'18), hypothesizing the need for additional ``regularity conditions''. In this paper, we show that the simple unprojected TD(0) converges with a rate of $\widetilde{\mathcal{O}}\left(\frac{\|\theta^*\|^2_2}{\sqrt{T}}\right)$ in expectation, even in the presence of Markovian noise. We do not require an additional regularity condition, but only a minor polylog correction to the learning rate. Our analysis reveals a novel self-bounding property of the TD updates and exploits it to guarantee bounded iterates.
Authors: Zhiyuan Liu, Yicun Yang, Yaojie Zhang, Junjie Chen, Chang Zou, Qingyan Wei, Shaobo Wang, Yichen Zhu, Linfeng Zhang
Abstract: Autoregressive Models (ARMs) have long dominated the landscape of Large Language Models. Recently, a new paradigm has emerged in the form of diffusion-based Large Language Models (dLLMs), which generate text by iteratively denoising masked segments. This approach has shown significant advantages and potential. However, dLLMs suffer from high inference latency. Traditional ARM acceleration techniques, such as Key-Value caching, are incompatible with dLLMs due to their bidirectional attention mechanism. To address this specific challenge, our work begins with a key observation that dLLM inference involves a static prompt and a partially dynamic response, where most tokens remain stable across adjacent denoising steps. Based on this, we propose dLLM-Cache, a training-free adaptive caching framework that combines long-interval prompt caching with partial response updates guided by feature similarity. This design enables efficient reuse of intermediate computations without compromising model performance. Extensive experiments on representative dLLMs, including LLaDA 8B and Dream 7B, show that dLLM-Cache achieves up to 9.1x FLOPs reduction on LongBench-HotpotQA while maintaining competitive output quality. Notably, our method brings dLLM inference latency close to that of ARMs under many settings. The code for this work is publicly available at: https://github.com/maomaocun/dLLM-cache.
Authors: Paulius Sasnauskas, Yi\u{g}it Yal{\i}n, Goran Radanovi\'c
Abstract: We study the corruption-robustness of in-context reinforcement learning (ICRL), focusing on the Decision-Pretrained Transformer (DPT, Lee et al., 2023). To address the challenge of reward poisoning attacks targeting the DPT, we propose a novel adversarial training framework, called Adversarially Trained DPT (AT-DPT). Our method simultaneously trains a population of attackers to minimize the true reward of the DPT by poisoning environment rewards, and a DPT model to infer optimal actions from the poisoned data. We evaluate the effectiveness of our approach against standard bandit algorithms, including robust baselines designed to handle reward contamination. Our results show that AT-DPT significantly outperforms them in bandit settings under a learned attacker, and generalizes to more complex environments such as adaptive attackers and MDPs. It shows promise in ICRL as a meta-RL approach to learning effective corruption-robust algorithms.
Authors: Wanqiao Xu, Allen Nie, Ruijie Zheng, Aditya Modi, Adith Swaminathan, Ching-An Cheng
Abstract: Interactively learning from observation and language feedback is an increasingly studied area driven by the emergence of large language model (LLM) agents. Despite impressive empirical demonstrations, so far a principled framing of these decision problems remains lacking. We formalize the Learning from Language Feedback (LLF) problem, assert sufficient assumptions to enable learning despite latent rewards, and introduce $\textit{transfer eluder dimension}$ as a measure to characterize the hardness of LLF. We formalize the intuition that information in the language feedback governs the learning complexity, and demonstrate cases where learning from rich language feedback can be exponentially faster than learning from reward. We develop a no-regret algorithm, called $\texttt{HELiX}$, that provably solves LLF problems through sequential interactions, with performance guarantees that scale with the transfer eluder dimension. Across several empirical domains, we show that $\texttt{HELiX}$ performs well even when repeatedly prompting LLMs does not work reliably. Our contributions mark an important step towards designing principled interactive learning algorithms using generic language feedback.
Authors: Jared Lawrence, Ari Kalinsky, Hannah Bradfield, Yair Carmon, Oliver Hinder
Abstract: We study the sample complexity of stochastic convex optimization when problem parameters such as the distance to optimality and the Lipschitz constant are unknown. We pursue two strategies. First, we develop a reliable model selection method that avoids overfitting to the validation set. This method allows us to generically tune the learning rate of stochastic optimization methods to match the optimal known-parameter sample complexity up to log log factors. Second, we develop a regularization-based method that is specialized to the case that only the distance to optimality is unknown. More specifically, it uses norm-regularized empirical risk minimization to estimate the distance to optimality to within a constant factor, allowing known-parameter stochastic optimization methods to achieve optimal sample complexity. This method provides perfect adaptability to unknown distance to optimality, demonstrating a separation between the sample and computational complexity of parameter-free stochastic convex optimization. Combining these two methods allows us to simultaneously adapt to multiple problem structures. Experiments performing few-shot learning on CIFAR-10 by fine-tuning CLIP models and prompt engineering Gemini to count shapes indicate that our reliable model selection method can help mitigate overfitting to small validation sets.
Authors: Xin Li
Abstract: Learning in non-stationary and multi-context environments requires more than ordinary within-task generalization. A system must also discover which contexts exist, route inputs to the correct context, preserve old contexts, and revise the context library when the environment changes. This paper presents Structural Learning Theory (StrLT) as a framework of filling this missing structural gap. StrLT complements Vapnik's Statistical Learning Theory (SLT): SLT governs the \emph{funnel}, prediction or control within a fixed regime; while StrLT governs the \emph{trap}, the discovery and maintenance of structural regimes. The core StrLT object is \emph{width}, the minimum number of locally feasible contexts needed to cover a problem. We summarize three basic results: width is incomparable with VC dimension; learning exhibits a phase transition at the true width; and width can be estimated by a contractive-similarity (CS) operator that converts task-induced non-contractivity into spectral separation. Under the StrLT framework, we explain how fixed-class structural learnability leads to a \emph{structural decoupling principle}: the mechanisms that maintain the structural scaffold should not be trained by the same gradients that optimize within-context flow. This principle motivates a scaffold-flow model in which alignment and generalization separate architecturally. Finally, we argue that several safety failures, including hallucination, reward-model boundary errors, and deceptive alignment, can be interpreted as scaffold-resolution or scaffold-preservation failures rather than merely output-level prediction errors.
Authors: Yash Vardhan Tomar
Abstract: Fairness audits are a key component of responsible machine-learning deployment. Yet, the reliability of audit recommendations under incomplete protected-label access is still poorly understood. In this work, we focused on protected-label missingness in fairness mitigation audits. We introduced a seed-calibrated stress test to separate missingness effects from seed-to-seed movement that is already present under complete labels. Across ACS/Folktables tasks, we found that positive-availability missingness usually does not move selected mitigation methods beyond the complete-label seed floor. The no-label endpoint behaves differently, exposing ERM-equivalent candidates and deterministic tie-breaking rather than a broad missingness effect. We also found that threshold optimization can turn single-axis fairness gains into above-null intersectional harm, a sharper failure pattern that appears to remain visible under random-forest validation. Overall, our results highlight that protected-label missingness should be reported with seed-null calibration, candidate-set context, and intersectional consequences before it is treated as evidence of audit fragility.
Authors: Naoki Sato, Hiroki Naganuma, Hideaki Iiduka
Abstract: Muon, a recently proposed optimizer that leverages the inherent matrix structure of neural network parameters, has demonstrated strong empirical performance, indicating its potential as a successor to standard optimizers such as AdamW. This paper presents theoretical analysis to support its practical success. We provide convergence proofs for Muon across four practical settings, systematically examining its behavior with and without the inclusion of Nesterov momentum and weight decay. We then demonstrate that the addition of weight decay ensures almost-sure boundedness of the parameter and gradient norms -- without relying on the commonly imposed bounded-gradient assumption -- and clarify the interplay between the weight decay coefficient and the learning rate. Finally, we derive a lower bound on the critical batch size for Muon -- the batch size that minimizes the stochastic first-order oracle (SFO) complexity of training. Because the resulting formula involves problem-dependent quantities that are not directly observable (gradient variance, target precision, effective rank), it does not predict the critical batch size in absolute terms; rather, it reveals how the hyperparameters $\beta$ (momentum) and $\lambda$ (weight decay) govern the qualitative scaling of this value. Our experiments validate these hyperparameter-dependent predictions across workloads including image classification and language modeling.
Authors: Prateek Chanda, Saral Sureka, Parth Pratim Chatterjee, Krishnateja Killamsetty, Nikhil Shivakumar Nayak, Ganesh Ramakrishnan
Abstract: Supervised fine-tuning performance for large language models depends strongly on how training budget is distributed across a heterogeneous set of tasks. In practice, mixtures are often fixed using simple heuristics (e.g., uniform or size-proportional sampling) that ignore task interactions, which can hurt transfer and waste budget on redundant sources. We introduce TaskPGM, a framework for learning continuous task mixtures via an energy-based model over tasks. Tasks form the nodes of a Markov random field: unary potentials capture per-task utility, and pairwise potentials encode inter-task relationships using behavioral divergences computed from predictive distributions of single-task fine-tuned models (e.g., Jensen--Shannon divergence and pointwise mutual information). Optimizing this objective yields mixtures that balance coverage against redundancy. We show that the resulting set function is weakly submodular under budget constraints, enabling approximation guarantees for discrete selection variants. Across multiple model families (LLaMA-7B, Qwen2-7B) and evaluation suites (BIG-Bench Hard), TaskPGM improves over standard mixing strategies and provides interpretable structure over task interactions.
Authors: Zhijian Zhou, Liuhua Peng, Xunye Tian, Mingming Gong, Feng Liu
Abstract: Are two distributions close to each other with statistical significance? Distribution closeness testing (DCT) formalizes this question by testing whether the distance between a distribution pair is at least epsilon-far. Existing DCT methods mainly measure discrepancies between distribution pairs defined on discrete spaces, for example using total variation, which limits their application to complex data such as images. To extend DCT to more types of data, a natural idea is to introduce maximum mean discrepancy (MMD), a powerful measure of distributional discrepancy between complex distributions, into DCT scenarios. However, empirical results indicate that many distribution pairs can have the same MMD value despite having different norms in the same reproducing kernel Hilbert space (RKHS). These pairs may exhibit different finite-sample distinguishability and reflect different practical closeness levels, making MMD less informative for DCT. To mitigate this issue, we design a new measure of distributional discrepancy, norm-adaptive MMD (NAMMD), which scales the MMD value using the RKHS norms of distributions. Based on the asymptotic distribution of NAMMD, we propose NAMMD-based DCT to assess the closeness level of a distribution pair. Theoretically, we prove that NAMMD-based DCT has higher test power than MMD-based DCT while maintaining bounded type-I error. This is further validated by extensive experiments on multiple types of data, including synthetic noise and real images. Our code is available at https://github.com/zhijianzhouml/NAMMD.
Authors: Anton Danholt Lautrup, Muhammad Rajabinasab, Tobias Hyrup, Arthur Zimek, Peter Schneider-Kamp
Abstract: We propose a new framework for generating tabular synthetic datasets via disjoint generative models. In this paradigm, a dataset is partitioned into disjoint subsets that are supplied to separate instances of generative models. The results are then combined post hoc by a joining operation that works in the absence of common variables/identifiers. The success of the framework is demonstrated through several case studies and examples on tabular data that help illuminate some of the design choices that one may make. The advantages achieved by the disjoint generation include: i) An observed increase in the empirical measurement of privacy. ii) Increased computational feasibility of certain model types. iii) Ability to generate synthetic data using a mixture of different generative models. Specifically, mixed-model synthesis bridges the gap between privacy and utility performance, providing highly competitive performance on Accuracy and Area Under the Curve for downstream tasks while significantly lowering the empirical re-identification risk.
Authors: Constantin Ruhdorfer, Matteo Bortoletto, Victor Oei, Anna Penzkofer, Andreas Bulling
Abstract: We introduce Unsupervised Partner Design (UPD), a population-free multi-agent reinforcement learning method for robust ad-hoc teamwork. UPD generates training partners on-the-fly and selects them adaptively based on a learnability criterion, removing the need for pre-trained partner populations or manual parameter tuning. We show that this simple mechanism enables effective partner diversity and can be extended to joint partner-environment selection when a procedural level generator is available. Across Level-Based Foraging, Overcooked-AI, and the Overcooked Generalisation Challenge, UPD consistently achieves strong performance compared to both population-based and population-free baselines. In a human-AI user study, agents trained with UPD achieve higher returns and are rated as more adaptive, more human-like, and less frustrating than all evaluated baseline methods.
Authors: Fernando Martinez-Lopez, Tao Li, Yingdong Lu, Juntao Chen
Abstract: Reinforcement learning (RL) agents often struggle to generalize to new tasks and contexts without updating their parameters, mainly because their learned representations and policies are overfit to the specifics of their training environments. To boost agents' in-context RL (ICRL) ability, this work formulates ICRL as a two-agent emergent communication problem and introduces CORAL (Communicative Representation for Adaptive RL), a framework that learns a transferable communicative context by functionally separating latent representation learning from control. In CORAL, an Information Agent (IA) is pre-trained as a world model on a diverse distribution of tasks. Its objective is not direct return maximization, but world modeling and distilling its understanding into concise messages. The emergent communication protocol is shaped by a novel Causal Influence Loss, which measures the effect that the message has on the next action. During deployment, the previously trained IA serves as a fixed contextualizer for a new Control Agent (CA), which learns to solve tasks by interpreting the provided communicative context. Our experiments demonstrate that this approach enables the CA to achieve significant gains in sample efficiency and successfully perform zero-shot adaptation with the help of pre-trained IA in diverse online and offline environments, validating the efficacy of learning a transferable communicative representation.
Authors: Omar Bacarreza, Thorin Farnsworth, Alexander Makarovskiy, Hugo Wallner, Tessa Hicks, Santiago Sempere-Llagostera, John Price, Robert J. A. Francis-Jones, William R. Clements
Abstract: Many successful families of generative models leverage a low-dimensional latent distribution that is mapped to a data distribution. Though simple latent distributions are often used, the choice of distribution has a strong impact on model performance. Recent experiments have suggested that the probability distributions produced by quantum processors, which are typically highly correlated and classically intractable, can lead to improved performance on some datasets. However, when and why latent distributions produced by quantum processors can improve performance, and whether these improvements are connected to quantum properties of these distributions, are open questions that we investigate in this work. We show in theory that, under certain conditions, these "quantum latent distributions" enable generative models to produce data distributions that classical latent distributions cannot efficiently produce. We provide intuition as to the underlying mechanisms that could explain a performance advantage on real datasets. Based on this, we perform extensive benchmarking on a synthetic quantum dataset and the QM9 molecular dataset, using both simulated and real photonic quantum processors. We find that the statistics arising from quantum interference lead to improved generative performance compared to classical baselines, suggesting that quantum processors can play a role in expanding the capabilities of deep generative models.
Authors: Jifan Zhang, Michelle M. Li, Elena Zheleva
Abstract: Causal disentanglement from soft interventions is identifiable under the assumptions of linear interventional faithfulness and availability of both observational and interventional data. Prior work has focused on unstructured observations without leveraging known relational context among measured entities. In many scientific applications, however, the measured variables come with an observed interaction network that provides structured context, such as protein-protein interactions and pathway-gene membership. We propose GraCE-VAE, a graph-aware causal discrepancy variational autoencoder that treats pathway-level information as an auxiliary view of the latent causal programs. The graph neural network encoder conditions on this auxiliary pathway view and the biological graph to improve amortized inference, while the causal decoder remains a latent SCM with soft interventions. Assuming samples are i.i.d. within each intervention regime, we show that GraCE-VAE inherits the identifiability guarantees of causal discrepancy VAEs and identifies the latent causal graph and intervention targets up to the standard equivalence class. Experiments on three CRISPR perturbation datasets demonstrate that leveraging structured biological context improves prediction of interventional outcomes, including unseen perturbation combinations.
Authors: Anand Gopalakrishnan, Robert Csord\'as, J\"urgen Schmidhuber, Michael C. Mozer
Abstract: The attention mechanism in a Transformer architecture matches key to query based on both content -- the what -- and position in a sequence -- the where. We present an analysis indicating that what and where are entangled in the popular RoPE rotary position embedding. This entanglement can impair performance particularly when decisions require independent matches on these two factors. We propose an improvement to RoPE, which we call Polar Coordinate Position Embeddings or PoPE, that eliminates the what-where confound. PoPE is far superior on a diagnostic task requiring indexing solely by position or by content. On autoregressive sequence modeling in music, genomic, and natural language domains, Transformers using PoPE as the positional encoding scheme outperform baselines using RoPE with respect to evaluation loss (perplexity) and downstream task performance. On language modeling, these gains persist across model scale, from 124M to 774M parameters. Crucially, PoPE shows strong zero-shot length extrapolation capabilities compared not only to RoPE but even a method designed for extrapolation, YaRN, which requires additional fine tuning and frequency interpolation.
Authors: Allen Schmaltz
Abstract: We introduce the Similarity-Distance-Magnitude (SDM) activation function, a more robust and interpretable formulation of the standard softmax activation function, adding Similarity (i.e., correctly predicted depth-matches into training) awareness and Distance-to-training-distribution awareness to the existing output Magnitude (i.e., decision-boundary) awareness, and enabling interpretability-by-exemplar via dense matching. We further introduce the SDM estimator, based on a data-driven partitioning of the class-wise empirical CDFs via the SDM activation, to control the class- and prediction-conditional accuracy among selective classifications. When used as the final-layer activation over pre-trained language models for selective classification, the SDM estimator is more robust to covariate shifts and out-of-distribution inputs than existing calibration methods using softmax activations, while remaining informative over in-distribution data.
Authors: Feihu Huang, Yuning Luo, Songcan Chen
Abstract: Large models recently are widely applied in machine learning, so efficient training of large models has received widespread attention. More recently, the useful Muon optimizer is specifically designed for matrix-structured parameters of large models. Although some works have begun to study the Muon optimizer, the existing Muon and its variants still suffer from high sample complexity or high memory for large models. To fill this gap, we propose a light and fast Muon (LiMuon) optimizer for training large models, which builds on the momentum-based variance reduced technique and randomized Singular Value Decomposition (SVD). In particular, our LiMuon simultaneously has a lower memory and lower sample complexity than the Muon and its variants. Moreover, we prove that our LiMuon with lower memory has a lower sample complexity of $O(\epsilon^{-3})$ for finding an $\epsilon$-stationary solution of non-convex stochastic optimization under the generalized smoothness condition. To further narrow practice and theory gap, we also prove that our LiMuon with Newton-Schulz steps has a lower sample complexity than the Muon with Newton-Schulz steps. Numerical experimental results on training Mamba-130M, Qwen2.5-0.5B and ViT models demonstrate effectiveness of our LiMuon.
Authors: Yuan Ni, Zhantao Chen, Shizhou Xu, Cheng Peng, Rajan Plumley, Chun Hong Yoon, Jana B. Thayer, Joshua J. Turner
Abstract: Scientific data acquisition continues to outpace storage and analysis capabilities, making voxel-based representations increasingly intractable. Implicit neural representations (INRs) offer a promising solution by encoding signals through coordinate-based neural networks, serving as surrogates of data, with computational and storage requirements scaling with network complexity rather than data dimensionality. However, smaller INRs struggle to faithfully represent the multi-scale structures, high-frequency information, and fine textures that constitute a large proportion of scientific measurements. We propose WIEN-INR, a theoretically-guided hierarchical INR framework that distributes modeling across resolution scales and enables improved representation capacity through a novel enhancement network to recover subtle details. This multi-scale architecture allows smaller networks to retain the full spectrum of information while preserving training efficiency and lowering storage cost. Evaluated on distinct raw experimental measurements across scales and complexities, WIEN-INR represents a practical step toward broader adoption of neural representations in scientific workflows, delivering compact, robust, and high-fidelity representations.
Authors: Haofeng Huang, Yifei Han, Long Zhang, Bin Li, Yangfan He, Yaxin Xue
Abstract: Multimodal intent recognition (MMIR) suffers from weak semantic grounding and poor robustness under noisy or rare-class conditions. We propose MVCL-DAF++, which extends MVCL-DAF with two key modules: (1) Prototype-aware contrastive alignment, aligning instances to class-level prototypes to enhance semantic consistency; and (2) Coarse-to-fine attention fusion, integrating global modality summaries with token-level features for hierarchical cross-modal interaction. On MIntRec and MIntRec2.0, MVCL-DAF++ achieves new state-of-the-art results, improving rare-class recognition by +1.05\% and +4.18\% WF1, respectively. These results demonstrate the effectiveness of prototype-guided learning and coarse-to-fine fusion for robust multimodal understanding. The source code is available at https://github.com/chr1s623/MVCL-DAF-PlusPlus.
Authors: Yunchen Li, Shaohui Lin, Zhou Yu
Abstract: This paper investigates the theoretical behavior of generative models under finite training populations. Within the stochastic interpolation generative framework, we derive closed-form expressions for the optimal velocity field and score function when only a finite number of training samples are available. We demonstrate that, under some regularity conditions, the deterministic generative process exactly recovers the training samples, while the stochastic generative process manifests as training samples with added Gaussian noise. Beyond the idealized setting, we consider model estimation errors and introduce formal definitions of underfitting and overfitting specific to generative models. Our theoretical analysis reveals that, in the presence of estimation errors, the stochastic generation process effectively produces convex combinations of training samples corrupted by a mixture of uniform and Gaussian noise. Experiments on generation tasks and downstream tasks such as classification support our theory.
Authors: Maedeh Zarvandi, Michael Timothy, Theresa Wasserer, Debarghya Ghoshdastidar
Abstract: Self-supervised learning (SSL) learns representations from massive unlabeled data, yet the resulting models typically operate as black boxes, necessitating domain-specific explanations. We introduce KREPES, a unified framework to analytically interpret the learned representations of SSL objectives, including SimCLR, BYOL, and VICReg. By bridging empirical neural tangent kernel approximations of neural networks with the Representer Theorem for kernels, we express the learned latent space directly via "Representer Landmarks", which are the representations of influential unlabeled training examples. We introduce novel metrics, "Sample-Specific Influence Score", "Concept-Conditioned Influence Score" and "Feature Alignment Gap", to quantify the transparency of the learned representations. KREPES enables direct audit of the latent space without supervision, for example, revealing an algorithmic bias in the Adult-1M dataset where SSL uses demographic proxies for income. Finally, to ensure scalability to benchmarks with 1M+ samples (ImageNet-1K, Adult-1M), KREPES introduces a novel Nystr\"om approximation-based analytical inference framework for SSL objectives.
Authors: David Berghaus, Patrick Seifner, Kostadin Cvejoski, C\'esar Ojeda, Rams\'es J. S\'anchez
Abstract: Modeling event sequences of multiple event types with marked temporal point processes (MTPPs) provides a principled way to uncover governing dynamical rules and predict future events. Current neural network approaches to MTPP inference rely on training separate, specialized models for each target system. We pursue a radically different approach: drawing on amortized inference and in-context learning, we pretrain a deep neural network to infer, in-context, the conditional intensity functions of event histories from a context defined by sets of event sequences. Pretraining is performed on a large synthetic dataset of MTPPs sampled from a broad distribution of Hawkes processes. Once pretrained, our Foundation Inference Model for Point Processes (FIM-PP) can estimate MTPPs from real-world data without any additional training, or be rapidly finetuned to target systems. Experiments show that this amortized approach matches the performance of specialized models on next-event prediction across common benchmark datasets.
Authors: Guolei Zeng, Hezhe Qiao, Guoguo Ai, Jinsong Guo, Guansong Pang
Abstract: Graph anomaly detection (GAD) has attracted growing interest for its crucial ability to uncover irregular patterns in broad applications. Semi-supervised GAD, which assumes a subset of annotated normal nodes available during training, is among the most widely explored application settings. However, the normality learned by existing semi-supervised GAD methods is limited to the labeled normal nodes, often inclining to overfitting the given patterns. These can lead to high detection errors, such as high false positives. To overcome this limitation, we propose GraphNC , a graph normality calibration framework that leverages both labeled and unlabeled data to calibrate the normality from a teacher model (a pre-trained semi-supervised GAD model) jointly in anomaly score and node representation spaces. GraphNC includes two main components, anomaly score distribution alignment (ScoreDA) and perturbation-based normality regularization (NormReg). ScoreDA optimizes the anomaly scores of our model by aligning them with the score distribution yielded by the teacher model. Due to accurate scores in most of the normal nodes and part of the anomaly nodes in the teacher model, the score alignment effectively pulls the anomaly scores of the normal and abnormal classes toward the two ends, resulting in more separable anomaly scores. Nevertheless, there are inaccurate scores from the teacher model. To mitigate the misleading by these scores, NormReg is designed to regularize the graph normality in the representation space, making the representations of normal nodes more compact by minimizing a perturbation-guided consistency loss solely on the labeled nodes.
Authors: Yanlong Wang, Hang Yu, Jian Xu, Fei Ma, Hongkang Zhang, Tongtong Feng, Zijian Zhang, Shao-Lun Huang, Danny Dongning Sun, Xiao-Ping Zhang
Abstract: Large time series foundation models often adopt channel-independent architectures to handle varying data dimensions, but this design ignores crucial cross-channel dependencies. Meanwhile, existing cross-modal methods predominantly rely on textual modalities, leaving the spatial pattern recognition capabilities of vision models underexplored for time series analysis. To address these limitations, we propose VFEM, a cross-modal forecasting model that leverages pre-trained large vision models (LVMs) to capture complex cross-variable patterns. VFEM transforms multivariate time series into visual representations, enabling LVMs to perceive spatial relationships that are not explicitly modeled by channel-independent models. Through a dual-branch architecture, visual and temporal features are independently extracted and then fused via cross-modal attention, allowing complementary information from both modalities to enhance forecasting. By freezing the LVM and training only 7.45% of the total parameters, VFEM achieves competitive performance on multiple benchmarks, offering a new perspective on multivariate time series forecasting.
Authors: Dang Nguyen, Sunil Gupta, Kien Do, Thin Nguyen, Taylor Braund, Alexis Whitton, Svetha Venkatesh
Abstract: Oversampling is one of the most widely used approaches for addressing imbalanced classification. The core idea is to generate additional minority samples to rebalance the dataset. Most existing methods, such as SMOTE, require converting categorical variables into numerical vectors, which often leads to information loss. Recently, large language model (LLM)-based methods have been introduced to overcome this limitation. However, current LLM-based approaches typically generate minority samples with limited diversity, reducing robustness and generalizability in downstream classification tasks. To address this gap, we propose a novel LLM-based oversampling method designed to enhance diversity. First, we introduce a sampling strategy that conditions synthetic sample generation on both minority labels and features. Second, we develop a new permutation strategy for fine-tuning pre-trained LLMs. Third, we fine-tune the LLM not only on minority samples but also on interpolated samples to further enrich variability. Extensive experiments on 10 tabular datasets demonstrate that our method significantly outperforms eight SOTA baselines. The generated synthetic samples are both realistic and diverse. Moreover, we provide theoretical analysis through an entropy-based perspective, proving that our method encourages diversity in the generated samples.
Authors: Yang Li, Ruichen Zhang, Yinqiu Liu, Guangyuan Liu, Abbas Jamalipour, Xianbin Wang, Dong In Kim
Abstract: The rapid advancement of Low-Altitude Economy Networks (LAENets) has enabled a variety of applications, including aerial surveillance, environmental sensing, and semantic data collection. To support these scenarios, unmanned aerial vehicles (UAVs) equipped with onboard vision-language models (VLMs) offer a promising solution for real-time multimodal inference. However, ensuring both inference accuracy and communication efficiency remains a significant challenge due to limited onboard resources and dynamic network conditions. In this paper, we first propose a UAV-enabled LAENet system model that jointly captures UAV mobility, user-UAV communication, and the onboard visual question answering (VQA) pipeline. Based on this model, we formulate a mixed-integer non-convex optimization problem to minimize task latency and power consumption under user-specific accuracy constraints. To solve the problem, we design a hierarchical optimization framework composed of two parts: (i) an Alternating Resolution and Power Optimization (ARPO) algorithm for resource allocation under accuracy constraints, and (ii) a Large Language Model-augmented Reinforcement Learning Approach (LLaRA) for adaptive UAV trajectory optimization. The large language model (LLM) serves as an expert in refining reward design of reinforcement learning in an offline fashion, introducing no additional latency in real-time decision-making. Numerical results demonstrate the efficacy of our proposed framework in improving inference performance and communication efficiency under dynamic LAENet conditions.
Authors: Amin Omidvar
Abstract: The choice of activation function plays a critical role in neural networks, yet most architectures still rely on fixed, uniform activation functions across all neurons. We introduce SmartMixed, a novel two-phase training strategy that allows networks to learn optimal per-neuron activation functions while preserving computational efficiency at inference. In the first phase, neurons adaptively select from a pool of candidate activation functions (ReLU, Sigmoid, Tanh, Leaky\_ReLU, ELU, SELU) using a differentiable hard mixture mechanism. In the second phase, each neuron's activation function is fixed according to the learned selection, resulting in a computationally efficient network that supports continued training with optimized vectorized operations. We evaluate SmartMixed on the MNIST dataset using feedforward neural networks of different architectures. Our analysis reveals that neurons in different layers exhibit distinct preferences for activation functions, providing insights into the functional diversity within neural architectures. We also demonstrated that SmartMixed effectively trains the network by allowing neurons to select their preferred activation functions, competing against models using a single fixed state-of-the-art activation function.
Authors: Donghee Lee, Hye-Sung Lee, Jaeok Yi
Abstract: We present the bulk--boundary decomposition as a new framework for understanding the training dynamics of deep neural networks. Starting from the stochastic gradient descent formulation, we show that the Lagrangian can be reorganized into a data-independent bulk term and a data-dependent boundary term. The bulk captures the intrinsic dynamics set by network architecture and activation functions, while the boundary reflects stochastic interactions from training samples at the input and output layers. This decomposition exposes the local and homogeneous structure underlying deep networks. As a physical consequence of locality and homogeneity, we derive the energy continuity equation within a deep neural network.
Authors: Kimia Kazemian (Department of Computer Science, Cornell University), Zhenzhen Liu (Department of Computer Science, Cornell University), Yangfanyu Yang (Department of Information Science, Cornell University), Katie Luo (Department of Computer Science, Stanford University), Shuhan Gu (Department of Computer Science, Cornell University), Audrey Du (Department of Computer Science, Cornell University), Xinyu Yang (Department of Information Science, Cornell University), Jack Jansons (Department of Computer Science, Cornell University), Kilian Q. Weinberger (Department of Computer Science, Cornell University), John Thickstun (Department of Computer Science, Cornell University), Yian Yin (Department of Information Science, Cornell University), Sarah Dean (Department of Computer Science, Cornell University)
Abstract: Social and collaborative platforms emit multivariate time-series traces in which early interactions -- such as views, likes, or downloads -- are followed, sometimes months or years later, by higher impact like citations, sales, or reviews. We formalize this setting as Lead-Lag Forecasting (LLF): given an early usage channel (the lead), predict a correlated but temporally shifted outcome channel (the lag). Despite the ubiquity of such patterns, LLF has not been treated as a unified forecasting problem within the time-series community, largely due to the absence of standardised datasets. To anchor research in LLF, here we present two high-volume benchmark datasets: arXiv (accesses -> citations of 2.3M papers) and GitHub (pushes/stars -> forks of 3M repositories). Our datasets provide ideal testbeds for lead-lag forecasting, by capturing long-horizon dynamics across years, spanning the full spectrum of outcomes, and avoiding survivorship bias in sampling. We documented all technical details of data curation and cleaning, verified the presence of lead-lag dynamics through statistical and classification tests, and benchmarked parametric and non-parametric baselines for regression. Our study establishes LLF as a novel forecasting paradigm and lays an empirical foundation for its systematic exploration in social and usage data.
Authors: Giorgio Morales, John W. Sheppard
Abstract: Symbolic regression (SR) models complex systems by discovering mathematical expressions that capture underlying relationships in observed data. However, most SR methods prioritize minimizing prediction error over identifying the governing equations, often producing overly complex or inaccurate expressions. To address this, we present a decomposable SR method that generates interpretable multivariate expressions leveraging transformer models, genetic algorithms (GAs), and genetic programming (GP). In particular, our explainable SR method distills a trained ``opaque'' regression model into mathematical expressions that serve as explanations of its computed function. Our method employs a Multi-Set Transformer to generate multiple univariate symbolic skeletons that characterize how each variable influences the opaque model's response. We then evaluate the generated skeletons' performance using a GA-based approach to select a subset of high-quality candidates before incrementally merging them via a GP-based cascade procedure that preserves their original skeleton structure. The final multivariate skeletons undergo coefficient optimization via a GA. We evaluated our method on problems with controlled and varying degrees of noise, demonstrating lower or comparable interpolation and extrapolation errors compared to two GP-based methods, three neural SR methods, and a hybrid approach. Unlike them, our approach consistently learned expressions that matched the original mathematical structure. Similarly, our method achieved both a high symbolic solution recovery rate and competitive predictive performance relative to benchmark methods on the Feynman dataset.
Authors: Tzu-Yuan Huang, Armin Lederer, Dai-Jie Wu, Xiaobing Dai, Sihua Zhang, Hsiu-Chin Lin, Shao-Hua Sun, Stefan Sosnowski, Sandra Hirche
Abstract: Flow matching (FM) has shown promising results in data-driven planning. However, it inherently lacks formal guarantees for ensuring state and action constraints, whose satisfaction is a fundamental and crucial requirement for the safety and admissibility of planned trajectories on various systems. Moreover, existing FM planners do not ensure the dynamical consistency, which potentially renders trajectories inexecutable. We address these shortcomings by proposing SAD-Flower, a novel framework for generating Safe, Admissible, and Dynamically consistent trajectories. Our approach relies on an augmentation of the flow with a virtual control input. Thereby, principled guidance can be derived using techniques from nonlinear control theory, providing formal guarantees for state constraints, action constraints, and dynamic consistency. Crucially, SAD-Flower operates without retraining, enabling test-time satisfaction of unseen constraints. Through extensive experiments across several tasks, we demonstrate that SAD-Flower outperforms various generative-model-based baselines in ensuring constraint satisfaction.
Authors: Fabian Kresse, Christoph H. Lampert
Abstract: Deploying continuous-control reinforcement learning policies on embedded hardware requires meeting tight latency and power budgets. Small FPGAs can deliver these, but only if costly floating-point pipelines are avoided. We study quantization-aware training (QAT) of policies for integer inference and we present a learning-to-hardware pipeline that automatically selects low-bit policies and synthesizes them to an Artix-7 FPGA. Across five MuJoCo tasks, we obtain policy networks that are competitive with full precision (FP32) policies but require as few as 3 or even only 2 bits per weight, and per internal activation value, as long as input precision is chosen carefully. On the target hardware, the selected policies achieve inference latencies on the order of microseconds and consume microjoules per action, favorably comparing to a quantized reference. Last, we observe that the quantized policies exhibit increased input noise robustness compared to the floating-point baseline.
Authors: Chuanqing Pu, Feilong Fan, Nengling Tai, Yan Xu, Wentao Huang, Honglin Wen
Abstract: Power-logistics scheduling in modern seaports typically follows a predict-then-optimize pipeline. To enhance the decision quality of predictions, decision-focused learning has been proposed, which aligns the training of forecasting models with downstream decision outcomes. However, this end-to-end design inherently restricts the value of forecasting models to a specific task structure and therefore generalizes poorly to evolving tasks induced by varying vessel arrivals. We address this gap with a decision-focused continual learning framework that adapts online to a stream of scheduling tasks. Specifically, we introduce Fisher-information-based regularization to enhance cross-task generalization by preserving parameters critical to prior tasks. A differentiable convex surrogate is also developed to stabilize gradient backpropagation. The proposed approach enables learning a decision-aligned forecasting model across a varying task stream with sustainable long-term computational and memory requirements. Experiments calibrated to Jurong Port show improved decision performance and cross-task generalization over existing methods, together with reduced computational cost and a bounded memory footprint.
Authors: Jo\"el Charles-Rebuff\'e, Nicolas Gast, Bruno Gaujal
Abstract: We present BLINQ, a new model-based algorithm that learns the Whittle indices of an indexable, communicating and unichain Markov Decision Process (MDP). Our approach relies on building an empirical estimate of the MDP and then computing its Whittle indices using an extended version of a state-of-the-art existing algorithm. We provide a proof of convergence to the Whittle indices we want to learn as well as a bound on the time needed to learn them with arbitrary precision. Moreover, we investigate its computational complexity. Our numerical experiments suggest that BLINQ significantly outperforms existing Q-learning approaches in terms of the number of samples needed to get an accurate approximation. In addition, it has a total computational cost even lower than Q-learning for any reasonably high number of samples. These observations persist even when the Q-learning algorithms are speeded up using neural networks to predict Q-values.
Authors: Yenho Chen, Maxwell A. Xu, James M. Rehg, Christopher J. Rozell
Abstract: The effectiveness of self-supervised learning (SSL) for physiological time series depends on the ability of a pretraining objective to preserve information about the underlying physiological state while filtering out unrelated noise. However, existing strategies are limited due to reliance on heuristic principles or poorly constrained generative tasks. To address this limitation, we propose a pretraining framework that exploits the information structure of a dynamical systems generative model across multiple time-series. This framework reveals our key insight that class identity can be efficiently captured by extracting information about the generative variables related to the system parameters shared across similar time series samples, while noise unique to individual samples should be discarded. Building on this insight, we propose PULSE, a cross-reconstruction-based pretraining objective for physiological time series datasets that explicitly extracts system information while discarding non-transferrable sample-specific ones. We establish theory that provides sufficient conditions for the system information to be recovered, and empirically validate it using a synthetic dynamical systems experiment. Furthermore, we apply our method to diverse real-world datasets, demonstrating that PULSE learns representations that can broadly distinguish semantic classes, increase label efficiency, and improve transfer learning.
Authors: Fabian Kresse, Christoph H. Lampert
Abstract: Controlling autonomous systems under real-world conditions often requires policies that can be evaluated with low latency and minimal energy consumption. Unfortunately, these conditions are at odds with the use of high-precision deep neural networks as controllers. In this work, we introduce Differentiable Weightless Controllers (DWCs), a symbolic-differentiable architecture that learns flexible, non-linear, yet highly efficient control policies. DWCs can be trained end-to-end via gradient-based techniques, yet compile directly into FPGA-compatible circuits with few- or even single-clock-cycle latency and nanojoule-level energy cost per action. Across five MuJoCo benchmarks, including high-dimensional Humanoid, DWCs achieve returns competitive with standard deep policies (full-precision or quantized neural networks). Furthermore, DWCs exhibit structurally sparse and interpretable connectivity patterns, enabling direct inspection of which input values influence control decisions.
Authors: Nico Daheim, Thomas M\"ollenhoff, Ming Liang Ang, Mohammad Emtiyaz Khan
Abstract: Stochastic Variance Reduced Gradient (SVRG) and its variants aim to speed-up training by using gradient corrections. Originally proposed over a decade ago, these methods have never been connected to any Bayesian method at a fundamental level. Here, we fill this gap and derive surprising new connections of SVRG to a recently proposed Bayesian method called `posterior correction'. Our main contribution is to show that SVRG can be recovered as a special case of posterior-correction over isotropic-Gaussian posteriors. Novel extensions of SVRG are automatically obtained by using more flexible exponential-family posteriors. We derive two new such extensions by using Gaussian families: a Newton-like variant with novel Hessian corrections, and an Adam-like extension that scales to large problems. Our work is the first to connect SVRG to Bayes and use it to speed-up training.
Authors: Matteo Peduto, Qidong Yang, Jonathan Giezendanner, Devis Tuia, Sherrie Wang
Abstract: Accurate marine wind forecasts are essential for safe navigation, ship routing, and energy operations, yet they remain challenging because observations over the ocean are sparse, heterogeneous, and temporally variable. We present an observation-informed correction approach for global numerical weather prediction (NWP) of marine winds. Rather than forecasting winds directly, we learn local correction patterns by assimilating the latest in-situ observations to adjust the Global Forecast System (GFS) output. We propose ORCA (Observation-informed Real-time Correction with Attention), a transformer-based deep learning architecture that (i) handles irregular and time-varying observation sets through masking and set-based attention mechanisms, (ii) conditions predictions on recent observation--forecast pairs via cross-attention, and (iii) employs cyclical time embeddings and coordinate-aware location representations to enable single-pass inference at arbitrary spatial coordinates. We evaluate ORCA over the Atlantic Ocean using observations from the International Comprehensive Ocean-Atmosphere Data Set (ICOADS) as reference. ORCA reduces GFS 10-meter wind error at all lead times up to 48 hours, achieving 45% improvement at 1-hour lead time and 13% improvement at 48-hour lead time. Spatial analyses reveal the most persistent improvements along coastlines and shipping routes, where observations are most abundant. The tokenized architecture naturally accommodates heterogeneous observing platforms (ships, buoys, tide gauges, and coastal stations) and produces both site-specific predictions and basin-scale gridded products in a single forward pass. These results demonstrate a practical, low-latency post-processing approach that complements NWP by learning to correct systematic forecast errors.
Authors: Waleed Razzaq, Yun-Bo Zhao
Abstract: Development of reliable and physically interpretable probabilistic frameworks for industrial prognostics remain nascent, and existing literature is often insensitive as inputs move away from the training manifold. In this paper, we develop two sampling-free, distance-aware physics-constrained probabilistic frameworks: (i) PC-SNGP and (ii) PC-SNER. Both apply spectral normalization to hidden layer weights, enforcing bi-Lipschitz distance-preserving representation from the input to the latent space. PC-SNGP replaces the dense output with Gaussian process whose posterior variance increases with input distance from the training manifold. PC-SNER modifies the output layer to predict Normal-Inverse-Gamma~(NIG) parameters for distance preserving estimation. To maintain balance between data fidelity and physical consistency during training, we introduce a dynamic weighting strategy for the physics-constrained loss. We also introduce a distance-aware-coefficient~(DAC) metric to quantify sensitivity to distributional shifts. Empirically, we validate both frameworks on rolling-element-bearings (REBs) prognostics using the PRONOSTIA, XJTU-SY, and HUST benchmark datasets. Experimental results demonstrate improved prediction accuracy and well-calibrated uncertainty estimates relative to competing baselines, while maintaining auditable performance in cross-validation and robustness under extreme adversarial perturbations.
Authors: Manos Plitsis, Giorgos Bouritsas, Vassilis Katsouros, Yannis Panagakis
Abstract: Text-to-image (TTI) diffusion models have achieved remarkable visual quality, yet they have been repeatedly shown to exhibit social biases across sensitive attributes such as gender, race and age. To mitigate these biases, existing approaches frequently depend on curated prompt datasets - either manually constructed or generated with large language models (LLMs) - as part of their training and/or evaluation procedures. Beside the curation cost, this also risks overlooking unanticipated, less obvious prompts that trigger biased generation, even in models that have undergone debiasing. In this work, we introduce Bias-Guided Prompt Search (BGPS), a framework that automatically generates prompts that aim to maximize the presence of biases in the resulting images. BGPS comprises two components: (1) an LLM instructed to produce attribute-neutral prompts and (2) attribute classifiers acting on the TTI's internal representations that steer the decoding process of the LLM toward regions of the prompt space that amplify the image attributes of interest. We conduct extensive experiments on Stable Diffusion 1.5 and a state-of-the-art debiased model and discover an array of subtle and previously undocumented biases that severely deteriorate fairness metrics. Crucially, the discovered prompts are interpretable, i.e they may be entered by a typical user, quantitatively improving the perplexity metric compared to a prominent hard prompt optimization counterpart. Our findings uncover TTI vulnerabilities, while BGPS expands the bias search space and can act as a new evaluation tool for bias mitigation.
Authors: L\'ea Bohbot, Cyril Letrouit, Gabriel Peyr\'e, Fran\c{c}ois-Xavier Vialard
Abstract: As context windows in large language models continue to expand, it is essential to characterize how attention behaves at extreme sequence lengths. We introduce token sample complexity: the rate at which attention computed on $n$ tokens converges to its infinite-token limit. We estimate finite-$n$ convergence bounds at two levels: pointwise uniform convergence of the attention map, and convergence of moments for the transformed token distribution. For compactly supported (and more generally sub-Gaussian) distributions, our first result shows that the attention map converges uniformly on a ball of radius $R$ at rate $C(R)/\sqrt{n}$, where $C(R)$ grows exponentially with $R$. For large $R$, this estimate loses practical value, and our second result addresses this issue by establishing convergence rates for the moments of the transformed distribution (the token output of the attention layer). In this case, the rate is $C'(R)/n^{\beta}$ with $\beta<\tfrac{1}{2}$, and $C'(R)$ depends polynomially on the size of the support of the distribution. The exponent $\beta$ depends on the attention geometry and the spectral properties of the token distribution. We also examine the regime in which the attention parameter tends to infinity and the softmax approaches a hardmax, and in this setting, we establish a logarithmic rate of convergence. Experiments on synthetic and real data support our predictions and show that the predicted slowdown is reflected in downstream accuracy.
Authors: Runze Li, Hanchen Wang, Wenjie Zhang, Binghao Li, Yu Zhang, Xuemin Lin, Ying Zhang
Abstract: Multivariate time series imputation is fundamental in applications such as healthcare, traffic forecasting, and biological modeling, where sensor failures and irregular sampling lead to pervasive missing values. However, existing Transformer- and diffusion-based models lack explicit inductive biases and frequency awareness, limiting their generalization under structured missing patterns and distribution shifts. We propose FADTI, a diffusion-based framework that injects frequency-informed feature modulation via a learnable Fourier Bias Projection (FBP) module and combines it with temporal modeling through self-attention and gated convolution. FBP supports multiple spectral bases, enabling adaptive encoding of both stationary and non-stationary patterns. This design injects frequency-domain inductive bias into the generative imputation process. Experiments on multiple benchmarks, including a newly introduced biological time series dataset, show that FADTI consistently outperforms state-of-the-art methods, particularly under high missing rates. Code is available at https://anonymous.4open.science/r/TimeSeriesImputation-52BF
URLs: https://anonymous.4open.science/r/TimeSeriesImputation-52BF
Authors: Wei Liu, Yaoxin Wu, Yingqian Zhang, Thomas B\"ack, Yingjie Fan
Abstract: Deep reinforcement learning (DRL) has shown great promise in addressing multi-objective combinatorial optimization problems (MOCOPs). Nevertheless, the robustness of these learning-based solvers has remained insufficiently explored, especially across diverse and complex problem distributions. In this paper, we propose a unified robustness-oriented framework for preference-conditioned DRL solvers for MOCOPs. Within this framework, we develop a preference-based adversarial attack to generate hard instances that expose solver weaknesses, and quantify the attack impact by the resulting degradation on Pareto-front quality. We further introduce a defense strategy that integrates hardness-aware preference selection into adversarial training to reduce overfitting to restricted preference regions and improve out-of-distribution performance. The experimental results on multi-objective traveling salesman problem (MOTSP), multi-objective capacitated vehicle routing problem (MOCVRP), and multi-objective knapsack problem (MOKP) verify that our attack method successfully learns hard instances for different solvers. Furthermore, our defense method significantly strengthens the robustness and generalizability of neural solvers, delivering superior performance on hard or out-of-distribution instances.
Authors: Tuc Nguyen, Thai Le
Abstract: Recent work on activation and latent steering has demonstrated that modifying internal representations can effectively guide large language models (LLMs) toward improved reasoning and efficiency without updating model parameters. However, most existing approaches rely on fixed steering policies and static intervention strengths, which limit their robustness across problem instances and often result in over- or under-steering. We propose Adaptive Test-time Latent Steering (ATLAS), a lightweight framework that dynamically controls steering decisions at inference time using a trained, lightweight verifier over the latent states. Given intermediate hidden states, the verifier predicts the quality of ongoing reasoning and adaptively selects which steering action to apply, enabling per-example and per-step adjustment with minimal overhead. ATLAS provides a unified framework for combining learned latent verification with test-time activation steering, enabling adaptive reasoning control without additional LLM decoding or inference-time process reward model calls. Experiments on multiple mathematical and coding reasoning benchmarks show that ATLAS consistently outperforms both vanilla decoding and fixed steering baselines, achieving higher accuracy while substantially reducing test-time token usage. These results demonstrate that verifier-guided latent adaptation provides an effective and scalable mechanism for controlling reasoning efficiency without sacrificing solution quality. All source code will be publicly available.
Authors: Yinghao Tang, Xueding Liu, Boyuan Zhang, Tingfeng Lan, Yupeng Xie, Jiale Lao, Yiyao Wang, Haoxuan Li, Tingting Gao, Bo Pan, Luoxuan Weng, Xiuqi Huang, Minfeng Zhu, Yingchaojie Feng, Yuyu Luo, Wei Chen
Abstract: Infographics are composite visual artifacts that combine data visualizations with textual and illustrative elements to communicate information. While recent text-to-image (T2I) models can generate aesthetically appealing images, their reliability in generating infographics remains unclear. Generated infographics may appear correct at first glance but contain easily overlooked issues, such as distorted data encoding or incorrect textual content. We present IGENBENCH, the first benchmark for evaluating the reliability of text-to-infographic generation, comprising 600 curated test cases spanning 30 infographic types. We design an automated evaluation framework that decomposes reliability verification into atomic yes/no questions based on a taxonomy of 10 question types. We employ multimodal large language models (MLLMs) to verify each question, yielding question-level accuracy (Q-ACC) and infographic-level accuracy (I-ACC). We comprehensively evaluate 10 state-of-the-art T2I models on IGENBENCH. Our systematic analysis reveals key insights for future model development: (i) a three-tier performance hierarchy with the top model achieving Q-ACC of 0.90 but I-ACC of only 0.49; (ii) data-related dimensions emerging as universal bottlenecks (e.g., Data Completeness: 0.21); and (iii) the challenge of achieving end-to-end correctness across all models. We release IGENBENCH at https://igen-bench.vercel.app/.
Authors: Joe Dwyer
Abstract: Research in machine learning has questioned whether increases in training token counts reliably produce proportional performance gains in large language models. Building on prior work introducing an energy-aware parameter efficiency metric, this study empirically examines the effects of increasing training token counts under fixed hardware and training conditions. The significance of this work lies in the explicit integration of power consumption and execution duration, as reflected by the power sampling frequency, into token-scale analysis. This addresses a gap in prior studies emphasizing performance outcomes while underrepresenting computational and energy costs. Using a repeated-measures experimental design on a constant GPU instance with an identical model architecture, optimizer settings, and epoch counts, a 1.1-billion-parameter TinyLlama model was trained at three token counts (500K, 1M, and 2M). While conventional performance metrics exhibited inconsistent or diminishing returns across token scales, the inclusion of power consumption and execution duration revealed a strictly monotonic decline in training efficiency as token count increased. Repeated-measures ANOVA demonstrated a strong effect of token count on parameter efficiency, with all pairwise comparisons remaining significant following Bonferroni correction. These findings indicate that increases in training token counts may be energetically inefficient even when marginal performance improvements are observed, underscoring the importance of efficiency-aware evaluation in large language model training.
Authors: Kangda Wei, Ruihong Huang
Abstract: Group Relative Policy Optimization (GRPO) has become a standard approach for training mathematical reasoning models; however, its reliance on multiple completions per prompt makes training computationally expensive. Although recent work has reduced the number of training steps required to reach peak performance, the overall wall-clock training time often remains unchanged or even increases due to higher per-step cost. We propose MMR-GRPO, which integrates Maximal Marginal Relevance to reweigh rewards based on completion diversity. Our key insight is that semantically redundant completions contribute limited marginal learning signal; prioritizing diverse solutions yields more informative updates and accelerates convergence. Extensive evaluations across three model sizes (1.5B, 7B, 8B), three GRPO variants, and five mathematical reasoning benchmarks show that MMR-GRPO achieves comparable peak performance while requiring on average 47.9% fewer training steps and 70.2% less wall-clock time. These gains are consistent across models, methods, and benchmarks. Our code is released at: https://github.com/WeiKangda/MMR-GRPO.
Authors: Mianzhi Pan, JianFei Li, Peishuo Liu, Botian Wang, Yawen Ouyang, Yiming Rong, Hao Zhou, Jianbing Zhang
Abstract: Metal-organic frameworks (MOFs) are porous crystalline materials with broad applications such as carbon capture and drug delivery, yet accurately predicting their 3D structures remains a significant challenge. While Large Language Models (LLMs) have shown promise in generating crystal structures, their application to MOFs is hindered by MOFs' high structural complexity arising from the large number of atoms in unit cell. Inspired by the success of block-wise paradigms in deep generative models for MOFs, we pioneer the application of LLMs in this domain by introducing MOF-LLM, the first LLM framework specifically adapted for block-level MOF structure prediction. To effectively harness LLMs for this 3D modular assembly task, our training paradigm integrates spatial-aware continual pre-training (CPT), structural supervised fine-tuning (SFT), and matching-driven reinforcement learning (RL). By incorporating explicit spatial priors and optimizing structural stability via Soft Adaptive Policy Optimization (SAPO), our approach substantially enhances the spatial reasoning in a Qwen-3 8B model for MOF structure prediction. Comprehensive experiments demonstrate that MOF-LLM achieves state-of-the-art performance with a match rate of 35.78% while exhibiting superior sampling efficiency of 0.04 seconds per structure.
Authors: Lorian Bannis
Abstract: We introduce Lattice, a hybrid sequential prediction system that conditionally activates learned behavioral structure using binary confidence gating. The system summarizes behavior windows as behavioral archetypes and activates archetype-based scoring only when an in-support confidence signal exceeds a validation-calibrated threshold, falling back to backbone predictions when uncertain. Our primary estimand is the controlled effect of adding Lattice to a fixed backbone on identical test rows. On MovieLens (30 paired seeds, full-catalog ranking), LSTM+Lattice improves HR@10 by +31.7% (gated) versus the LSTM backbone alone (p much less than 10^-20); ungated fusion reaches +58.7% on the same protocol. We do not claim gating maximizes pooled accuracy. With backbone-native archetypes (fit in each backbone's embedding space), gated lifts of +13.3% (transformer) and +17.0% (SASRec) hold under the same evaluation design. A prior approximately 0% transformer row in version 1 reflected an invalid cross-backbone transfer, not evidence that composition cannot help stronger encoders. Amazon Electronics provides supporting cross-domain evidence (+124.0% gated, 15 seeds, high variance). Controlled shift checks (appendix) illustrate gate refusal under distribution shift. Standalone SASRec and BERT4Rec scores are contextual references, not the target estimand. We report what composition achieves and when it activates; production calibration and implementation details remain proprietary pending patent prosecution.
Authors: Yang Yu, Peiyu Zang, Chi Hsu Tsai, Haiming Wu, Yixin Shen, Jialing Zhang, Haoyu Wang, Zhiyou Xiao, Jingze Shi, Yuyu Luo, Wentao Zhang, Chunlei Men, Guang Liu, Yonghua Lin
Abstract: The performance of modern AI systems is fundamentally constrained by the quality of their underlying GPU kernels, which translate high-level algorithmic semantics into low-level hardware operations. Achieving near-optimal kernels requires expert-level understanding of hardware architectures and programming models, making kernel engineering a critical but notoriously time-consuming and non-scalable process. Recent advances in large language models and LLM-based agents have opened new possibilities for automating kernel generation and optimization. LLMs are well-suited to compress expert-level kernel knowledge that is difficult to formalize, while agentic systems further enable scalable optimization by casting kernel development as an iterative, feedback-driven loop. Rapid progress has been made in this area. However, the field remains fragmented and lacks a systematic perspective for LLM-driven kernel generation. This survey addresses this gap by providing a structured overview of existing approaches, spanning LLM-based approaches and agentic optimization workflows, and systematically organizing the datasets and benchmarks that underpin learning and evaluation in this domain. Moreover, key open challenges and future research directions are further outlined, aiming to establish a comprehensive reference for the next generation of automated kernel optimization. To keep track of this field, we maintain an open-source GitHub repository at https://github.com/flagos-ai/awesome-LLM-driven-kernel-generation.
URLs: https://github.com/flagos-ai/awesome-LLM-driven-kernel-generation.
Authors: Yibo Li, Zijie Lin, Ailin Deng, Xuan Zhang, Yufei He, Shuo Ji, Tri Cao, Bryan Hooi
Abstract: While Large Language Model (LLM) agents excel at general tasks, they inherently struggle with continual adaptation due to the frozen weights after deployment. Conventional reinforcement learning (RL) offers a solution but incurs prohibitive computational costs and the risk of catastrophic forgetting. We introduce Just-In-Time Reinforcement Learning (JitRL), a training-free framework that enables test-time policy optimization without any gradient updates. JitRL maintains a dynamic, non-parametric memory of experiences and retrieves relevant trajectories to estimate action advantages on-the-fly. These estimates are then used to directly modulate the LLM's output logits. We theoretically prove that this additive update rule is the exact closed-form solution to the KL-constrained policy optimization objective. Extensive experiments on WebArena and Jericho demonstrate that JitRL establishes a new state-of-the-art among training-free methods. Crucially, JitRL outperforms the performance of computationally expensive fine-tuning methods (e.g., WebRL) while reducing monetary costs by over 30 times, offering a scalable path for continual learning agents. The code is available at https://github.com/liushiliushi/JitRL.
Authors: Donghwan Lee, Hyukjun Yang
Abstract: Markov decision problems are most commonly solved via dynamic programming. Another approach is Bellman residual minimization, which directly minimizes the squared Bellman residual objective function. However, compared to dynamic programming, this approach has received relatively less attention, mainly because it is often less efficient in practice and can be more difficult to extend to model-free settings such as reinforcement learning. Nonetheless, Bellman residual minimization has several advantages that make it worth investigating, such as more stable convergence with function approximation for value functions. While Bellman residual methods for policy evaluation have been widely studied, methods for policy optimization (control tasks) have been scarcely explored. In this paper, we establish foundational results for the control Bellman residual minimization for policy optimization.
Authors: Maria Despoina Siampou, Shushman Choudhury, Shang-Ling Hsu, Neha Arora, Cyrus Shahabi
Abstract: Recent progress in geospatial foundation models highlights the importance of learning general-purpose representations for real-world locations, particularly points-of-interest (POIs) where human activity concentrates. Existing approaches, however, focus primarily on place identity derived from static textual metadata, or learn representations tied to trajectory context, which capture movement regularities rather than how places are actually used (i.e., POI's function). We argue that POI function is a missing but essential signal for general POI representations. We introduce Mobility-Embedded POIs (ME-POIs), a framework that augments POI embeddings derived, from language models with large-scale human mobility data to learn POI-centric, context-independent representations grounded in real-world usage. ME-POIs encodes individual visits as temporally contextualized embeddings and aligns them with learnable POI representations via contrastive learning to capture usage patterns across users and time. To address long-tail sparsity, we propose a novel mechanism that propagates temporal visit patterns from nearby, frequently visited POIs across multiple spatial scales. We evaluate ME-POIs on five newly proposed map enrichment tasks, testing its ability to capture both the identity and function of POIs. Across all tasks, augmenting text-based embeddings with ME-POIs consistently outperforms both text-only and mobility-only baselines. Notably, ME-POIs trained on mobility data alone can surpass text-only models on certain tasks, highlighting that POI function is a critical component of accurate and generalizable POI representations.
Authors: Sagi Meir, Tommer D. Keidar, Noam Levi, Shlomi Reuveni, Barak Hirshberg
Abstract: The performance of large language models (LLMs) on verifiable tasks is usually measured by pass@k, the probability of answering a question correctly at least once in k trials. At a fixed budget, a more suitable metric is coverage@cost, the average number of unique questions answered as a function of the total number of attempts. We connect the two metrics and show that the empirically-observed power-law behavior in pass@k leads to a sublinear growth of the coverage@cost (diminishing returns). To solve this problem, we propose Reset-and-Discard (ReD), a query method of LLMs that increases coverage@cost for a given budget, regardless of the pass@k form. Moreover, given a pass@k, we can quantitatively predict the savings in the total number of attempts using ReD. If pass@k is not available for the model, ReD can infer its power-law exponent. Experiments on three LLMs across coding (HumanEval), math (GSM8K), and reasoning (MMLU-Pro) benchmarks demonstrate that ReD substantially reduces the required attempts, tokens, and USD cost to reach a desired coverage, while also offering an efficient way to measure inference power-laws. ReD's advantage is maintained for imperfect verifiers and outperforms the tested allocation baselines.
Authors: Dennis Frauen, Athiya Deviyani, Mihaela van der Schaar, Stefan Feuerriegel
Abstract: Evaluating the performance of large language models (LLMs) from human preference data is crucial for obtaining LLM leaderboards. However, many existing approaches either rely on restrictive parametric assumptions or lack valid uncertainty quantification when flexible machine learning methods are used. In this paper, we propose a nonparametric statistical framework, called DMLRank, for comparing and ranking LLMs from preference data using debiased machine learning (DML). For this, we introduce generalized average ranking scores (GARS), which generalize commonly used ranking models, including the Bradley-Terry model or PageRank/ Rank centrality, with complex human responses such as ties. DMLRank comes with the following advantages: (i)~It produces statistically efficient estimates of GARS ranking scores. (ii) It naturally allows the incorporation of black-box machine learning methods for estimation. (iii) It can be combined with pre-trained LLM evaluators (e.g., using LLM-as-a-judge). (iv) It suggests optimal policies for collecting preference data under budget constraints. We demonstrate these advantages both theoretically and empirically using both synthetic and real-world preference datasets. In summary, our framework provides practitioners with powerful, state-of-the-art methods for comparing or ranking LLMs for leaderboards.
Authors: Lingkai Kong, Anagha Satish, Hezi Jiang, Akseli Kangaslahti, Andrew Ma, Wenbo Chen, Mingxiao Song, Lily Xu, Milind Tambe
Abstract: Reinforcement learning (RL) with combinatorial action spaces remains challenging because feasible action sets are exponentially large and governed by complex feasibility constraints, making direct policy parameterization impractical. Existing approaches embed task-specific value functions into constrained optimization programs or learn deterministic structured policies, sacrificing generality and policy expressiveness. We propose a solver-induced \emph{latent spherical flow policy} that brings the expressiveness of modern generative policies to combinatorial RL while guaranteeing feasibility by design. Our method, LSFlow, learns a \emph{stochastic} policy in a compact continuous latent space via spherical flow matching, and delegates feasibility to a combinatorial optimization solver that maps each latent sample to a valid structured action. To improve efficiency, we train the value network directly in the latent space, avoiding repeated solver calls during policy optimization. To address the piecewise-constant and discontinuous value landscape induced by solver-based action selection, we introduce a smoothed Bellman operator that yields stable, well-defined learning targets. Empirically, our approach outperforms state-of-the-art baselines by an average of 20.6\% across a range of challenging combinatorial RL tasks.
Authors: Youngjoon Lee, Hyukjoon Lee, Seungrok Jung, Andy Luo, Jinu Gong, Yang Cao, Joonhyuk Kang
Abstract: Federated Learning (FL) facilitates decentralized collaborative learning without transmitting raw data. However, reliance on fixed global rounds or validation data for hyperparameter tuning hinders practical deployment by incurring high computational costs and privacy risks. To address this, we propose a data-free early stopping framework that determines the optimal stopping point by monitoring the task vector's growth rate using only server-side parameters. The numerical results on skin lesion/blood cell/colon pathology classification demonstrate that our approach is comparable to the validation-based early stopping across various state-of-the-art FL methods. In particular, the proposed framework requires an average of 45/12/31 (skin lesion/blood cell/colon pathology) additional rounds to achieve over 12.3%/8.9%/3.9% higher performance than early stopping based on validation data. Moreover, the proposed framework requires only 9/8/14 additional rounds to screen bad configurations, which is less than 3% of the fixed-round budget. To the best of our knowledge, this is the first work to propose a data-free early stopping framework for FL methods. Our code is available at this open repository.
Authors: Md Musfiqur Rahman, Ziwei Jiang, Hilaf Hasson, Murat Kocaoglu
Abstract: Causal inference from observational data can provide strong evidence for finding the best action in a decision-making scenario without having to perform expensive randomized trials. The causal effect of an action is often not pointwise identifiable even with infinite data due to unobserved confounding factors. Furthermore, having only finitely many samples adds another layer of uncertainty to causal effect estimation. Several existing methods can be used to obtain upper and lower bounds to the causal effect, ranging from symbolic methods to the more recent neural network-based approaches, which implicitly incorporate both sources of uncertainty. However, these methods do not inform whether collecting more samples may or may not help identify the best action from observational data, leaving experts in the dark about their data collection strategies. We address this problem with a novel framework that can distinguish the range of causal effect values that might be eliminated by collecting more samples from the range of values that, with high probability, cannot be eliminated with more observational samples. We show that this partitioning can be obtained by solving max-min and min-max optimization problems. We leverage neural causal models to approximately recover this decomposition in practice. We demonstrate via experiments on synthetic and real-world datasets that our algorithm can determine when collecting more samples will not help determine the best action. Our framework can help practitioners decide when to resort to non-observational studies or seek to measure some of the unmeasured confounders for optimal decision-making.
Authors: Gabriel Singer, Samuel Gruffaz, Olivier Vo Van, Nicolas Vayatis, Argyris Kalogeratos
Abstract: As acquiring reliable ground-truth labels is usually costly, or infeasible, crowdsourcing and aggregation of noisy human annotations is the typical resort. Aggregating subjective labels, though, may amplify individual biases, particularly regarding sensitive features, raising fairness concerns. Nonetheless, fairness in crowdsourced aggregation remains largely unexplored, with no existing convergence guarantees and only limited post-processing approaches for enforcing $\varepsilon$-fairness under demographic parity. We address this gap by analyzing the fairness s of crowdsourced aggregation methods within the $\varepsilon$-fairness framework, for Majority Vote and Optimal Bayesian aggregation. In the small-crowd regime, we derive an upper bound on the fairness gap of Majority Vote in terms of the fairness gaps of the individual annotators. We further show that the fairness gap of the aggregated consensus converges exponentially fast to that of the ground-truth under interpretable conditions. Since ground-truth itself may still be unfair, we generalize a state-of-the-art multiclass fairness post-processing algorithm from the continuous to the discrete setting, which enforces strict demographic parity constraints to any aggregation rule. Experiments on synthetic and real datasets demonstrate the effectiveness of our approach and corroborate the theoretical insights.
Authors: Shangzhe Li, Xuchao Zhang, Chetan Bansal, Weitong Zhang
Abstract: Self-play post-training methods has emerged as an effective approach for finetuning large language models and turn the weak language model into strong language model without preference data. However, the theoretical foundations for self-play finetuning remain underexplored. In this work, we tackle this by connecting self-play finetuning with adversarial imitation learning by formulating finetuning procedure as a min-max game between the model and a regularized implicit reward player parameterized by the model itself. This perspective unifies self-play imitation and general preference alignment within a common framework. Under this formulation, we present a game-theoretic analysis showing that the self-play finetuning will converge to it's equilibrium. Guided by this theoretical formulation, we propose a new self-play imitation finetuning algorithm based on the $\chi^2$-divergence variational objective with bounded rewards and improved stability. Experiments on various of language model finetuning tasks demonstrate consistent improvements over existing self-play methods and validate our theoretical insights.
Authors: Haichuan Wang, Tao Lin, Lingkai Kong, Ce Li, Hezi Jiang, Milind Tambe
Abstract: Existing alignment methods directly use the reward model learned from user preference data to optimize an LLM policy, subject to KL regularization with respect to the base policy. This practice is suboptimal for maximizing user's utility because the KL regularization may cause the LLM to inherit the bias in the base policy that conflicts with user preferences. While amplifying rewards for preferred outputs can mitigate this bias, it also increases the risk of reward hacking. This tradeoff motivates the problem of optimally designing reward models under KL regularization. We formalize this reward model optimization problem as a Stackelberg game, and show that a simple reward shaping scheme can effectively approximate the optimal reward model. We empirically evaluate our method in inference-time alignment settings and demonstrate that it integrates seamlessly into existing alignment methods with minimal overhead. Our method consistently improves average reward and achieves win-tie rates exceeding 66% against all baselines, averaged across evaluation settings.
Authors: Chen-Hui Song, Shuoling Liu, Liyuan Chen
Abstract: While deep learning has revolutionized financial forecasting through sophisticated architectures, the design of the supervision signal itself is rarely scrutinized. We challenge the canonical assumption that training labels must strictly mirror inference targets, uncovering the Label Horizon Paradox: the optimal supervision signal often deviates from the prediction goal, shifting across intermediate horizons governed by market dynamics. We theoretically ground this phenomenon in a dynamic signal-noise trade-off, demonstrating that generalization hinges on the competition between marginal signal realization and noise accumulation. To operationalize this insight, we propose a bi-level optimization framework that autonomously identifies the optimal proxy label within a single training run. Extensive experiments on large-scale financial datasets demonstrate consistent improvements over conventional baselines, thereby opening new avenues for label-centric research in financial forecasting.
Authors: Yikuan Zhang, Ning Yang, Yuhai Tu
Abstract: Stochastic Gradient Descent (SGD) introduces anisotropic noise that is correlated with the local curvature of the loss landscape, thereby biasing optimization toward flat minima. Prior work often assumes an equivalence between the Fisher Information Matrix and the Hessian for negative log-likelihood losses, leading to the claim that the SGD noise covariance $\mathbf{C}$ is proportional to the Hessian $\mathbf{H}$. We show that this assumption holds only under restrictive conditions that are typically violated in deep neural networks. Using the recently discovered Activity--Weight Duality, we find a more general relationship agnostic to the specific loss formulation, showing that $\mathbf{C} \propto \mathbb{E}_p[\mathbf{h}_p^2]$, where $\mathbf{h}_p$ denotes the per-sample Hessian with $\mathbf{H} = \mathbb{E}_p[\mathbf{h}_p]$. As a consequence, $\mathbf{C}$ and $\mathbf{H}$ commute approximately rather than coincide exactly. We further find that, within the analyzed fully connected layers, their diagonal elements follow per-layer empirical power laws $C_{ii} \propto H_{ii}^{\gamma}$, with layer-dependent fitted exponents bounded by $1 \leq \gamma \leq 2$. Experiments across datasets, architectures, and loss functions support the resulting layerwise bounds, providing a unified characterization of the noise-curvature relationship in deep learning.
Authors: Xiandong Zou, Jianshu Li, Jing Huang, Pan Zhou
Abstract: Speculative decoding accelerates inference for (M)LLMs, yet a training-decoding discrepancy persists: while existing methods optimize single greedy trajectories, decoding involves verifying and ranking multiple sampled draft paths. We propose Variational Speculative Decoding (VSD), formulating draft training as variational inference over latent proposals (draft paths). VSD maximizes the marginal probability of target-model acceptance, yielding an ELBO that promotes high-quality latent proposals while minimizing divergence from the target distribution. To enhance quality and reduce variance, we incorporate a path-level utility and optimize via an Expectation-Maximization procedure. The E-step draws Monte Carlo samples from an oracle-filtered posterior, while the M-step maximizes weighted likelihood using Adaptive Rejection Weighting (ARW) and Confidence-Aware Regularization (CAR). Theoretical analysis confirms that VSD increases expected acceptance length and speedup. Extensive experiments across LLMs and MLLMs show that VSD achieves up to a 9.6% speedup over EAGLE-3 and 7.9% over ViSpec, significantly improving decoding efficiency.
Authors: Maximilian Mauel, Johannes R. H\"ubers, David Berghaus, Patrick Seifner, Ramses J. Sanchez
Abstract: Ordinary differential equations (ODEs) are central to scientific modelling, but inferring their vector fields from noisy trajectories remains challenging. Current approaches such as symbolic regression, Gaussian process (GP) regression, and Neural ODEs often require complex training pipelines and substantial machine learning expertise, or they depend strongly on system-specific prior knowledge. We propose FIM-ODE, a pretrained Foundation Inference Model that amortises low-dimensional ODE inference by predicting the vector field directly from noisy trajectory data in a single forward pass. We pretrain FIM-ODE on a prior distribution over ODEs with low-degree polynomial vector fields and represent the target field with neural operators. FIM-ODE achieves strong zero-shot performance, matching and often improving upon ODEFormer, a recent pretrained symbolic baseline, across a range of regimes despite using a simpler pretraining prior distribution. Pretraining also provides a strong initialisation for finetuning, enabling fast and stable adaptation that outperforms modern neural and GP baselines without requiring machine learning expertise.
Authors: Ofek Amran, Tom Gilat, Ron Levie
Abstract: Generalization and approximation capabilities of message passing graph neural networks (MPNNs) are often studied by defining a compact metric on a space of input graphs under which MPNNs are equicontinuous. Such analyses are of two varieties: 1) when the metric space includes graphs of unbounded sizes, the theory is only appropriate for dense graphs, and, 2) when studying sparse graphs, the metric space only includes graphs of uniformly bounded size. In this work, we present a unified approach, defining a compact metric on the space of graphs of all sizes, both sparse and dense, under which MPNNs are equicontinuous. This leads to more powerful universal approximation theorems and generalization bounds than previous works. The theory is based on, and extends, a recent approach to graph limit theory called graphop analysis.
Authors: Haolin Liu, Braham Snyder, Chen-Yu Wei
Abstract: We study offline reinforcement learning under $Q^\star$-approximation and partial coverage, a setting that motivates practical algorithms such as Conservative $Q$-Learning (CQL; Kumar et al., 2020) but has received limited theoretical attention. Our work is inspired by the following open question: "Are $Q^\star$-realizability and Bellman completeness sufficient for sample-efficient offline RL under partial coverage?" We answer in the negative via an information-theoretic lower bound. To identify additional structure that enables sample-efficient offline RL under partial coverage, we introduce a general decision-estimation framework, inspired by model-free decision-estimation coefficients (DEC) for online RL (Foster et al., 2023b; Liu et al., 2025b). Our framework decomposes offline RL complexity into decision complexity and value estimation error. This allows modular study of both sub-problems. Our result not only unifies existing results (Chen and Jiang, 2022; Uehara et al., 2023), but further improves and generalizes them. On the decision complexity side, our improvement includes: the first $\epsilon^{-2}$ sample complexity bound for soft $Q$-learning under partial coverage that improves Uehara et al.'s (2023) $\epsilon^{-4}$ bound, the removal of the need for additional online interaction in the value-gap setting of Chen and Jiang (2022), and new learnable settings beyond the above two cases. On the value estimation side, we provide a new characterization of the role of Bellman completeness under partial coverage, and the first characterization of offline learnability for general low-Bellman-rank MDPs (Jiang et al., 2017; Du et al., 2021; Jin et al., 2021). The latter is a canonical online RL setting that has remained unexplored in offline RL except for special cases. As a side contribution, our techniques give the first analysis of CQL in the function approximation setting.
Authors: Ihor Kendiukhov
Abstract: Neural scaling laws -- power-law relationships between loss, model size, and data -- have been extensively documented for language and vision transformers, yet their existence in single-cell genomics remains largely unexplored. We present the first systematic study of scaling behaviour for masked-reconstruction transformers trained on single-cell RNA sequencing (scRNA-seq) data. Using expression profiles from the CELLxGENE Census, we construct two experimental regimes: a data-rich regime (512 highly variable genes, 200,000 cells) and a data-limited regime (1,024 genes, 10,000 cells). Across seven model sizes spanning three orders of magnitude in parameter count (533 to 3.4 x 10^8 parameters), we fit the parametric scaling law to validation mean squared error (MSE). The data-rich regime exhibits clear power-law scaling with an irreducible loss floor of c ~ 1.44, while the data-limited regime shows negligible scaling, indicating that model capacity is not the binding constraint when data are scarce. These results establish that scaling laws analogous to those observed in natural language processing do emerge in single-cell transcriptomics when sufficient data are available, and they identify the data-to-parameter ratio as a critical determinant of scaling behaviour. A preliminary conversion of the data-rich asymptotic floor to information-theoretic units yields an estimate of approximately 2.30 bits of entropy per masked gene position. We discuss implications for the design of single-cell foundation models and outline the additional measurements needed to refine this entropy estimate.
Authors: Hanlin Zhang, Jikai Jin, Vasilis Syrgkanis, Sham Kakade
Abstract: Machine learning model performance improvements tend to arise from competition and application. For deployment, we consider prescriptive scaling laws: given a pre-training compute budget, what downstream accuracy is attainable with contemporary post-training practice, and how stable is that mapping as the field evolves? Using large-scale observational evaluations with 5k existing and 2k newly evaluated model checkpoints spanning 2022-2026 across six benchmarks, we estimate capability boundaries, high conditional quantiles of benchmark scores as a function of log pre-training FLOPs, via smoothed quantile regression with a monotone, saturating sigmoid parameterization. We validate temporal reliability by fitting on earlier model generations and evaluating on later releases: across four of six tasks, the out-of-distribution coverage error remains below 2%, while math reasoning exhibits a consistently advancing boundary over time. For instance, at a budget of 10^24 FLOPs, the estimated attainable accuracies are 0.83 on IFEval and 0.54 on MATH Lvl 5. We then extend our approach to analyze task-dependent saturation and to probe contamination-related shifts on math reasoning tasks. Finally, we introduce a balanced I-optimal sampling algorithm that recovers near-full-data frontiers using roughly 20% of the parameter-count-weighted evaluation budget, as low as 5% on some tasks, while maintaining comparable calibration. Together, our work releases Proteus-2k, the latest model performance evaluation dataset, and introduces a practical methodology for translating compute budgets into reliable performance expectations and for monitoring when capability boundaries shift across time.
Authors: Tom\'as Vergara-Browne, Darshan Patil, Ivan Titov, Siva Reddy, Tiago Pimentel, Marius Mosbach
Abstract: The superficial alignment hypothesis (SAH) posits that large language models learn most of their knowledge during pre-training, and that post-training merely surfaces this knowledge. The SAH, however, lacks a precise definition, which has led to (i) different and seemingly orthogonal arguments supporting it, and (ii) important critiques to it. We propose a new metric called task complexity: the length of the shortest program that achieves a target performance on a task. In this framework, the SAH simply claims that pre-trained models drastically reduce the complexity of achieving high performance on many tasks. Our definition unifies prior arguments supporting the SAH, interpreting them as different strategies to find such short programs. Experimentally, we estimate the task complexity of mathematical reasoning, machine translation, and instruction following; we then show that these complexities can be remarkably low when conditioned on a pre-trained model. Further, we find that pre-training enables access to strong performances on our tasks, but it can require programs of gigabytes of length to access them. Post-training, on the other hand, collapses the complexity of reaching this same performance by several orders of magnitude. Overall, our results highlight that task adaptation often requires surprisingly little information -- often just a few kilobytes.
Authors: Marzieh Amiri Shahbazi, Ali Baheri
Abstract: Conformal prediction gives finite-sample coverage guarantees for regression, but most standard constructions are designed for Euclidean output spaces. When the response lies on a Riemannian manifold, Euclidean residuals and coordinate-based regions can ignore the geometry that defines meaningful error. We propose adaptive geodesic conformal prediction, a simple framework that builds nonconformity scores from geodesic distances and normalizes them with a cross-validated estimate of local prediction difficulty. On the sphere, this produces geodesic caps whose area is independent of position, while their radii still adapt to heteroscedastic noise. In both a synthetic sphere experiment and an IGRF-14 geomagnetic field forecasting task, the adaptive method preserves valid marginal coverage, reduces variation in conditional coverage, and improves worst-case coverage relative to non-adaptive and coordinate-based baselines.
Authors: Xu Zhang, Peng Wang, Yichen Li, Wei Wang
Abstract: Time series data are prone to noise in various domains, and training samples may contain low-predictability patterns that deviate from the normal data distribution, leading to training instability or convergence to poor local minima. Therefore, mitigating the adverse effects of low-predictability samples is crucial for time series analysis tasks such as time series forecasting (TSF) and time series classification (TSC). While many deep learning models have achieved promising performance, few consider how to identify and penalize low-predictability samples to improve model performance from the training perspective. To fill this gap, we propose a general Amortized Predictability-aware Training Framework (APTF) for both TSF and TSC. APTF introduces two key designs that enable the model to focus on high-predictability samples while still learning appropriately from low-predictability ones: (i) a Hierarchical Predictability-aware Loss (HPL) that dynamically identifies low-predictability samples and progressively expands their loss penalty as training evolves, and (ii) an amortization model that mitigates predictability estimation errors caused by model bias, further enhancing HPL's effectiveness. The code is available at https://github.com/Meteor-Stars/APTF.
Authors: Dhruvesh Patel, Benjamin Rozonoyer, Gaurav Pandey, Tahira Naseem, Ram\'on Fernandez Astudillo, Andrew McCallum
Abstract: Existing insertion-based masked diffusion models that generate sequences by interleaving token insertion with unmasking use fixed schedules that are not dependent on the data. For structured sequences like graphs and molecules, learning data-dependent generation orders can improve generation quality by reducing uncertainty over the action space. We propose LoFlexMDM, an insertion-based masked diffusion model with learnable order dynamics that learns data-dependent insertion and unmasking rates. We generalize the discrete flow matching framework to work with variable-length sequences, propose a tractable schedule parameterization and a training objective for joint training of the generator and the target order dynamics. On De Novo and fragment-constrained molecule generation, LoFlexMDM improves sample quality over FlexMDM by up to 17.5% and 6.7%, respectively. These results show that learning the target generation order can improve insertion-based diffusion models without giving up tractable training. We open source the code at https://github.com/dhruvdcoder/LoFlexMDM.
Authors: Barsat Khadka, Kawsher Roxy, Md Rubel Ahmed
Abstract: Graph Neural Networks (GNNs) are increasingly explored for physical design analysis in Electronic Design Automation, particularly for modeling Clock Tree Synthesis behavior such as clock skew and buffering complexity. However, practical deployment remains limited due to the prohibitive memory and runtime cost of operating on raw gate-level netlists. Graph coarsening is commonly used to improve scalability, yet its impact on CTS-critical learning objectives is not well characterized. This paper introduces CTS-Bench, a benchmark suite for systematically evaluating the trade-offs between graph coarsening, prediction accuracy, and computational efficiency in GNN-based CTS analysis. CTS-Bench consists of 4,860 converged physical design solutions spanning five architectures and provides paired raw gate-level and clustered graph representations derived from post-placement designs. Using clock skew prediction as a representative CTS task, we demonstrate a clear accuracy-efficiency trade-off. While graph coarsening reduces GPU memory usage by up to 17.2x and accelerates training by up to 3x, it also removes structural information essential for modeling clock distribution, frequently resulting in negative $R^2$ scores under zero-shot evaluation. Our findings indicate that generic graph clustering techniques can fundamentally compromise CTS learning objectives, even when global physical metrics remain unchanged. CTS-Bench enables principled evaluation of CTS-aware graph coarsening strategies, supports benchmarking of GNN architectures and accelerators under realistic physical design constraints, and provides a foundation for developing learning-assisted CTS analysis and optimization techniques.
Authors: Zeju Qiu, Lixin Liu, Adrian Weller, Han Shi, Weiyang Liu
Abstract: Efficient and stable training of large language models (LLMs) remains a core challenge in modern machine learning systems. To address this challenge, Reparameterized Orthogonal Equivalence Training (POET), a spectrum-preserving framework that optimizes each weight matrix through orthogonal equivalence transformation, has been proposed. Although POET provides strong training stability, its original implementation incurs high memory consumption and computational overhead due to intensive matrix multiplications. To overcome these limitations, we introduce POET-X, a scalable and memory-efficient variant that performs orthogonal equivalence transformations with significantly reduced computational cost. POET-X maintains the generalization and stability benefits of POET while achieving substantial improvements in throughput and memory efficiency. In our experiments, POET-X enables the pretraining of billion-parameter LLMs on a single Nvidia H100 GPU, and in contrast, standard optimizers such as AdamW run out of memory under the same settings.
Authors: Valentin Heyraud, Zachary Weller-Davies, Jules Tilly
Abstract: We derive integral formulas that simplify the Vector Signal Tensor Product recently introduced by Xie et al., which generalizes the Gaunt tensor product to anti-symmetric couplings. In particular, we obtain explicit closed-form expressions for the anti-symmetric analogues of the Gaunt coefficients. This enables us to simulate the Clebsch-Gordan tensor product using a single Vector Signal Tensor Product, yielding up to a $9\times$ reduction in the required tensor product evaluations. Our results enable efficient and practical implementations of the Vector Signal Tensor Product, paving the way for applications of this generalization of Gaunt Tensor Products in $\mathrm{SO}(3)$-equivariant neural networks. Moreover, we discuss how the Gaunt and the Vector Signal Tensor Products allow to control the expressivity-runtime tradeoff associated with the usual Clebsch-Gordan Tensor Products. Finally, we investigate low rank decompositions of the normalizations of the considered tensor products in view of their use in equivariant neural networks.
Authors: Baoheng Zhu, Deyu Bo, Delvin Ce Zhang, Xiao Wang
Abstract: Graph generation is a fundamental task with broad applications, such as drug discovery. Recently, discrete flow matching-based graph generation, \aka, graph flow model (GFM), has emerged due to its superior performance and flexible sampling. However, effectively aligning GFMs with complex human preferences or task-specific objectives remains a significant challenge. In this paper, we propose Graph-GRPO, an online reinforcement learning (RL) framework for training GFMs under verifiable rewards. Our method makes two key contributions: (1) We derive an analytical expression for the transition probability of GFMs, replacing the Monte Carlo sampling and enabling fully differentiable rollouts for RL training; (2) We propose a refinement strategy that randomly perturbs specific nodes and edges in a graph, and regenerates them, allowing for localized exploration and self-improvement of generation quality. Extensive experiments on both synthetic and real datasets demonstrate the effectiveness of Graph-GRPO. With only 50 denoising steps, our method achieves 95.0\% and 97.5\% Valid-Unique-Novelty scores on the planar and tree datasets, respectively. Moreover, Graph-GRPO achieves state-of-the-art performance on the molecular optimization tasks, outperforming graph-based and fragment-based RL methods as well as classic genetic algorithms.
Authors: Hanbum Ko, Chanhui Lee, Ye Rin Kim, Rodrigo Hormazabal, Sehui Han, Sungbin Lim, Sungwoong Kim
Abstract: Retrosynthesis prediction aims to identify reactants that can synthesize a given product molecule. Although molecular large language models (LLMs) have recently shown promising results, most existing methods either generate reactants directly or provide only generic product-level analysis, without explicitly reasoning about bond-disconnection strategies that justify specific reactant choices. This paper proposes RetroReasoner, a retrosynthetic reasoning model that captures chemists' strategic disconnection-based thinking. RetroReasoner is trained with supervised fine-tuning and reinforcement learning. For supervised fine-tuning, SyntheticRetro generates structured disconnection rationales paired with reactant predictions. For reinforcement learning, a round-trip reward evaluates predicted reactants by passing them through a forward synthesis model and rewarding predictions that reconstruct the original product. RetroReasoner can also be applied to multi-step retrosynthetic planning by incorporating it into a parallelized Monte Carlo tree search framework, reducing search time while increasing the number and diversity of valid synthetic pathways. Experimental results show that RetroReasoner outperforms prior baselines, including not only molecular LLMs but also retrosynthesis-specific expert models, and generates a broader range of feasible reactant proposals, especially for challenging reaction instances.
Authors: Mansoor Ahmed, Nadeem Taj, Imdad Ullah Khan, Hemanth Venkateswara, Murray Patterson
Abstract: Computational antibody design has seen rapid methodological progress, with dozens of deep generative methods proposed in the past three years, yet the field lacks a standardized benchmark for fair comparison and model development. These methods are evaluated on different SAbDab snapshots, non-overlapping test sets, and incompatible metrics, and the literature fragments the design problem into numerous sub-tasks with no common definition. We introduce CHIMERA-Bench: (CDR Modeling with Epitope-guided Redesign), a unified benchmark built around a single canonical task: epitope-conditioned CDR sequence-structure co-design. CHIMERA-Bench provides three components. The first is a curated, deduplicated dataset of 2,922 antibody-antigen complexes with epitope and paratope annotations. The second is a set of three biologically motivated splits that test generalization to unseen epitopes, unseen antigen folds, and prospective temporal targets. The third is a comprehensive evaluation protocol with five metric groups, including novel epitope-specificity measures. We benchmark eleven methods spanning six generative paradigms and report results across all splits. CHIMERA-Bench is the largest dataset of its kind for the antibody design problem, allowing the community to develop and test novel methods and evaluate their generalizability.
Authors: Ruizhong Miao, Yuying Wang, Rongguang Wang, Chenyang Li, Tao Sheng, Sujith Ravi, Dan Roth
Abstract: Retrieval-augmented generation (RAG) systems that rely on semantic search often fail to retrieve the complete set of evidence for complex queries, particularly when information is distributed across multiple sources. Existing approaches either rely on iterative agentic retrieval, which can be inefficient, or maintain additional structures such as knowledge graphs, which introduce storage and maintenance overhead. In this paper, we propose GraphER, a graph-based enrichment and reranking framework that (1) leverages the organizational structure of data to capture proximity relationships beyond semantic similarity, (2) constructs a graph at query time based on these proximities, and (3) applies graph-based ranking to surface the top candidate documents. Experiments across table retrieval, multi-hop retrieval, and long-document retrieval benchmarks demonstrate consistent improvements in terms of retrieval completeness. Additionally, GraphER requires no additional graph infrastructure and integrates seamlessly with standard vector stores. The framework is retriever-agnostic, supports multiple forms of proximity, and introduces minimal query-time latency.
Authors: Jianfeng Wang, Amine M'Charrak, Luk Koska, Xiangtao Wang, Daniel Petriceanu, Ruizhi Wang, Michael Bumbar, Luca Pinchetti, Thomas Lukasiewicz
Abstract: Recent vision backbones, such as Transformer families and state-space models like Mamba, have achieved remarkable progress on image recognition. Despite their empirical success, these architectures remain far from the computational principles of the human brain, often demanding enormous amounts of training data while offering limited interpretability. We propose the Vision Hopfield Memory Network (V-HMN), a brain-inspired vision backbone that integrates hierarchical memory mechanisms across layers with iterative refinement updates. Specifically, V-HMN incorporates local Hopfield modules that provide associative memory dynamics at the image patch level, global Hopfield modules that function as episodic memory for contextual modulation, and a predictive-coding-inspired refinement rule for iterative error correction. By organizing these memory-based modules hierarchically, V-HMN captures both local and global dynamics in a unified framework. Memory retrieval exposes the relationship between inputs and stored patterns, providing a prototype-based form of interpretability through explicit memory retrieval, while the reuse of stored patterns improves data efficiency. This brain-inspired design therefore enhances data efficiency and provides a prototype-based form of interpretability compared to existing self-attention- or state-space-based approaches. We conducted extensive experiments on public image classification benchmarks. V-HMN achieves strong performance on small- and medium-scale benchmarks, and remains competitive with widely adopted backbone architectures on ImageNet despite minimal architectural tuning, while offering improved data efficiency and a prototype-based form of interpretability. These findings highlight the potential of V-HMN as a memory-centric alternative to standard vision backbones, thereby bridging brain-inspired computation with modern machine learning.
Authors: Jiahao Wu, Ning Lu, Shengcai Liu, Kun Wang, Yanting Yang, Bailong Lin, Chen Jason Zhang, Li Qing, Ke Tang
Abstract: Reinforcement learning (RL) has become essential for post-training large language models (LLMs) in reasoning tasks. While scaling rollouts can stabilize training and enhance performance, the computational overhead is a critical issue. In algorithms like GRPO, multiple rollouts per prompt incur prohibitive costs, as a large portion of prompts provide negligible gradients and are thus of low utility. To address this problem, we investigate how to select high-utility prompts before the rollout phase. Our experimental analysis reveals that sample utility is non-uniform and evolving: the strongest learning signals concentrate at the ``learning edge", the intersection of intermediate difficulty and high uncertainty, which shifts as training proceeds. Motivated by this, we propose HIVE (History-Informed and online-VErified prompt selection), a dual-stage framework for data-efficient RL. HIVE utilizes historical reward trajectories for coarse selection and employs prompt entropy as a real-time proxy to prune instances with stale utility. By evaluating HIVE across multiple math reasoning benchmarks and models, we show that HIVE yields significant rollout efficiency without compromising performance.
Authors: Zhangyong Liang, Huanhuan Gao
Abstract: Enforcing prescribed global integral constraints in mesh-free neural PDE solvers is challenging in high-dimensional domains. Existing projection methods for spatial integrals are often tied to fixed grids or uniform quadrature, which can conflict with randomly sampled physics-informed neural networks (PINNs) and scale poorly with dimension. High-order differential operators also increase reverse-mode automatic differentiation memory costs. We propose Stochastic Dimension Implicit Functional Projection (SDIFP), a quadrature-level framework for enforcing prescribed first and second spatial moments. SDIFP replaces tensor-product nodal projection by a global affine correction of the neural-network output, with two scalar coefficients determined from a weighted quadrature rule. Under positive target variance and nonzero empirical raw variance, this correction is the nearest-point projection, in the weighted quadrature norm, onto the empirical two-moment constraint set. Thus, the prescribed moments are exact for the selected quadrature rule, while continuum errors are quadrature errors of the corrected field. For decomposable high-dimensional linear operators, SDIFP combines affine moment correction with stochastic operator-subset sampling. With independent residual and derivative sampling and conditionally unbiased coefficient-gradient estimation, the resulting estimator is unbiased for the specified quadrature-based residual objective; the shared-subset fast mode is biased in general. SDIFP avoids tensor-product quadrature for moment enforcement, separates forward quadrature evaluation from the reverse-mode graph, and retains pointwise inference efficiency once the affine coefficients are fixed or precomputed.
Authors: Fr\'ed\'eric Zheng, Alexandre Prouti\`ere
Abstract: Parameter-efficient fine-tuning methods such as LoRA enable efficient adaptation of large pretrained models, but often lag behind full fine-tuning in both convergence speed and final performance. Recent approaches aim to reduce this gap by aligning LoRA parameter updates with those of full fine-tuning, but such parameter-space alignment only indirectly controls model predictions. Instead, we adopt a function-space perspective and formulate the \emph{prediction alignment problem}, whose objective is to match the outputs of LoRA fine-tuning to those of full fine-tuning. We show that this objective naturally leads to a curvature-aware, second-order formulation, where optimal low-rank updates correspond to a Newton-like, curvature-whitened gradient. Based on this insight, we propose Curvature-Guided LoRA (CG-LoRA), an algorithm that selects adaptation directions using local curvature information. Our method is computationally efficient and avoids explicit second-order matrix construction. Experiments on standard natural language understanding benchmarks demonstrate improved performance and faster convergence compared to existing LoRA variants.
Authors: Zhenyu Wang, Peiyuan Li, Yongxiang Shi, Ruoyu Wu, Chenfei Liao, Lei Zhang
Abstract: Full-waveform inversion (FWI) is pivotal for reconstructing high-resolution subsurface velocity models but remains computationally intensive and ill-posed. While deep learning approaches promise efficiency, existing Convolutional Neural Networks (CNNs) and single-paradigm Neural Operators (NOs) struggle with one fundamental issue: frequency entanglement of multi-scale geological features. To address this challenge, we propose Spectral-Preserving Adaptive MoE (SPAMoE), a novel spectrum-aware framework for solving inverse problems with complex multi-scale structures. Our approach introduces a Spectral-Preserving DINO Encoder that enforces a lower bound on the high-to-low frequency energy ratio of the encoded representation, mitigating high-frequency collapse and stabilizing subsequent frequency-domain modeling. Furthermore, we design a novel Spectral Decomposition and Routing mechanism that dynamically assigns frequency bands to a Mixture-of-Experts (MoE) ensemble comprising FNO, MNO, and LNO. On the ten OpenFWI sub-datasets, experiments show that SPAMoE reduces the average MAE by 44.4% relative to the best officially reported OpenFWI baseline, thereby establishing a new architectural framework for learning-based full-waveform inversion. Our code and data are available at https://github.com/zhenyuwang12366/SPAMoE
Authors: Jasper Zhang, Bryan Cheng
Abstract: Multi-task learning shows strikingly inconsistent results -- sometimes joint training helps substantially, sometimes it actively harms performance -- yet the field lacks a principled framework for predicting these outcomes. We identify a fundamental but unstated assumption underlying gradient-based task analysis: tasks must share training instances for gradient conflicts to reveal genuine relationships. When tasks are measured on the same inputs, gradient alignment reflects shared mechanistic structure; when measured on disjoint inputs, any apparent signal conflates task relationships with distributional shift. We discover this sample overlap requirement exhibits a sharp phase transition: below 30% overlap, gradient-task correlations are statistically indistinguishable from noise; above 40%, they reliably recover known biological structure. Comprehensive validation across multiple datasets achieves strong correlations and recovers biological pathway organization. Standard benchmarks systematically violate this requirement -- MoleculeNet operates at <5% overlap, TDC at 8-14% -- far below the threshold where gradient analysis becomes meaningful. This provides the first principled explanation for seven years of inconsistent MTL results.
Authors: Ziyue Liu, Ruijie Zhang, Zhengyang Wang, Yequan Zhao, Yupeng Su, Zi Yang, Zheng Zhang
Abstract: Muon has emerged as a promising optimizer for large-scale foundation model pre-training by exploiting the matrix structure of neural network updates through iterative orthogonalization. However, the orthogonalization quality of Muon hinges on the number of Newton--Schulz (NS) iterations performed, which poses efficiency challenges due to its non-trivial computation and communication cost. We propose Muon$^2$, an extension of Muon, to improve both quality and efficiency by applying Adam-style adaptive second-moment preconditioning before orthogonalization. Our key insight is that the core challenge of polar approximation in Muon lies in the ill-conditioned momentum matrix, of which the spectrum is substantially improved by Muon$^2$, leading to faster convergence toward a practically sufficient orthogonalization. We further characterize the practical orthogonalization quality via directional alignment, under which Muon$^2$ demonstrates dramatic improvement over Muon at each polar step. Across GPT, LLaMA, and Mixture-of-Experts pre-training experiments up to 13B parameters, Muon$^2$ (and its memory-efficient variant Muon$^2$-F that preserves most of its benefits) consistently outperforms Muon and its variants while reducing NS iterations by 40%, and saves up to 1/4 training time over Muon when achieving the same loss.
Authors: Jiayi Li, Shijie Tang, G\"un Kaynar, Shiyi Du, Carl Kingsford
Abstract: Pretrained text encoders are prone to shortcut learning, relying on token-label correlations that fail once the distribution shifts in deployment. Existing shortcut mitigation methods mainly operate at training time and assume access to training data, training dynamics, or shortcut annotations, which are hardly available during deployment, where only the converged model remains. We show that this model alone suffices to mitigate shortcuts during deployment: a biased model internalizes a signal of its learned shortcuts that can be captured via unsupervised gradient-based attribution. We further prove that deployment-time mitigation is information-theoretically upper-bounded by training-time mitigation. Nevertheless, exploiting this gradient signal, our proposed unsupervised deployment-time shortcut mitigation framework for pretrained text encoders, Shortcut Guardrail, recovers substantial performance under shortcut distribution shift, matching or outperforming training-time baselines across sentiment classification, toxicity detection, and natural language inference.
Authors: Yang Liu, Dongxin Guo, Tom Zheng, Siu Ming Yiu, Liam Ning, Jikun Wu
Abstract: Global self-attention drives modern graph transformers, yet the softmax at its core imposes a structural constraint rarely examined directly: every attention row is non-negative and sums to one, so each per-head output is a mass-conserving convex combination of value vectors. A node can never "attend to nothing." We argue this conservation constraint is a single root cause behind three pathologies usually studied in isolation: the collapse of node representations with depth (over-smoothing), a low-rank bottleneck on per-head outputs, and brittle optimization in deep stacks. Drawing on how sigmoid gating removes analogous attention sinks in language models, we introduce SigGate-GT, a graph transformer that applies a learned, per-head, input-conditioned sigmoid gate to the attention output inside the GraphGPS framework. The gate is a smooth, per-dimension "volume control" that can drive head outputs toward zero, relaxing the constraint without abandoning attention's probabilistic interpretation. Analytically and through synthetic experiments, we show the gate strictly increases the stable rank of per-head outputs, and connect this rank gain to all three manifestations. On five molecular and long-range benchmarks, SigGate-GT matches the prior best on ZINC (0.059 MAE), records the strongest result among the graph-transformer baselines we evaluate on ogbg-molhiv (82.47% ROC-AUC), and is competitive on ogbg-molpcba and the Long-Range Graph Benchmark, with statistically significant gains over GraphGPS on all five datasets (p < 0.05). Mechanism analyses confirm the diagnosis: gating slows over-smoothing (a 30% mean relative gain in representation diversity across 4-16 layers), keeps attention entropy from collapsing, and stabilizes training across a 10x learning-rate range, at about 1% parameter overhead on OGB and under 3% wall-clock cost.
Authors: Weimin Huang, Natalie M. Isenberg, J\'an Drgo\v{n}a, Draguna L Vrabie, Bistra Dilkina
Abstract: Mixed Binary Quadratic Programs (MBQPs) are an important and complex set of problems in combinatorial optimization. As solving large-scale combinatorial optimization problems is challenging, primal heuristics have been developed to quickly identify high-quality solutions within a short amount of time. Recently, a growing body of research has also used machine learning to accelerate solution methods for challenging combinatorial optimization problems. Despite the increasing popularity of these ML-guided methods, a large body of work has focused on Mixed-Integer Linear Programs (MILPs). MBQPs are challenging to solve due to the combinatorial complexity coupled with nonlinearities. This work proposes ML-guided primal heuristics for Mixed Binary Quadratic Programs (MBQPs) by adapting and extending existing work on ML-guided MILP solution prediction to MBQPs. We introduce a new neural network architecture for MBQP solution prediction and a new training data collection procedure. Moreover, we extend existing loss functions in solution prediction and propose to combine contrastive and weighted cross-entropy losses. We evaluate the methods on standard and real-world MBQP benchmarks and show that the developed ML-guided methods significantly outperform existing primal heuristics and state-of-the-art solvers. Furthermore, models trained with our proposed extension with combined losses outperform other ML-based methods adapted from MILPs and improve generalization in cross-regional inference on a real-world wind farm layout optimization problem.
Authors: Shiyun Wa, Yifei Wang, Simone Sciabola, Ye Wang
Abstract: Molecular similarity plays a central role in ligand-based drug discovery, such as virtual screening, analog searching, and goal-directed molecular generation. However, traditional similarity measures, ranging from fingerprint-based Tanimoto coefficients to 3D shape overlays, are often computationally expensive at scale or rely on hand-crafted molecular descriptors. Meanwhile, many deep learning approaches to similarity-aware design still depend on similarity-specific supervision or costly data curation, limiting their generality across targets. In this work, we propose pretrained embedding distance (PED) as an effective alternative, computed directly from pretrained molecular models without task-specific training. Experimental results show that PED exhibits distinct correlations with traditional similarity metrics, and performs effectively in both ranking molecules for virtual screening and guiding molecular generation via reward design. These findings suggest that pretrained molecular embeddings capture rich structural information and can serve as a promising and scalable similarity measurement for modern AI-aided drug discovery.
Authors: Jinjiang Guo, Sheng Ding
Abstract: The rapid growth of molecular foundation models and large language models (LLMs) has encouraged a scale centred view of AI in drug discovery, in which larger pretrained models are expected to supersede compact cheminformatics models. We test this assumption across 26 ADME, toxicity and bioactivity endpoints, covering 165,541 endpoint level compound label records. The benchmark contains 78 endpoint and split entries evaluated under random, Murcko scaffold and structure separated 5-fold cross validation protocols, representing increasing chemical generalization difficulty. Across 156 task and metric comparisons, classical machine learning (ML) provides the largest share of best performing entries (47.4%), followed by pretrained molecular sequence models (28.8%), graph neural networks (21.8%) and LLM based SAR baselines (1.9%). Classical ML dominates random split interpolation and remains the largest winner family overall. GNN and sequence models are competitive in selected harder splits, but their strict winner shares decrease under a fixed final-window readout, indicating sensitivity to training settings and model selection. Paired bootstrap analyses show that small numerical differences between individual models should not be read as decisive victories. SAR knowledge from training folds improves 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, and predictive performance depends on the fit among model, task and validation scenario, not on scale alone.
Authors: Michael Cardei, Huu Binh Ta, Ferdinando Fioretto
Abstract: Masked diffusion models (MDMs) generate discrete sequences by iterative denoising under an absorbing masking process. In standard masked diffusion, if a token remains masked after a reverse update, the model discards its clean-state prediction for that position. Thus, still-masked positions must be repeatedly inferred from the mask token alone. This design choice limits cross-step refinement. To address this limitation, this paper proposes a simple, yet effective, post-training adaptation for MDMs that conditions each denoising step on the model's own previous clean-state predictions. The resulting method, called Self-Conditioned Masked Diffusion Models (SCMDM), requires minimal architectural change, does not introduce a recurrent latent-state pathway, does not rely on an auxiliary reference model, and adds no extra denoiser evaluations during sampling. This is an important departure from partial self-conditioning approaches which requires expensive model training from scratch. In particular, the paper shows that partial self-conditioning, including the commonly used 50% dropout strategy for training self-conditioned models from scratch, is suboptimal in the post-training regime. Instead, once the model's self-generated clean-state estimates become informative, the specialization to refinement is preferable to mixing conditional and unconditional objectives. SCMDM is evaluated across multiple domains, demonstrating consistent improvement over vanilla MDM baselines, achieving nearly a 50% reduction in generative perplexity on OWT-trained models (42.89 to 23.72), alongside strong improvements in discretized image synthesis quality, small molecular generation, and enhanced fidelity in genomic distribution modeling.
Authors: Jonas Teufel, Luca Torresi, Andr\'e Eberhard, Pascal Friederich
Abstract: Computational molecular representations underpin virtual screening, property prediction, and materials discovery. Conventional fingerprints are efficient and deterministic but lose structural information through hash-based compression, particularly at low dimensionalities. Learned representations from graph neural networks recover this expressiveness but require task-specific training and substantial computational resources. Here we introduce hyperdimensional fingerprints (HDF), which replace the learned transformations of message-passing neural networks with algebraic operations on high-dimensional vectors, producing deterministic molecular representations without any training. Across diverse property prediction benchmarks, HDF outperforms conventional fingerprints in the majority of tasks while exhibiting greater consistency across datasets and models. Crucially, HDF embeddings preserve molecular similarity faithfully: at 32 dimensions, distances in HDF space achieve a 0.9 Pearson correlation with graph edit distance, compared to 0.55 for Morgan fingerprints at equivalent size. This structural fidelity persists at low dimensions where hash-based methods degrade, allowing simple nearest-neighbor regression to remain predictive with as few as 64 components. We further demonstrate the practical impact in Bayesian molecular optimization, where HDF-based surrogate models achieve substantially improved sample efficiency in regimes where Morgan fingerprints perform comparably to random search. HDF thus provides a general-purpose, training-free alternative to conventional molecular fingerprints, suggesting that the information loss long accepted as inherent to fixed-length fingerprints is a limitation of the hash-based encoding scheme rather than the fingerprint paradigm itself.
Authors: Xinran Liu, Yuwen Li, Hongxiang Gao, Heyang Xu, Jianqing Li, Zongmin Wang, Chengyu Liu
Abstract: Automated pediatric electrocardiogram (ECG) interpretation remains challenging because developmental differences in heart rate, intervals, and waveforms limit the transferability of models trained mainly on adult data, while expert-labeled pediatric ECG cohorts are scarce. We propose PEACE (Pediatric-Adult ECG Alignment via Cross-modal Enhancement), an adult-to-pediatric ECG transfer framework pretrained on MIMIC-IV ECGs and adapted to pediatric targets. PEACE integrates label-specific bidirectional contrastive learning (LSBC) to align ECG representations with diagnostic semantics and curriculum adaptive fusion (CAF) to stabilize optimization under limited pediatric supervision. Label-conditioned short text descriptors provide auxiliary semantic supervision during training, whereas inference requires ECG signals only. On ZZU-pECG, PEACE achieves macro-average AUCs of 59.39%, 81.74%, and 91.56% under zero-shot, 50-shot, and full fine-tuning settings, respectively, outperforming ECG-only, multimodal, and generic domain adaptation baselines including DANN and MMD. On PTB-XL, it reaches 96.90% macro-average AUC after full fine-tuning over nine harmonized labels with nonzero mapped incidence. Gradient-based attention maps show increased saliency around QRS voltage and morphology regions for chamber-related RVH and around QRS-to-T/repolarization intervals for LQTS, broadly consistent with ECG regions commonly inspected during routine interpretation. These results suggest that adult-scale ECG pretraining coupled with rhythm, morphology, and ST-T repolarization semantic descriptors improves transferable pediatric diagnosis under label scarcity while preserving clinically interpretable waveform focus.
Authors: Rameen Mahmood, Omar El Shahawy, Souptik Barua, Zachary Beattie, Jeffrey Kaye, Xuhai "Orson'' Xu, Chao-Yi Wu, Danny Yuxing Huang
Abstract: Human behavior is challenging to measure continuously at scale, yet traces of daily routines and well-being may be reflected in interactions with personal devices. We investigate whether encrypted smartphone network traffic can serve as a passive sensing signal for behavioral states related to sleep disturbance, stress, and loneliness. To capture both population-level patterns and individual-specific behavior, we employ a transformer-based model with user-specific adapters that learns representations of network activity while accounting for personal baselines and deviations from them. To improve interpretability, we further analyze these representations using sparse representation learning to identify latent behavioral features associated with distinct activity patterns. We relate the resulting features to sleep disturbance, stress, and loneliness using generalized estimating equations with Mundlak decomposition, enabling separation of stable between-person differences from within-person changes over time. Our analysis reveals that the three outcomes are characterized by different temporal dynamics: stress is predominantly associated with persistent between-person variation, loneliness is more strongly linked to within-person fluctuations, and sleep disturbance reflects a combination of both. Importantly, these within-person behavioral signals are not recovered by conventional handcrafted network-traffic features, highlighting the advantages of learned representations for longitudinal behavioral modeling. Overall, our findings demonstrate that encrypted network traffic contains interpretable behavioral information and can support passive, scalable monitoring of behavioral dynamics, particularly changes relative to an individual's typical pattern of activity.
Authors: Mohit Kumar, Somayeh Kargaran, Bernhard A. Moser, Manuela Gei{\ss}
Abstract: Transformer-based semantic encoders are effective for retrieval, but in many deployments the recurring bottleneck is online query encoding rather than offline corpus indexing. This paper studies whether, once a strong teacher representation space and corpus index are fixed, repeated neural query encoding can be replaced by a substantially lighter and analytically explicit estimator. We formulate fixed-teacher lexical-to-semantic encoding as a conditional-mean estimation problem in which the target semantic vector is represented as a noisy mixture of semantic prototypes weighted by posterior cluster probabilities. Kernel Affine Hull Machine (KAHM) geometry is used to estimate these posterior weights from inexpensive lexical features in an explicitly identified RKHS hypothesis space, and the semantic prototypes are refined by normalized least-mean-squares updates from noisy teacher embeddings. This yields a backpropagation-free query-side encoder together with an end-to-end error decomposition into posterior-approximation, finite-sample/generalization, and teacher-noise terms. We instantiate the approach on a controlled Austrian-law retrieval benchmark with 5,000 test queries, 84 candidate laws, and 10,762 aligned retrieval units, using law-specific encoders into a frozen Mixedbread embedding space. Among evaluation-matched learned adapters, KAHM achieves the strongest teacher-space reconstruction and the best rank-sensitive retrieval performance at all evaluated cutoffs. At k=20, it obtains MRR@20 = 0.504, Hit@20 = 0.694, and Top-1 Accuracy = 0.411, while reducing online per-query time by 8.53 relative to direct transformer query encoding in the reported CPU setting. The results support KAHMs as compute-efficient encoders for supervised fixed-representation deployment regimes.
Authors: Francesco Sovrano, Gabriele Dominici, Marc Langheinrich
Abstract: A central goal of explainable AI is to express large language model (LLM) decision logic symbolically and ground it in internal mechanisms. Existing rule-extraction methods usually learn ungrounded symbolic surrogates, while mechanistic interpretability links behavior to neurons but often requires hand-crafted hypotheses and costly interventions. We introduce MechaRule, a pipeline that grounds rule extraction in LLM circuits by localizing sparse agonist activations whose ablation disrupts rule-related behavior. MechaRule rests on two findings. First, in a fixed baseline/flip regime, sparse agonist effects can exhibit overtopping: a few high-effect activations remain detectable within larger groups, dominate weaker ones, and flip many of the same examples. In such regimes, adaptive group testing with confidence-guided conservative pruning requires O(k log(N/k) + k) interventions over N candidates when k << N are agonists. Second, agonists are localized more reliably on data splits aligned with close-to-faithful rule behavior; spectral splits provide a rule-free fallback, whereas unfaithful splits degrade localization. Empirically, on arithmetic and jailbreaking, MechaRule recalls 97.0% of highest-effect agonists in matched brute-force validations at only 2.14% of exhaustive-ablation cost on average. Ablating the localized agonists eliminates 97.6--100.0% of eligible correct arithmetic answers and jailbreaks, and can correct arithmetic errors or induce jailbreaks by up to 72.8% and 32.5%.
Authors: Prakhar Gupta, Garv Shah, Donghua Zhang
Abstract: Safety fine-tuning of language models typically requires a curated adversarial dataset. We take a different approach: score each candidate prompt's difficulty by how often the target model's own rollouts are judged harmful, then fine-tune on the hardest prompts paired with the model's own non-jailbroken rollouts. On Llama-3-8B-Instruct and Llama-3.2-3B-Instruct, this approach cuts the WildJailbreak attack success rate from 11.5% and 20.1% down to 1-3%, but pushes refusal on jailbreak-shaped benign prompts from 14-22% to 74-94%. Interleaving the same hard prompts 1:1 with adversarially-framed benign prompts (prompts that look like jailbreaks but have benign intent) cuts that refusal back down to 30-51% on 8B and 52-72% on 3B, at a cost of 2-6 percentage points of attack success rate. Within the mixed regime, training on the hardest half of the eligible pool rather than a random half cuts the remaining ASR by 35-50% (about 3 percentage points) on both models.
Authors: Gr\'egoire Lambrecht, Mathieu Lauri\`ere
Abstract: Mean Field Games (MFGs) provide a powerful framework for modeling the collective behavior of large populations of interacting agents. In this paper, we address the problem of Imitation Learning (IL) in MFGs subject to common noise, where the population distribution evolves stochastically. This stochasticity compels agents to adopt population-aware policies to respond to aggregate shocks. We formulate two distinct learning objectives: recovering a Nash equilibrium and maximizing performance against an expert population. We investigate two imitation proxies: Behavioral Cloning (BC) and Adversarial (ADV) divergence. We then establish finite-sample error bounds showing that minimizing these proxies effectively controls both the policy's exploitability and its performance gap relative to the expert. Furthermore, we propose a numerical framework using generalized Fictitious Play and Deep Learning to compute expert population-aware policies. Through experiments on three environments we demonstrate that standard population-unaware policies fail to capture the equilibrium dynamics. Our results highlight that learning population-aware policies is crucial to avoid being misled by the randomness inherent in common noise.
Authors: Alessandro Ronca
Abstract: We introduce MinMax Recurrent Neural Cascades (MinMax RNCs), a class of recurrent neural networks built from a novel form of recurrence over the MinMax algebra. We show that MinMax RNCs enjoy key properties that are difficult to obtain simultaneously: strong formal expressivity, efficient evaluation, stable dynamics, and non-vanishing state gradients. First, their formal expressivity corresponds to the regular languages, arguably the maximal expressivity for finite-memory systems. Second, in addition to evaluation in recurrent form, they also admit parallel-scan evaluation with logarithmic depth and linear work in the input length. Third, their states and activations are uniformly bounded for all sequence lengths. Fourth, their loss gradients exist almost everywhere and are uniformly bounded for all sequence lengths. Fifth, they do not exhibit vanishing state gradients: the gradient of a state with respect to a past state can retain norm one independently of the temporal distance between the states. Empirically, we find that these theoretical properties translate into strong practical performance. MinMax RNCs solve the considered synthetic tasks perfectly, generalise to long sequences, and outperform the recurrent baselines considered in our experiments. We also train a 112M-parameter MinMax RNC for next-token prediction, obtaining competitive performance for its size and providing initial evidence that MinMax recurrence can scale to real-world sequence-modelling tasks.
Authors: Adhiraj Banerjee, Vipul Arora
Abstract: Many operations on sensory data -- comparison, memory, retrieval, and reasoning -- are naturally expressed over discrete symbolic structures. In language this interface is given by tokens; in audio, it must be learned. Existing audio tokenizers rely on quantization, clustering, or codec reconstruction, assigning tokens locally, so sequence consistency, compactness, length control, termination, and edit similarity are rarely optimized directly. We introduce PairAlign, a framework for compact audio tokenization through sequence-level self-alignment. PairAlign treats tokenization as conditional sequence generation: an encoder maps speech to a continuous condition, and an autoregressive decoder generates tokens from BOS, learning token identity, order, length, and EOS placement. Given two content-preserving views, each view's sequence is trained to be likely under the other's representation, while unrelated examples provide competing sequences. This gives a scalable surrogate for edit-distance preservation while discouraging many-to-one collapse. PairAlign starts from VQ-style tokenization and refines it with EMA-teacher targets, cross-paired teacher forcing, prefix corruption, likelihood contrast, and length control. On 3-second speech, PairAlign learns compact, non-degenerate sequences with broad vocabulary usage and strong cross-view consistency. On retrieval tests, it preserves edit-distance search while reducing archive token count by 55%. A continuous-sweep probe shows lower local overlap than a dense geometric tokenizer, but stronger length control and bounded edit trajectories under 100 ms shifts. PairAlign is a sequence-symbolic predictive learner: like JEPA-style objectives, it predicts an abstract target from another view as a learned variable-length symbolic sequence, not a continuous latent.
Authors: Xinyu Li, Ronghui Mu, Lin Li, Tianjin Huang, Gaojie Jin
Abstract: Large Language Models (LLMs) are increasingly deployed as autonomous agents that execute tool-augmented, multi-step tasks, where latency is a critical factor for real-world applications. Yet an overlooked threat is Reasoning-Level Denial-of-Service (R-DoS), in which an attacker preserves task correctness but degrades availability by inflating an agent's reasoning depth or tool-use budget. We introduce OTora, the first unified, two-stage red-teaming framework for instantiating R-DoS attacks. Stage I optimizes an adversarial trigger that induces targeted tool invocations using insertion-aware scoring and dynamic target co-evolution, supporting both black-box and white-box settings. Stage II generates agent-aware reasoning payloads via an ICL-guided genetic search that amplifies overthinking while maintaining correct task outcomes. Across WebShop, Email, and OS agents built on multiple backbone models such as LLaMA-70B and GPT-OSS-120B, OTora achieves up to 10 times increases in reasoning tokens and order-of-magnitude latency slowdowns, all while preserving near-baseline task accuracy. Finally, we discuss mitigation strategies for detecting and constraining abnormal reasoning and latency spikes. The code is available at https://github.com/llm2409/OTora.
Authors: Julien Brandoit, Arthur Fyon, Damien Ernst, Guillaume Drion
Abstract: Sequence learning is dominated by Transformers and parallelizable recurrent neural networks (RNNs) such as state-space models, yet learning long-term dependencies remains challenging, and state-of-the-art designs trade power consumption for performance. The Bistable Memory Recurrent Unit (BMRU) was introduced to enable hardware-software co-design of ultra-low power RNNs: quantized states with hysteresis provide persistent memory while mapping directly to analog primitives. However, BMRU performance lags behind parallelizable RNNs on complex sequential tasks. In this paper, we identify gradient blocking during state updates as a key limitation and propose a cumulative update formulation that restores gradient flow while preserving persistent memory, creating skip-connections through time. This leads to the Cumulative Memory Recurrent Unit (CMRU) and its relaxed variant, the $\alpha$CMRU. Experiments show that the cumulative formulation dramatically improves convergence stability and reduces initialization sensitivity. The CMRU and $\alpha$CMRU match or outperform Linear Recurrent Units (LRUs) and minimal Gated Recurrent Units (minGRUs) across diverse benchmarks at small model sizes, with particular advantages on tasks requiring discrete long-range retention, while the CMRU retains quantized states, persistent memory, and noise-resilient dynamics essential for analog implementation.
Authors: Or Ordentlich, Yury Polyanskiy
Abstract: This is the second part of the work investigating quantized matrix multiplication (MatMul). In part I we considered the case of calibration-free quantization, whereas here we discuss the setting where covariance matrix $\Sigma_X$ of the columns of the second factor is available. This setting arises in the ubiquitous task of weight-only post-training quantization of LLMs. Weight-only quantization is related to the problem of weighted mean squared error (WMSE) source coding, whose classical (reverse) waterfilling solution dictates how one should distribute rate between coordinates of the vector. We show how waterfilling can be used to improve practical LLM quantization algorithms (GPTQ), which at present allocate rate equally. A recent scheme (known as ``WaterSIC'') that only uses scalar INT quantizers is analyzed and its high-rate performance is shown to be (a) basis free (i.e., characterized by the determinant of $\Sigma_X$ and, thus, unlike existing schemes, is immune to applying random rotations); and (b) within a multiplicative factor of $\frac{2\pi e}{12}$ (or 0.25 bit/entry) of the information-theoretic distortion limit. GPTQ's performance, in turn, is affected by the choice of basis, but for a random rotation and actual $\Sigma_X$ from Llama-3-8B we find it to be within 0.1 bit (depending on the layer type) of WaterSIC, suggesting that GPTQ with random rotation is also near optimal, at least in the high-rate regime.
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: 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. Official code repository: https://github.com/daniel-eai/ghosted_layers_official_repository/.
URLs: https://github.com/daniel-eai/ghosted_layers_official_repository/.
Authors: Qingyuan Yang, Dongyue Chen, Da Teng, Junhua Xiao, Jiaji Pan, Shizhuo Deng
Abstract: Accurate and efficient long-term multivariate time series forecasting requires capturing recurring temporal structure while keeping inference cheap across many variables and horizons. Frequency-space models represent long-range and periodic variation compactly, but they typically process the real and imaginary spectral components as weakly coupled streams and treat periodic cues as ordinary input features, even when such cues are unreliable. This paper proposes FRWKV-Plus, a lightweight periodic-aware frequency-space forecasting model built on the efficient FRWKV backbone. FRWKV-Plus introduces a cross-branch spectral gate that reweights each spectral branch using a summary of its sibling branch, and a trust-gated residual correction that converts compact within-period context into a bounded, sign-flexible adjustment of these gates under a learned, data-dependent trust score. By construction, the correction is identity-preserving at initialization and strictly bounded, so periodic evidence can refine but never dominate or invert the base interaction. On seven standard benchmarks, FRWKV-Plus is consistently competitive with strong linear, frequency-domain, recurrent-style, and Transformer-based forecasters while preserving the lightweight profile of the backbone. Controlled three-seed ablations show that each component contributes, that the benefit is modest on strongly periodic data and pronounced on the harder Exchange and ILI datasets, and that the within-period context is the most influential single component. The implementation is publicly available at https://github.com/yangqingyuan-byte/FRWKV-plus.
Authors: Takayuki Kimura
Abstract: Large language models succeed by combining large-scale pretraining with meaningful discrete tokens. In molecular machine learning, SMILES is widely used as a token representation, but it is primarily a linearization format for molecular graphs rather than a semantic decomposition of chemistry. We propose VQ-Atom, a semantic tokenization framework that assigns discrete atom-level tokens based on local chemical environments via vector quantization. Unlike SMILES tokens, VQ-Atom tokens encode graph-local chemical context and are aligned with molecular structure. On protein-cold drug--target interaction prediction using the KIBA dataset, VQ-Atom substantially improves global ranking performance, achieving AUROC of 0.79 while substantially outperforming both SMILES-based and continuous molecular representations under an identical downstream architecture. Furthermore, VQ-Atom enables approximately 3 times faster downstream training than continuous atom-level representations by replacing per-atom continuous features with reusable discrete tokens. These results suggest that molecular tokenization is not merely a preprocessing step, but a central design choice. In particular, well-structured tokens can encode substantial chemical semantics, reducing the burden on downstream learning. VQ-Atom can be interpreted as defining a molecular language, where tokens correspond to chemically meaningful atomic environments, suggesting that token design may constitute an additional axis of machine learning research alongside architecture, objectives, and optimization.
Authors: Mohammad Mozaffari, Younes Hourri, Mohammad Rastegari, Mahyar Najibi
Abstract: Unstructured sparsity is now natively accelerated by recent GPU kernels and dataflow hardware, shifting the bottleneck from inference execution to the pruning algorithm. State-of-the-art methods for unstructured LLM pruning are layer-wise surrogates derived from the Optimal Brain Surgeon principle, and they sacrifice end-to-end accuracy, especially under aggressive sparsity. End-to-end alternatives such as MaskLLM and PATCH show that learnable masks can close this gap, but their categorical-over-patterns parameterization scales with the number of valid masks per row and does not port to the unstructured setting. We introduce LEAP, which replaces this intractable parameterization with a per-weight Bernoulli-via-Gumbel-sigmoid relaxation that makes end-to-end unstructured mask learning tractable. Across five LLM families from 0.5B to 8B parameters at 50% and 60% sparsity, LEAP improves six-task average zero-shot accuracy by +2.59 points on average over ADMM, the best layer-wise baseline in our sweep.
Authors: Shaddin Dughmi, Mahdi Haghifam, Yusuf Hakan Kalayci
Abstract: Many inference-time language-model pipelines combine a cheap reward signal with an expensive verifier, such as exact answer checking in mathematical reasoning or hidden-test execution in code generation. We formalize this setting using a learning-theoretic lens as generative active search: a cost-sensitive first-positive search problem in which a policy adaptively samples candidates from an unknown distribution, observes cheap scores, and pays for verifier labels until it finds a positive example. For a fixed prompt, the generator and reward model induce two unknown objects: a distribution over reward scores and a score-conditioned success function. When these quantities are known, we characterize the distribution-aware optimal policy using a dynamic programming approach. In the realistic and practical setting where both the score distribution and success function are unknown, we propose ADAP, a shellwise adaptive generate-rank-verify algorithm that progressively increases the number of sampled responses and top-ranked verifications. Under the monotonicity assumption that higher reward scores are no less likely to pass verification, we show that ADAP achieves expected cost within a constant factor of the distribution-aware optimum. We complement this result with learning-theoretic lower bounds, based on a centered star number, showing that structural assumptions on the score--label relationship are necessary. Experiments on mathematical reasoning and competitive programming validate the predicted advantage over both fixed non-adaptive policies and difficulty-adaptive baselines.
Authors: Xingtai Lv, Li Sheng, Kaiyan Zhang, Yichen You, Siyan Gao, Xueheng Luo, Yuxin Zuo, Yuchen Fan, Junlin Yang, Ganqu Cui, Bingning Wang, Fan Yang, Youbang Sun, Ning Ding, Bowen Zhou
Abstract: Mixture-of-Experts (MoE) scales language models efficiently through sparse expert activation, and its dynamic variant further reduces computation by adjusting the activated experts in an input-dependent manner. Existing dynamic MoE methods usually rely on pre-training from scratch or task-specific adaptation, leaving the practical conversion of fully trained MoE underexplored. Enabling such adaptation would directly alleviate the inference costs by allowing easy tokens to bypass unnecessary expert during serving. This paper introduces Zero-Expert Self-Distillation Adaptation (ZEDA), a low-cost framework that transforms post-trained static MoE models into efficient dynamic ones. To stabilize this architectural conversion, ZEDA injects parameter-free zero-output experts into each MoE layer and adapts the augmented model through two-stage self-distillation, utilizing the original MoE as a frozen teacher and applying a group-level balancing loss. On Qwen3-30B-A3B and GLM-4.7-Flash across 11 benchmarks spanning math, code, and instruction following, ZEDA eliminates over 50% of expert FLOPs at marginal accuracy loss. It outperforms the strongest dynamic MoE baseline by 6.1 and 4.0 points on the two models, and delivers ~1.20$\times$ end-to-end inference speedup.
Authors: Anay Chauhan, Gurucharan Marthi Krishna Kumar, Arion Das, Amit Dhanda, Vinija Jain, Aman Chadha, Amitava Das
Abstract: Long-context inference is increasingly constrained by the KV cache: resident memory grows with context length, and decoding becomes limited by repeated High Bandwidth Memory (HBM) streaming rather than arithmetic. Existing methods such as eviction, windowing, quantization, and offloading reduce footprint, but often leave the critical-path bottleneck only partially addressed, especially when compressed states must still be reconstructed into dense vectors during decoding. We present Spherical KV, a long-context inference method that treats KV allocation as a rate-distortion problem grounded in attention geometry for efficient decoding. The method is built on two ideas: (i) represent directional information cheaply in the decode hot loop, and (ii) allocate retention and precision according to estimated future utility. Its first component, Angle-Domain Attention (ADA), stores keys in a spherical parameterization consisting of a scalar radius and compact angle codes, and computes attention logits directly from these codes without reconstructing dense keys. This preserves a paged, block-local, fusion-friendly decode path and directly targets HBM traffic in realistic serving settings. Its second component, Rate-Distortion Retention (RDR), jointly chooses keep/drop decisions and precision tiers per token and head under a fixed budget, producing tier-homogeneous pages with lightweight metadata and coalesced reads. Together, ADA and RDR provide a deployment-oriented mechanism for reducing KV residency while preserving decode efficiency.
Authors: Ali Mahdavi, Azadeh Zamanifar, Amirfarhad Farhadi, Omid Kashefi
Abstract: Federated learning systems must support data deletion requests to comply with privacy regulations, yet retraining from scratch after each deletion is computationally prohibitive. We present HF-KCU, a method that removes a client's contribution by approximating the influence function through conjugate gradient iterations in Krylov subspaces, reducing complexity from O(d^3) to O(kd) where k<
Authors: Maximillian Rossi, Prajwal Raghunath, Eugene Wu
Abstract: LLM agents today communicate via text, which incurs considerable latency and information loss due to the need to autoregressively decode the sharer model's state and encode at the receiver model. Recent work such as Cache-to-Cache (C2C; Fu et al., 2026) seeks to exchange KV caches by learning adapters that translate sharer KV matrices to the receiver model. However, the adapters are large and expensive to train, and translate individual tokens, which requires the target context to be identical. This is unsuitable for agent communication, where the LLMs have differing context. We introduce Latent Cache Flow (LCF). To address efficiency, we observe that keys and values can be jointly translated and compressed, reducing the adapter to about 4% of C2C's size. To address differing context, we design the adapter to transmit a summary of new information that the target model does not have. Our early experiments show that a pruned 13 MB LCF adapter can be more accurate than C2C at 956 MB in shared-context settings; for different contexts, LCF improves F1 by 7.5% and Exact Match by 23% while 8.5 times faster than text-based communication.
Authors: Bharadwaj Veeravalli
Abstract: In this paper, we introduce the first machine learning framework for predicting optimal processing times in Single-Level Tree Network (SLTN) architectures for the Divisible Load Theory (DLT) paradigm. Using a feedforward neural network(FNN) with 16 engineered features, we train a model on 100,000 synthetically generated configurations to predict optimal processing times without explicit formulation of DLT equations. The model achieves 97-99% accuracy (R-square factor) with mean absolute percentage error of 1-5%, demonstrating that neural networks can effectively learn complex load distribution relationships. Feature importance analysis reveals that the model implicitly captures DLT mathematical structure, including load conservation and simultaneous finishing constraints. With inference times under 1 millisecond, the approach serves as a viable option over traditional DLT computation, enabling applications in real-time scheduling, design space exploration, and cloud resource allocation. The method generalizes well across diverse system configurations (n=3 to 20, load size =1 to 100 GB) with consistent accuracy, though performance degrades slightly for very large or highly heterogeneous systems. This work demonstrates the feasibility of using machine learning to accelerate distributed computing optimization while maintaining near-optimal accuracy.
Authors: Trinh Pham, Viet Huynh, Hongzhi Yin, Quoc Viet Hung Nguyen, Thanh Tam Nguyen
Abstract: The rapid advancement of machine learning has led to an unprecedented expansion of model ecosystems, making it increasingly difficult to assess the reliability of newly released models on unseen and unlabeled data. Existing evaluation pipelines typically rely on costly annotation, repeated fine-tuning, or assumptions that do not generalize well to new models. We introduce MetaEvaluator, a cost-effective, model-agnostic framework for fast, label-free evaluation of unseen models across diverse architectures and modalities. MetaEvaluator meta-learns over a pool of reference models to acquire an effective initialization for accurate assessment of unseen models, thereby amortizing evaluation cost and eliminating the need for per-model retraining. To the best of our knowledge, this is the first model-agnostic framework that evaluates new models on unlabeled datasets. Extensive experiments demonstrate that MetaEvaluator delivers stable and accurate performance estimates at substantially lower cost than conventional approaches, enabling scalable benchmarking on unlabeled datasets for emerging models. The code is available at: https://github.com/phkhanhtrinh23/MetaEvaluator.
Authors: Narmeen Oozeer, Shivam Raval, Philip Quirke, Manikandan Ravikiran, Jeff Phillips, Shriyash Upadhyay, Amirali Abdullah
Abstract: Steering a language model - intervening on its internal activations to change downstream behaviour - has recently expanded beyond linear interpolation to nonlinear methods such as angular and kernelized steering, which define intervention transformations without learning an explicit geometry over paths in activation space. Freshly introduced geometry-aware manifold methods do learn such a geometry, but require labelled class centroids together with prescribed cyclic or sequential structure. These assumptions restrict where manifold steering can be applied, since existing constructions require labelled centroids and compatible boundary conditions. We recast manifold steering more broadly as \textbf{Riemannian geodesic computation} on activation space, recovering linear and labelled-spline steering as geodesics under particular choices of metric. A principled metric within this framework is the output-space Hellinger distance pulled back to activations; we approximate this with a learned encoder trained on output distances over a small concept-token schema - no per-prompt labels, no topology prior, and no per-task curve fitting. Empirically, the method reliably drives the model onto the target class across all tasks in a standard four-task language-model arithmetic benchmark, while following more behaviourally natural trajectories than baselines on smaller output spaces. We thereby provide a unified Riemannian framework for manifold steering together with a schema-supervised, label-free instantiation that operates without labelled centroids or prescribed boundary conditions.
Authors: Zhaoyu Zhu, Rui Gao, Shuang Li
Abstract: Wasserstein policy gradient (WPG) is a policy optimization method for reinforcement learning (RL) that exploits the optimal-transport geometry of action distributions. For the entropy-regularized RL objective, WPG evolves each state-conditional policy by transporting it along the action gradient of the soft Q-function together with a Langevin-type diffusion. Despite its appeal for continuous-control problems, its global convergence properties remain poorly understood. Standard Langevin analyses do not directly apply, because the RL objective depends on the policy through the Bellman recursion rather than through a static convex functional, and the Langevin drift is determined by the soft Q-function, whose regularity must be controlled along the policy iterates. In this paper, we develop a global convergence theory for WPG by exploiting the Bellman structure of entropy-regularized RL. We show that the role usually played by convexity can be replaced by a Bellman-based argument: the soft Bellman residual admits a statewise KL representation with respect to a Gibbs policy; Bellman contraction relates this residual to the global optimality gap; and a Bellman resolvent identity connects value improvement to relative Fisher information. Combined with a uniform log-Sobolev inequality (LSI) for the evolving Gibbs family, these ingredients yield a distributional Polyak--\L{}ojasiewicz condition. We further establish the regularity and uniform bounds needed to control the discretization error, thereby obtaining geometric contraction up to a discretization bias. Conceptually, our analysis shows that although entropy-regularized RL is not convex in the usual flat sense, the Bellman recursion induces a favorable Polyak--Lojasiewicz-type (PL) geometry that supports global convergence of WPG.
Authors: Zhengyu Hu, Zheyuan Xiao, Linxin Song, Fengqing Jiang, Yuetai Li, Zhengyu Chen, Zhihan Xiong, Yue Liu, Junhao Lin, Yao Su, Lijie Hu, Kaize Ding, Teng Xiao, Radha Poovendran
Abstract: LLM training increasingly relies on teacher-generated supervision, from synthetic responses to reasoning traces and tool-use demonstrations. Current practice often chooses the highest-performing teacher to generate student training data, implicitly treating teacher test performance as a proxy for teaching quality. We show that this assumption can fail: even when multiple teachers provide correct answers to the same question, the answer from the strongest teacher is not necessarily the best supervision for a given student. To address this gap, we propose Student-Centric Answer Sampling (SCAS), a framework that selects from verified teacher-generated answers according to their estimated student-centric learning cost. Motivated by a token-wise gradient decomposition, we derive an efficient forward-only proxy for this cost and use it to guide answer selection during training. Experiments across 30 teacher models, 6 student base models, and 6 tasks show that SCAS consistently improves student performance, suggesting that effective distillation should prioritize supervision matched to the current student rather than teacher strength alone.
Authors: Vincent-Daniel Yun, Youngrae Kim, Woosang Lim, YoungJin Heo, Minkyu Kim, Sunwoo Lee
Abstract: Large language models are known to contain representational redundancy across network depth, making depth pruning an effective approach for improving inference efficiency. Existing one-shot pruning methods rely on local layer importance or fixed redundancy assumptions across architectures. We propose Locality-Aware Redundancy Pruning (LoRP), a training-free one-shot depth pruning framework guided by representation locality. We show that inter-layer redundancy can be either localized or globally distributed depending on the LLM architecture. To characterize this phenomenon, we introduce Representation Locality Score (RLS), derived from global inter-layer hidden-state similarity. Using a small calibration set, LoRP computes pairwise layer similarity, clusters layers by representational similarity, and allocates pruning according to residual intra-cluster redundancy. Experiments across diverse LLM families show improvements in both perplexity and downstream task accuracy. Official github repository: https://github.com/daniel-eai/LoRP-Locality-Aware-Redundancy-Pruning/
URLs: https://github.com/daniel-eai/LoRP-Locality-Aware-Redundancy-Pruning/
Authors: Jeanmely Rojas Nunez, Viraj Sawant, Nathan Allen, Nomgondalai Amgalanbaatar, Yannis Zongo, Vasu Sharma, Maheep Chaudhary
Abstract: Fine-tuning large language models (LLMs) frequently induces catastrophic forgetting of prior capabilities. Recent work has shown that reinforcement learning (RL) retains prior capabilities more effectively than supervised fine-tuning (SFT), attributing this to policy-gradient updates remaining closer to the base policy \cite{shenfeld2025rl}. We extend this behavioral account to the mechanistic level and ask whether RL's advantage is mirrored by stronger preservation of internal computational circuits. We introduce differential circuit vulnerability, a head-level measure of how much a circuit degrades under fine-tuning, and use it to compare RL and SFT on Qwen2.5-3B-Instruct adapted to scientific question-answering. We find a clear mechanistic trade-off: SFT adapts more rapidly to the target task but produces substantially greater circuit disruption and forgetting of prior capabilities, whereas RL preserves a larger fraction of the base circuit at the cost of slower task adaptation. These findings suggest that circuit preservation may help explain why RL is more robust to catastrophic forgetting. We released our code here: https://github.com/rl-sft-circuit-research/differential-circuit-vulnerability.
URLs: https://github.com/rl-sft-circuit-research/differential-circuit-vulnerability.
Authors: Xin Li, Chenhan Xiao, Jonathan Cohen, Aviad Elyashar, Yang Weng, Rami Puzis
Abstract: The rapid growth of AI-driven data centers and large-scale energy storage systems is increasing the reliance of power system operation on real-time measurement data and automated decision-making. However, many existing detection methods rely on statistical or data-driven analysis of measurements and can fail when attackers exploit the same data structure to craft stealthy perturbations. To illustrate this limitation, we demonstrate a blind False Data Injection Attack (FDIA) in which an Autoencoder learns the measurement manifold and generates perturbations aligned with the Jacobian null space, thereby allowing the attack to evade both residual-based baddata detectors and time-series anomaly detectors. To mitigate data-driven FDIAs which exploit the null space, we propose a topology-informed Cycle-Space Detector (CSD) that leverages the Cycle-Space of the network to impose structural constraints that enhance null space estimation. In addition, we prove that by using the Minimum Cycle Basis (MCB), the proposed CSD achieves the optimal generalization error for attack detection. By exploiting topology-derived cycle constraints rather than relying solely on numerical null space estimation, the proposed method does not require precise line parameters and improves the separation between normal and attacked measurements. Simulation results on IEEE 14-, 30-, 57-, and 118-bus systems demonstrate that the proposed method effectively detects data-driven FDIAs under realistic measurement noise.
Authors: Daniil Shlenskii, Nikita Gushchin, Lev Novitskiy, Dmitry V. Dylov, Alexander Korotin
Abstract: We introduce Midpoint Generative Models (MGM), a principled framework for training one-step generative models. MGM is based on a simple symmetry of Flow Matching with linear interpolation: when the two endpoint distributions coincide, the corresponding drift field vanishes at the midpoint time, $t=1/2$. We show that the norm of this field defines a valid discrepancy between distributions, which we call the Midpoint Divergence. We extend this discrepancy beyond the midpoint by introducing randomly flipped interpolations and further generalize it by replacing deterministic linear Flow Matching interpolations with symmetric stochastic interpolants, yielding a generalized Midpoint Divergence. Finally, we derive a variational formulation of our generalized divergence, yielding a tractable objective for training a one-step generator. The resulting MGM algorithm offers an effective and theoretically grounded approach to generative modeling, achieving competitive performance against existing one-step generative modeling methods.
Authors: Fanny Lehmann, Firat Ozdemir, Yun Cheng, Torsten Hoefler, Sebastian Schemm, Benedikt Soja, Siddhartha Mishra
Abstract: While AI weather models excel at short-to-medium range forecasts (up to 15 days), they frequently suffer from ill-defined "instabilities" when rolled out over longer horizons. This work addresses the lack of a formal taxonomy by categorizing these failures into three distinct regimes: blow-up, drift, and loss of seasonality, through year-long rollouts of nine state-of-the-art AI weather models. Our analysis reveals that stability hinges on the treatment of small spatio-temporal scales: unstable models amplify high-frequency energy, while stable models act as denoisers when noise is added to their inputs. Far from reducing these models to mere stochastic parrots, our findings highlight that stable models generate unique weather trajectories, conditioned on the initial state. We verify our findings through ablation studies on architectural design choices, conducted using state-of-the-art Vision Transformer (ViT) AI weather model architectures.
Authors: Snigdha Chandan Khilar
Abstract: Recent SVD based compression methods for large language models like SVD LLM and Basis Sharing can be unified under one optimization problem. While mathematical proofs and tests on Pythia models show this unified approach improves weight reconstruction error by up to 46% percent it fails in practical tasks. Downstream metrics like perplexity and accuracy severely degrade compared to standard per layer SVD LLM. The authors explain this failure mechanistically. Although the bundle method mathematically couples adjacent layers the transformer residual stream actually decouples them during forward passes. Thus per layer optimality matters more than joint cross layer optimization. The paper concludes that weight space reconstruction is a flawed objective for cross layer compression and future methods must focus on per layer activation reconstruction instead.
Authors: Nan Mu, Yangfan Xiao, Ling Wang, Xiaoning Li, Yue Kang, Chen Zhao
Abstract: Multi-omics data provide complementary molecular characterizations of disease phenotypes and play an important role in disease diagnosis and subtype classification in precision medicine. However, acquiring complete multi-omics profiles is expensive and time-consuming, while most existing deep learning methods assume full modality availability during inference, resulting in substantial redundancy and limited practicality in clinical settings. To address this issue, we propose SDM-Q, a reinforcement learning framework for adaptive and cost-aware multi-omics classification. Specifically, multi-omics diagnosis is reformulated as a finite-horizon sequential decision problem, where the currently acquired omics modalities define the diagnostic state at each stage. An action--value function determines whether to acquire an additional modality or terminate the decision process and output the final prediction. To balance diagnostic utility and acquisition cost, the reward is defined only at the terminal stage and jointly determined by classification correctness and cumulative modality acquisition cost. A backward stage-wise optimization strategy is introduced to improve policy consistency and training stability. Experiments on four public multi-omics datasets, including ROSMAP, LGG, BRCA, and KIPAN, demonstrate that SDM-Q effectively reduces redundant modality acquisition while maintaining competitive classification performance compared with methods using complete multi-omics inputs. In the BRCA and KIPAN datasets, more than 99\% and 95\% of subjects, respectively, achieve accurate classification using only a single omics modality, while the average number of acquired modalities remains below two for ROSMAP and LGG. These results suggest that cost-aware sequential decision-making provides an effective paradigm for improving the efficiency of precision medicine workflows.
Authors: Daniel Pe\~naherrera, Rishal Aggarwal, David Ryan Koes
Abstract: A long standing challenge in computational chemistry and biophysics is efficiently sampling the Boltzmann distribution of molecules. Advances in generative modeling have been proposed to address the limitations of conventional sampling techniques by eliminating the computational cost of simulation. A promising direction is iteratively finetuning diffusion models along a temperature ladder whereby training data is generated via importance sampling during inference-time annealing. Unfortunately, these methods require computing a divergence over the score field to estimate importance weights, rendering them intractable for larger systems. Here we present scalable inference-time annealing (SITA), which retrains flow-based models to generate samples at progressively lower temperatures using an energy-based model to facilitate fast surrogate likelihoods. We demonstrate state-of-the-art performance on both Alanine Dipeptide and Alanine Tripeptide while avoiding costly divergence terms. Our code is available at https://github.com/countrsignal/sita.git
Authors: Gongxu Luo, Boyang Sun, Kun Zhang
Abstract: Bulk gene expression profiling, which aggregates pooled RNA across cells within a biological sample, remains important in the single-cell era because it is typically less noisy, more sensitive, and more cost-effective than single-cell assays. Accordingly, a growing body of computational methods seeks to recover causal relations among genes from bulk expression data. However, aggregation is a lossy, non-invertible coarsening of the underlying cellular system, and it remains unclear whether and under what conditions causal relations are recoverable from aggregated bulk gene expression data. To answer this, we formalize recoverability under aggregation through two notions of consistency: functional-form consistency and conditional-independence consistency. We then derive necessary and sufficient conditions for recoverability, showing that these properties are preserved only under linear aggregations (e.g., sum/mean) coupled with affine structural equations. To assess the practical plausibility of these conditions, analyses of four bulk and four single-cell gene expression datasets further reveal that the estimated pairwise regulatory functions among genes deviate from linearity in both data types, providing limited empirical support for the linearity assumptions required for recoverability. Together, these results caution against recovering causal relations from aggregated bulk expression data without strong additional assumptions.
Authors: Xinpeng Lv, Chunyuan Zheng, Yunxin Mao, Renzhe Xu, Jinxuan Yang, Yuanlong Chen, Wangrong Huang, Shaowu Yang, Wenjing Yang, Xinwang Liu, Peng Cui, Haotian Wang
Abstract: Strategic classification (SC) investigates scenarios where agents manipulate their features to obtain favorable decisions from predictive models. Existing fairness-aware SC approaches primarily focus on group fairness and typically assume that agents respond independently. However, when individual fairness is required, ensuring similar individuals receive similar outcomes, agents' manipulation becomes interdependent: an agent's preferred manipulation depends on the neighborhoods' outcomes. This induces a mismatch between classical SC formulations and fairness-aware decision settings, where independent models no longer accurately characterize strategic manipulations. To address this issue, we introduce individual fairness-aware strategic classification (IFSC), a framework that models peer-driven manipulation arising from individual fairness, where agents imitate nearby positively decided peers to obtain favorable outcomes. IFSC characterizes strategic manipulation as similarity-based imitation toward visible accepted peers and learns classifiers under the resulting post-manipulation distributions. To account for uncertainty in peer observability, IFSC employs a robust learning process that introduces stochastic perturbations during manipulation simulation. Experiments on synthetic and real-world datasets demonstrate that IFSC improves individual-fairness consistency and mitigates imitation-induced distortions.
Authors: Zhicheng Zhang, Jiwei Tang, Kuicai Dong, Xiaopeng Li, Jieming Zhu, Jingyu Li, Qianhui Zhu, Fengyuan Lu, Wang Jiaheng, Gang Wang, Hai-Tao Zheng, Zhaocheng Du
Abstract: Hard negative mining has become the dominant strategy for training retrievers, yet it faces intrinsic limitations: negatives are bounded by corpus availability, selected by retriever score rather than diagnostic value, and increasingly contaminated by false positives as the retriever improves. LLM-based synthesis offers a principled alternative, where negatives that are unconstrained, targeted, and free from false positive risk. But we show that naively incorporating generated negatives into contrastive learning often degrades retrieval performance. We identify and formalize the root cause as a generative-discriminative gap: LLM generation optimizes for fluent, plausible text, while contrastive learning demands strategic violations of relevance at the decision boundary. Our analysis reveals two compounding failure modes: discriminative-agnostic generation, where the LLM lacks an explicit model of query information needs and defaults to generic or topic-drifted text that provides no contrastive signal; and source-dependent shortcuts, where distributional artifacts enable the model to distinguish negatives by origin rather than relevance, causing gradient drift that actively corrupts optimization. To close this gap, we propose CausalNeg consisting of two main modules: (1) CoT-guided counterfactual perturbation for data construction: decomposes why a document satisfies a query into explicit information requirements, then surgically violates individual requirements to construct negatives with controlled, interpretable hardness. (2) Query-view entropy maximization during training: disperses generated negatives across the similarity spectrum, minimizing the mutual information between source identity and similarity scores to suppress shortcut exploitation. We make our code publicly available at https://github.com/mzhangzhicheng/CausalNeg.
Authors: Anushka Tiwari, Kaiyi Ji
Abstract: While prompt-based parameter-efficient continual learning mitigates catastrophic forgetting by isolating task-specific prompts, this isolation also limits later tasks from improving earlier ones, leaving backward knowledge transfer underexplored. We address this limitation by proposing Selective bAckward refinement for positive Backward knowledge transfER (SABER), a replay-free framework that enables controlled backward transfer in prompt-based continual learning. SABER determines when backward refinement is beneficial using complementary task-correlation criteria based on prompt-gradient geometry and loss-distribution similarity, and how to perform refinement safely by restricting updates to non-interfering directions in the prompt parameter space. Extensive experiments across multiple continual learning benchmarks and diverse pretrained backbones, including T5-Large, LLaMA, and Qwen, demonstrate that SABER consistently achieves positive backward transfer while maintaining strong overall average performance. Code is available at https://github.com/OptMN-Lab/SABER-ICML-2026/.
Authors: Shagesh Sridharan, Yanis Bahroun, Anirvan M. Sengupta
Abstract: Sparse high-dimensional representations are conducive to uncovering nontrivial structures in unsupervised exploration of data. Such a representation can deal with the dense connectivity in graphs relevant to community detection problems. However, sparse high-dimensional representations are capable of doing more, including manifold tiling and feature learning. Conventional algorithms optimize in the space of computationally intractable completely positive matrices or relax the problem to the space of doubly nonnegative matrices that scale with sample size in a way rendering them impractical for large data sets. Some of these methods also impose a row sum constraint, such as double stochasticity. Row sum constraints have the added advantage of being shift-invariant, in the context of manifold tiling. Constraints on the row sum of output similarity matrices require nontrivial online learning rules. Addressing these needs, we propose a versatile online biologically plausible learning algorithm capable of learning sparse shift-invariant representations, useful for clustering, manifold tiling, or sparse coding, depending on the data structure.
Authors: Johanna Menn, Miriam Kober, Paul Brunzema, David Stenger, Sebastian Trimpe
Abstract: Bayesian optimization (BO) is a popular and effective approach for tuning expensive, noisy experiments, but requires the formulation of an explicit objective function. Preferential BO (PBO) removes this requirement by learning from pairwise human feedback, yet existing methods struggle to efficiently optimize beyond low- and medium-dimensional problems due to their global search approaches. We address this limitation by developing a family of local PBO methods that transfer key ideas from high-dimensional BO to the preferential setting. In particular, we introduce local PBO methods which adapt trust-region and derivative-informed local search to pairwise preference feedback, where the latter exploits first- and second-order derivatives of the Laplace-approximated GP posterior. Our benchmark on GP sample paths, standard optimization benchmark functions, and policy-search tasks shows that local PBO methods are especially effective in high-dimensional and complex landscapes with steep optima. Compared with global preference-based baselines, they can substantially reduce cumulative regret, making them particularly useful for real-world preference-based optimization tasks such as policy search.
Authors: Hu Xu, Zhaolong Xing, Congcong Liu, Jiaxing Wang, Zhida Jiang, Junshi Huang, Zhen Chen, Jianfeng Xu
Abstract: Post-training pruning compresses large language models to high sparsity using a small unlabelled calibration set, and recent work has concluded that the choice of calibration source has only modest impact on averaged post-pruning accuracy. We ask whether this conclusion survives once calibration impact is evaluated separately across distinct capability dimensions rather than aggregated. Decomposing post-pruning capability into General, Commonsense, Code, and Math, and analysing $n{=}15$ calibration sources via Spearman correlations between OIT information metrics and per-dimension retention, we uncover an opposite-sign trade-off: calibration perplexity correlates positively with General retention ($\rho{=}{+}0.71$) but negatively with Math and Code retention ($\rho{=}{-}0.53,\,{-}0.59$; $p{<}0.05$), so no single source can preserve all capabilities. We respond with multi-source calibration mixing, and propose IGSP, an information-guided self-calibration protocol that automates multi-source construction without capability-aligned corpora by minimising 4-gram aggregation and balancing perplexity across dimensions. On LLaMA-3.1-8B at SparseGPT 60% sparsity, a uniform multi-source mix reaches 58.8% total retention, outperforming the best single source (MetaMath, 50.0%) by $+8.8$ and the C4 default (40.0%) by $+18.8$; IGSP improves over Self-Cal by $+2.4$ and SGS by $+4.8$.
Authors: Parnian Behdin, Kevin Roice, Golnaz Mesbahi
Abstract: Reinforcement Learning (RL) has received increasing attention and adoption in real-world use cases. Most of these systems follow a train-then-fix paradigm, where trained agents do not learn while interacting with the world until performance degrades and retraining becomes necessary. In this position paper, we argue that deploying an agent that is incapable of optimality, but receives an evaluative reward signal, is inherently a continual RL problem. We identify four sources of non-stationarity after deployment that necessitate never-ending learning, and highlight why the best deployed agents never stop adapting. We analyze successful examples of continual RL in the real world, and present the community with the advantages and measures to move away from the current train-then-fix paradigm.
Authors: Ossi Lehtinen
Abstract: Transformers consuming multi-channel scalar signals must embed $C$ simultaneous values into one $d_{\text{model}}$-dimensional vector per time step. We audit eight input encoders -- a shared-scalar baseline, per-channel linear projections, an orthogonality regulariser, a nonlinear MLP, block-partitioned concatenation, channel-independent and channel-as-token architectures, and a projected positional encoding -- on a synthetic benchmark where channel identity is informative and on ETTh1, scored by next-step negative log-likelihood. The headline is practical near-equivalence within a wide "top tier": the standard per-channel linear projection matches every alternative up to small, statistically real but practically modest differences. A direct geometric probe attributes this to a spontaneous orthogonalisation of the per-channel projections: they end up near-orthogonal with no explicit regulariser, letting the standard linear recover channel identity from the summed embedding. Two encoders lose decisively: the shared-scalar baseline collapses for information-theoretic reasons we make explicit, and the channel-independent PatchTST-spirit baseline overfits universally on the synthetic benchmark and underperforms on both. Paired tests resolve two small gaps: projecting the sinusoidal positional encoding through a learned linear layer edges the rest at small $C$ by extending this orthogonality to the positional subspace; a nonlinear MLP stem edges them at the largest $C$, with the gap shrinking under more training data. The practical recommendation: use the standard per-channel linear projection by default; reach for something more elaborate only when the task calls for it.
Authors: Jian Xu, Yanning Wu, Delu Zeng, John Paisley, Qibin Zhao
Abstract: Generative models -- diffusion and flow matching -- are increasingly used to solve partial differential equation (PDE) inverse problems, enforcing the governing physics as a \emph{hard constraint} (via projection or guidance) and reporting the resulting samples as a Bayesian posterior with calibrated uncertainty. We show that this widely adopted recipe samples the wrong distribution. Conditioning a generative prior on a hard PDE constraint is conditioning on a measure-zero manifold -- an operation that is intrinsically ambiguous (the Borel--Kolmogorov paradox) and whose physically correct resolution, the small-residual-noise limit, carries a co-area (Fixman) Jacobian factor $[det(JJ^{\top})]^{-1/2}$ that projection- and guidance-based methods silently omit. We make the bias precise, show that it grows with the heterogeneity of the constraint sensitivity, and validate it on controlled problems against an \emph{i.i.d.} ground-truth arbiter. The omitted factor is not a second-order detail: removing it inflates the posterior error to $20\times$ the sampling-noise floor; minimal-displacement projection (as in PCFM) is biased at $9\times$ the floor; and a naive scalar reweighting does not fix it. We introduce \textbf{CoCoS}, a measure-aware constrained sampler that targets the correct co-area posterior, and show that it matches the gold-standard posterior to within sampling noise. Our results imply that ``satisfying the physics'' is not the same as ``sampling the posterior,'' and give a principled correction for uncertainty-aware scientific inference.
Authors: Ting-An Chen, Chin-Yuan Yeh, De-Nian Yang
Abstract: Quantizing deep neural networks is essential for efficient inference on resource-constrained devices. However, most existing methods are designed for single-domain and class-balanced data, leaving practical settings with domain shifts or severe class imbalance underexplored. We address these challenges with Efficient Multi-Domain Alignment Quantization (EmaQ), which aligns domain distributions through a CDF-based projection and uses sensitivity-aware weight aggregation to stabilize multi-domain quantization. We further extend EmaQ to EmaQ-LT for long-tailed quantization by introducing class-conditioned variance scaling and confidence-based logit adjustment to mitigate majority-class overconfidence. Theoretical analyses establish convergence guarantees and motivate the proposed sensitivity and scaling mechanisms. Experiments on standard, multi-domain (Office-31, Digits), and long-tailed (SynDigits-LT, CIFAR-10-LT, CIFAR-100-LT) benchmarks show that EmaQ and EmaQ-LT achieve strong low-bit performance under domain shift and class imbalance.
Authors: Xin Yan, Aqiang Wang, Zhenglin Wan, Xingrui Yu, Ivor Tsang
Abstract: Diffusion large language models (DLLMs) have recently emerged as a promising alternative to autoregressive LLMs by generating text through iterative masked denoising with bidirectional context. However, their large model sizes and iterative denoising process introduce substantial memory and computational overhead, motivating post-training quantization for efficient deployment. In this paper, we identify two key challenges for low-bit DLLM quantization: state-dependent activation disparity and temporal error accumulation. Masked and unmasked tokens exhibit different activation distributions within each denoising step, while quantization errors can accumulate across steps during iterative decoding. To address these challenges, we propose STaR-Quant, a state-time consistent PTQ framework for DLLMs. STaR-Quant introduces State-Guided Activation Transformation (SGAT) to assign masked and unmasked tokens to different activation transformation spaces with a unified static weight-side transformation. It further introduces Temporal Attention Compensation (TAC) to correct the quantized attention representation via a lightweight block-diagonal affine mapping. Experiments on representative DLLMs demonstrate that STaR-Quant consistently improves low-bit weight-activation quantization over strong PTQ baselines, while delivering up to 1.69x speedup and 3.14x memory saving over FP16 deployment.
Authors: Al Zadid Sultan Bin Habib, Md Younus Ahamed, Prashnna Kumar Gyawali, Gianfranco Doretto, Donald A. Adjeroh
Abstract: We investigate how to make small tabular foundation models effective for High-Dimensional, Low-Sample Size (HDLSS) tabular prediction without retraining large backbones. We introduce Graph-guided Ordering with Local Refinement (GO-LR), show its equivalence to weighted Minimum Linear Arrangement, and interpret the practical solver as a TSP-path-style surrogate. We propose GOTabPFN,which builds on GO-LR, and a Neuro-Inspired Subunit Compression (NSC) unit to pool locally adjacent ordered features into meta-features, yielding a compact representation that makes TabPFN-style prediction practical in HDLSS regimes. Across tabular benchmarks, GOTabPFN improves stability and accuracy under tight token budgets.
Authors: Jihoon Kim, Saeyon Kim, Heejung Youn
Abstract: This study presents a comprehensive field validation of a multi-resolution Convolutional Long Short-Term Memory (ConvLSTM) framework for predicting retaining wall deformation during staged excavation. The framework is trained on Gaussian noise-augmented numerical simulations and integrates ConvLSTM models operating at different temporal resolutions through a stacking ensemble strategy. The proposed framework is validated using field monitoring data from 34 inclinometers across 11 excavation sites in South Korea. Site-wise prediction performance is systematically evaluated using multiple evaluation metrics, with analyses of the influence of temporal deformation irregularity and spatiotemporal prediction characteristics on model performance. The results demonstrate that the framework predicts retaining wall deformation associated with up to 5.0 m of additional excavation with an average mean absolute error of 1.4 mm and a coefficient of determination of 0.93 across the excavation sites. These results indicate that the framework, although trained exclusively on numerically simulated and augmented database, can be effectively applied to diverse field excavation conditions and achieve a reliable level of prediction accuracy in practical retaining wall deformation prediction.
Authors: Srinivasan Manoharan, Dilipkumar Nallusamy, Sachin Kumar, Haifeng Wu
Abstract: Deploying frontier large language models (LLMs) for domain-specific structured evaluation tasks incurs prohibitive latency, cost, and data-privacy overhead. We present a hybrid framework that fine-tunes a small language model (LLaMA 3.1 8B, 2.05% trainable parameters via LoRA) on only 219 curated examples and couples it with a deterministic rule-based postprocessing layer. Applied to multi-label compliance evaluation of conversational transcripts (18 heterogeneous output fields), our system achieves 100% JSON structural validity, 83.0% human-validated overall accuracy, and 100% accuracy on the most critical classification field in blind evaluation on 53 unseen production transcripts. On a single NVIDIA A100 GPU, inference completes in $\sim$2 seconds -- 2--5x faster than frontier APIs -- at USD 0.013 per evaluation versus USD 0.025--0.055 for proprietary alternatives, yielding 46--76% cost savings. We introduce targeted hard-negative augmentation for critical decision boundaries and formalize the hybrid neural-symbolic decomposition, demonstrating that domain-adapted small language models with postprocessing can match frontier model accuracy while dramatically reducing operational cost, latency, and privacy risk.
Authors: Amirhossein Zare, Amirhessam Zare, Herlock Rahimi, Reza Salarikia, Mohammad Kashkooli
Abstract: Longitudinal treatment decisions from multivariate time-series data require predicting potential outcomes under future treatment sequences in the presence of time-varying confounding, heterogeneous patient dynamics, and limited domain-specific data. Existing longitudinal causal estimators typically address this problem by training a new model for each cohort or simulator. We introduce Causal Longitudinal Prior-Fitted Networks (CausalLongPFN), a prior-fitted network for time-series causal inference in longitudinal treatment-response data and zero-shot in-context counterfactual outcome prediction. The model is pretrained entirely on synthetic episodes sampled from a broad prior over temporal structural causal models, exposing it to treatment-confounder feedback, latent heterogeneity, nonlinear state evolution, delayed effects, and cumulative treatment responses. At test time, CausalLongPFN remains frozen and is used zero-shot: it conditions on support trajectories, a query history, and a planned future treatment sequence, and returns a predictive distribution over future outcomes without gradient updates or propensity-model fitting. Multi-step predictions are obtained by recursively applying the one-step predictor under the specified treatment sequence. We evaluate the model on branchable cancer, HIV, and warfarin benchmarks with ground-truth counterfactual labels, and on factual-only rolling-origin prediction in MIMIC-III ICU trajectories. CausalLongPFN is competitive with domain-trained longitudinal baselines on counterfactual benchmarks and performs strongly on factual MIMIC-III prediction, suggesting that broad synthetic causal pretraining can provide a frozen, amortized alternative for zero-shot longitudinal treatment-response prediction when repeated domain-specific training is costly or impractical.
Authors: Shenzhi Yang, Guangcheng Zhu, Bowen Song, Haobo Wang, Mingxuan Xia, Xing Zheng, Yingfan Ma, Zhongqi Chen, Weiqiang Wang, Gang Chen
Abstract: On-policy distillation (OPD) supervises the student only in output space by matching next-token probabilities. This output-only paradigm has two limits: (1) sampling variance from Monte Carlo KL estimates over large vocabularies (e.g., Qwen's ~150k tokens) persists throughout training, and (2) it treats the teacher as a black-box, discarding all intermediate hidden states after the LM head. We propose On-Policy Representation Distillation (OPRD), which lifts distillation into hidden-state space by aligning student and teacher representations across selected layers on the same rollouts, bypassing the LM head entirely. Theoretically, OPRD eliminates sampling variance and provides richer per-layer structural information. Empirically, OPRD closes the student-teacher gap on AIME 2024/2025 and AIMO, while output-space OPD baselines plateau below the teacher. OPRD also trains 1.44x faster and uses 54% less memory than top-k OPD. Code: https://github.com/ShenzhiYang2000/OPRD.
Authors: Roshni Mahtani, Il\'an Carretero, Laura Monroy, Aldo Moreno-Oyervides, Oscar El\'ias Bonilla-Manrique, Roc\'io del Amor
Abstract: Reliable polymer identification is essential for ensuring the quality and safety of recycled plastics, yet conventional sorting and spectroscopic techniques often struggle to deliver robust discrimination. Terahertz (THz) spectroscopy offers a promising alternative, providing high-resolution and non-destructive measurements. In this work, we leverage THz signals to classify 12 types of polymers, including pure polymers, multilayer films, commercial blends, and biopolymers. To handle the complexity of these spectral signals, we propose the Multi-Scale Feature Attention Network (MSFAN), a novel deep learning architecture tailored for THz data. The framework integrates feature gating for signal recalibration and multi-scale parallel convolutions to capture diverse frequency patterns. These features are further refined through cross-feature attention and attention pooling, enabling the model to intrinsically highlight the most informative THz regions. MSFAN consistently outperforms state-of-the-art models, reaching a classification accuracy of 85.2%. This study demonstrates the potential of combining THz spectroscopy with deep learning techniques for effective, scalable, and interpretable polymer classification.
Authors: Harsh Deshpande, Kushal Chawla, Sangwoo Cho, William Campbell, Sambit Sahu
Abstract: Production agentic systems routinely face evolving constraints and must comply from the very next interaction. Scenarios like a tool-call notification changing a compliance threshold or a policy update adding disclosure requirements fit this criteria, having close to no room for errors in production. This proactive adaptation setting is common in deployment, but absent from current benchmarks, which assume either static constraint sets or reactive protocols with evaluation feedback. We introduce RECAP, a benchmark that measures continual-learning phenomena (forgetting, regression, forward transfer) at the constraint level under a strictly proactive adapt-then-test protocol: prompt optimization methods receive only the constraint specification and must generalize before seeing any test data. Evaluating six methods across four LLMs and three schedules with evolving constraints, we find that these methods show no significant improvement in performance, even after incurring a higher latency. These methods, designed for offline or reactive settings, are inadequate for the proactive paradigm. Our work emphasizes the growing need for designing proactive prompt adaptation methods, where the models must remain robust to evolving needs in deployment.
Authors: Thanawat Lodkaew, Johannes Ackermann, Soichiro Nishimori, Nontawat Charoenphakdee, Masashi Sugiyama, Takashi Ishida
Abstract: A growing failure mode in agent evaluation and training is that models can achieve high evaluation scores by exploiting shortcuts instead of solving the intended task, producing deceptive performance. This makes evaluation scores unreliable as measures of true task-solving ability. We propose CapCode, a framework for constructing coding datasets with randomized tests whose best achievable non-cheating performance is deliberately capped below one. This capped-performance design gives evaluation scores a clearer interpretation: scores substantially above the cap are implausible and therefore provide evidence of cheating. To prevent cheating, we propose CapReward, a reward design based on the CapCode principle to discourage optimization beyond the cap. Experiments across multiple datasets show that CapCode detects cheating while preserving performance ranking of models, and CapReward reduces cheating behavior, yielding models that better follow the intended task specification.
Authors: Chris J. Kennedy, Geoff Bacon, Alexander Sahn, Claudia von Vacano
Abstract: We propose a system for measuring hate speech on a continuous, interval-valued spectrum ranging from genocidal to supportive speech by combining supervised deep learning with faceted Rasch item response theory (IRT). We decompose the theoretical construct of hate speech into constituent concepts operationalized as 10 ordinal labels. Those labels are reconstituted via IRT probabilistic latent modeling into an interval outcome measure while simultaneously estimating and adjusting for each annotator's labeling perspective. Our scaling procedure integrates naturally with a multitask deep learning architecture for automated prediction, allowing design-based explainability of the continuous score through those components. We apply this method to a new, open source dataset of 50,070 social media comments sourced from YouTube, Twitter, and Reddit, annotated and labeled by 11,143 United States-based Amazon Mechanical Turk workers. Our RoBERTa-based model shows improved accuracy compared to alternative approaches. This system offers a new paradigm for supervised NLP that encourages continuous rather than binary constructs, and design-based incorporation of annotator perspective and model explainability.
Authors: Gabriel Vogel, Edwin Hirtreiter, Lukas Schulze Balhorn, Artur M. Schweidtmann
Abstract: SFILES are a text-based notation for chemical process flowsheets. They were originally proposed by d'Anterroches (Process flow sheet generation & design through a group contribution approach) who was inspired by the text-based SMILES notation for molecules. The text-based format has several advantages compared to flowsheet images regarding the storage format, computational accessibility, and eventually for data analysis and processing. However, the original SFILES version cannot describe essential flowsheet configurations unambiguously, such as the distinction between top and bottom products. Neither is it capable of describing the control structure required for the safe and reliable operation of chemical processes. Also, there is no publicly available software for decoding or encoding chemical process topologies to SFILES. We propose the SFILES 2.0 with a complete description of the extended notation and naming conventions. Additionally, we provide open-source software for the automated conversion between flowsheet graphs and SFILES 2.0 strings. This way, we hope to encourage researchers and engineers to publish their flowsheet topologies as SFILES 2.0 strings. The ultimate goal is to set the standards for creating a FAIR database of chemical process flowsheets, which would be of great value for future data analysis and processing.
Authors: Yuka Hashimoto, Ayoub Hafid, Masahiro Ikeda, Hachem Kadri
Abstract: A central question in vector- and function-valued learning is how to design kernels that capture both local and non-local interactions while remaining computationally tractable. Existing operator-valued kernels offer only partial answers: separable kernels are efficient but fail to model interactions across the function domain, while commutative kernels capture only pointwise structure. To address this, we propose spectral truncation kernels, a new class of positive definite kernels for vector- and function-valued learning based on spectral truncation and $C^*$-algebra. By allowing noncommutative products in the kernel construction, the proposed kernels induce interactions across the data function domain and fill the gap between existing separable and commutative kernels. In addition, by using the $C^*$-algebraic framework, we reduce the computational cost compared to the existing vector-valued RKHS framework with operator-valued kernels.
Authors: Kai Nakaishi, Yoshihiko Nishikawa, Koji Hukushima
Abstract: Generation of text and speech in natural languages can be modeled as a stochastic process. This idea dates back to the seminal work of Markov and, later, to that of Shannon and also underlies the recent development of large language models (LLMs). The stochastic processes corresponding to natural languages should be distinct from those that generate nonlinguistic sequences. One of the features that discriminate linguistic and nonlinguistic sequences is power-law behavior, which is universally observed across different languages. In statistical physics, such behavior suggests that natural languages are critical: They lie near a phase transition point in a parametrized space of stochastic processes. However, testing this conjecture is not straightforward. A phase transition, even if it exists, cannot be directly observed in real-world natural languages because they do not have any controllable parameters. Here, we use LLMs as controllable effective models of natural languages. Through statistical analyses of texts generated by LLMs, we find that, when a parameter analogous to physical temperature is varied, LLMs undergo a phase transition. The transition separates a low-temperature phase with complex repetitive structures in generated texts from a high-temperature phase in which LLMs generate incomprehensible texts. At the critical point between these phases, generated texts display the power-law behavior similar to that of natural languages and most closely resemble natural languages as measured by a standard metric in natural language processing. These findings strongly suggest that natural languages are indeed critical.
Authors: Boris Landa, Yuval Kluger, Rong Ma
Abstract: Embedding high-dimensional data into a low-dimensional space is an indispensable component of data analysis. In numerous applications, it is necessary to align and jointly embed multiple datasets from different studies or experimental conditions. Such datasets may share underlying structures of interest but exhibit individual distortions, resulting in misaligned embeddings using traditional techniques. In this work, we propose Entropic Optimal Transport (EOT) eigenmaps, a principled approach for aligning and jointly embedding a pair of datasets with theoretical guarantees. Our approach leverages the leading singular vectors of the EOT plan matrix between two datasets to extract their shared underlying structure and align them in a common embedding space. We interpret our approach as an inter-data variant of the classical Laplacian eigenmaps and diffusion maps embeddings, showing that it enjoys many favorable analogous properties. We analyze a generative model in which two observed high-dimensional datasets share latent variables supported on a common low-dimensional manifold, while each dataset is subject to translation, geometric distortion, orthogonal nuisance structure, and noise. In a large-sample, high-dimensional regime, we prove that the EOT plan concentrates around a population kernel on an effective manifold determined by the geometric mean of the distortions, with invariance to translations, orthogonal nuisance structure, and noise. Subsequently, we relate our embedding to eigenfunctions of population-level operators encoding the density and geometry of the shared manifold. Finally, we showcase the performance of our approach for data integration and embedding through simulations and analyses of real-world biological data, demonstrating its advantages over alternative methods in challenging scenarios.
Authors: Marc Schmitt
Abstract: The integration of Artificial Intelligence (AI) into corporate strategy has become critical for organizations seeking to maintain competitive advantage in the digital age. Although organizations increasingly rely on AI as a strategic and organizational resource, existing C-suite roles remain only partially equipped to govern, integrate, and leverage it coherently at the enterprise level. Organizations vary in their responses. Some create a dedicated Chief AI Officer (CAIO), others extend existing mandates into hybrid roles, and still others coordinate AI through federated structures. This paper develops a role-design theory to explain this variation. I identify three properties that distinguish AI from earlier cross-cutting enterprise technologies - distributed accountability for judgment, upstream governance, and non-stationarity - and three configurations through which organizations respond: concentrated extension, distributed extension, and role creation. The CAIO Framework links these properties to the executive design problems they generate and to the functions and capabilities required of the dedicated role. Four propositions specify when a dedicated CAIO emerges, what form an organization's response takes, when the dedicated role is effective, and how configurations evolve over time. This paper contributes to research on executive leadership, organizational design, and digital governance by offering a theory-driven account of the strategic integration of AI at the executive level.
Authors: Mickael Basson, Philippe Preux
Abstract: We investigate diffusion models to solve the Traveling Salesman Problem. Building on the recent DIFUSCO and T2TCO approaches, we propose IDEQ. IDEQ improves the quality of the solutions by leveraging the constrained structure of the state space of the TSP. Another key component of IDEQ consists in replacing the last stages of DIFUSCO curriculum learning by considering a uniform distribution over the Hamiltonian tours whose orbits by the 2-opt operator converge to the optimal solution as the training objective. Our experiments show that IDEQ improves the state of the art for such neural network based techniques on synthetic instances. More importantly, our experiments show that IDEQ performs very well on the instances of the TSPlib, a reference benchmark in the TSP community: it closely matches the performance of the best heuristics, LKH3, being even able to obtain better solutions than LKH3 on 2 instances of the TSPlib defined on 1577 and 3795 cities. IDEQ obtains 0.3% optimality gap on TSP instances made of 500 cities, and 0.5% on TSP instances with 1000 cities. This sets a new SOTA for neural based methods solving the TSP. Moreover, IDEQ exhibits a lower variance and better scales-up with the number of cities with regards to DIFUSCO and T2TCO.
Authors: Zhangsong Li
Abstract: In this paper, we focus on the matching recovery problem between a pair of correlated Gaussian Wigner matrices with a latent vertex correspondence. We are particularly interested in a robust version of this problem such that our observation is a perturbed input $(A+E,B+F)$ where $(A,B)$ is a pair of correlated Gaussian Wigner matrices and $E,F$ are adversarially chosen matrices supported on an unknown $\epsilon n * \epsilon n$ principal minor of $A,B$, respectively. We propose an approximate message passing (AMP) type iterative algorithm that succeeds in polynomial time as long as the correlation $\rho$ between $(A,B)$ is a non-vanishing constant and $\epsilon = o\big( \tfrac{1}{(\log n)^{20}} \big)$. A key distinction from standard AMP is the introduction of a time-dependent matrix multiplication step within the iteration, which simultaneously enlarges the feature dimension and cancels the correlation during the iteration. The main methodological inputs for our result are the iterative random graph matching algorithm proposed in \cite{DL22+, DL23+} and the spectral preprocessing procedure proposed in \cite{IS24+}. To the best of our knowledge, our algorithm is the first efficient random graph matching type algorithm that is robust under any adversarial perturbations of $n^{1-o(1)}$ size.
Authors: Shuo Shao, Haozhe Zhu, Yiming Li, Hongwei Yao, Tianwei Zhang, Zhan Qin
Abstract: Model fingerprinting has emerged as a crucial mechanism for safeguarding the intellectual property of open-source models, offering a non-intrusive approach that requires no modifications to the protected model. However, our analysis reveals that existing fingerprinting techniques are fundamentally vulnerable to false claim attacks, wherein adversaries can fraudulently assert ownership over independent third-party models. We demonstrate that this vulnerability stems from the untargeted nature of current methods, which evaluate model similarity based on arbitrary sample outputs rather than alignment with a specific, predefined reference. To mitigate this vulnerability, we introduce FIT-Print, a targeted fingerprinting paradigm that actively counters false claim attacks. Specifically, FIT-Print leverages optimization to transform the fingerprint into a verifiable, targeted signature. Building upon this foundation, we propose two black-box fingerprinting methods, the bit-wise FIT-ModelDiff and the list-wise FIT-LIME, which utilize output distances and feature attributions as robust model signatures, respectively. Extensive evaluations across benchmark models and datasets show that our framework perfectly neutralizes false claim attacks (100% defense success rate) and eliminates false alarms on independent models (0.0%), all while maintaining a 100% ownership verification rate against diverse model reuse techniques.
Authors: Somaiyeh Dehghan, Mehmet Umut Sen, Berrin Yanikoglu
Abstract: Hate speech detection is a crucial task, especially on social media where harmful content can spread quickly. Collecting social media content (tweets etc.) to train machine learning models is easy, but detecting and categorizing hate speech can be difficult due to the inherently subjective nature. This subjectivity leads to frequent disagreement among annotators, particularly for subtle or borderline content. Traditional approaches either discard non-consensus samples or force a ''gold standard'' through expert adjudication, ignoring valuable information about uncertainty and diverse human perspectives. We examine the largely overlooked problem of annotator disagreement in hate speech classification and evaluate a range of aggregation methods, including majority voting, ordinal strategies (minimum, maximum, and mean), and analyze their impact across binary, 4-class, and 6-class classification tasks. In addition, we leverage annotators' perceived hate speech strength scores to explore regression-based and hybrid modeling approaches. Among others, we show that filtering non-consensus samples results in over-optimistic results and that the perceived strength provides a complementary signal that enhance classification performance. Finally, we establish new state-of-the-art results for hate speech detection in Turkish tweets, and demonstrate that annotator disagreement, when properly modeled, is a valuable resource for building more robust and reliable systems.
Authors: Yufan Li, Pragya Sur
Abstract: We study the fundamental problem of calibrating a linear binary classifier of the form $\sigma(\hat{w}^\top x)$, where the feature vector $x$ is Gaussian, $\sigma$ is a link function, and $\hat{w}$ is an estimator of the true linear weight $w^\star$. By interpolating with a noninformative $\textit{chance classifier}$, we construct a well-calibrated predictor whose interpolation weight depends on the angle $\angle(\hat{w}, w_\star)$ between the estimator $\hat{w}$ and the true linear weight $w_\star$. We establish that this angular calibration approach is provably well-calibrated in a high-dimensional regime where the number of samples and features both diverge, at a comparable rate. The angle $\angle(\hat{w}, w_\star)$ can be consistently estimated. Furthermore, the resulting predictor is uniquely $\textit{Bregman-optimal}$, minimizing the Bregman divergence to the true label distribution within a suitable class of calibrated predictors. Our work is the first to provide a calibration strategy that satisfies both calibration and optimality properties provably in high dimensions. Additionally, we identify conditions under which a classical Platt-scaling predictor converges to our Bregman-optimal calibrated solution. Thus, Platt-scaling also inherits these desirable properties provably in high dimensions.
Authors: Eugen Barbulescu, Antonio Alexoaie, Lucian Busoniu
Abstract: Network pruning is used to reduce inference latency and power consumption in large neural networks. However, most methods focus on empirical results at the expense of understanding the pruning process. We introduce Hyperflux, a novel $L_0$ method which models pruning as a continuously evolving system determined by flux, the gradient response to a weight's removal, and pressure, a global regularization driving weights toward pruning. By exploiting this model, Hyperflux's pruning behavior becomes understandable at both microscopic (weight regrowth/pruning) and macroscopic (sparsity convergence, etc.) levels. We also introduce a novel pressure scheduler that reliably targets desired sparsities. Hyperflux achieves competitive results with ResNet-50, VGG-19 and DeiT-T/S on CIFAR-10, CIFAR-100 and ImageNet datasets.
Authors: Benedikt Koch, Kosuke Imai
Abstract: Many researchers apply classical statistical decision theory to evaluate treatment choices and learn optimal policies. However, because this framework relies solely on realized outcomes under chosen actions and ignores counterfactuals, it cannot assess the quality of a decision relative to feasible alternatives at the unit level, which is an important requirement in some settings. For example, in pretrial bail decisions, a judge must balance crime prevention upon release against the risk of imposing unnecessary burdens on arrestees. A central challenge in this framework is identification: since only one potential outcome is observed per unit, counterfactual risk is typically not identifiable. We show that, under strong ignorability, counterfactual risk is identifiable if and only if the loss is additive in the potential outcomes. We further demonstrate that additive counterfactual losses can yield treatment recommendations that differ from those based on standard losses when more than two treatment options are available. We show that additive counterfactual losses capture not only decision accuracy but also decision difficulty, whereas standard losses reflect accuracy alone. Finally, we introduce a symbolic linear inverse program that determines whether a given counterfactual loss yields an identifiable risk, without requiring data.
Authors: Francesco Sovrano
Abstract: Large language models (LLMs) can amplify misinformation, undermining societal goals such as the UN SDGs. We study three documented drivers of misinformation (valence framing, information overload, and oversimplification) often shaped by default beliefs. Building on evidence that LLMs encode such defaults (e.g., "joy is positive", "math is complex") and can act as "bags of heuristics", we ask whether belief-driven heuristics behind misinformation-related behaviour can be recovered from black-box LLM behaviour as explicit rules. A key obstacle is that global rule-extraction methods in explainable AI (XAI) are built for numerical input-output data, not text. We address this by eliciting global LLM beliefs and mapping them to numerical scores via statistically validated abstractions, enabling off-the-shelf global XAI to detect belief-driven heuristics. For ground truth, we inject nonlinear behavioural triggers of increasing complexity (univariate, conjunctive, non-convex) into GPT-family and Llama models via system instructions. We find that RuleFit often misses non-univariate triggers, while global SHAP better ranks conjunctive trigger features but yields no symbolic rules. To bridge this gap, we propose RuleSHAP, a rule-extraction algorithm that couples global SHAP aggregates with rule induction to better capture non-univariate triggers, improving MRR@1 over RuleFit by +82% on average. Our results suggest a practical pathway for surfacing behavioural triggers in LLMs.
Authors: Nina Vesseron, Elsa Cazelles, Alice Le Brigant, Thierry Klein
Abstract: This paper focuses on Geodesic Principal Component Analysis (GPCA) on a collection of probability distributions using the Otto-Wasserstein geometry. The goal is to identify geodesic curves in the space of probability measures that best capture the modes of variation of the underlying dataset. We first address the case of a collection of Gaussian distributions, and show how to lift the computations in the space of invertible linear maps. For the more general setting of absolutely continuous probability measures, we leverage a novel approach to parameterizing geodesics in Wasserstein space with neural networks. Finally, we compare to classical tangent PCA through various examples and provide illustrations on real-world datasets.
Authors: Kristian Minchev, Dimitar I. Dimitrov, Nikola Konstantinov
Abstract: Public datasets, crucial for modern machine learning and statistical inference, often contain low-quality or contaminated samples that can harm model performance. This creates a need for principled prefiltering procedures that a data provider can apply to protect the accuracy of a range of potential downstream statistical and learning procedures simultaneously. In this work, we formalize and analyze Learner-Agnostic Robust data Prefiltering (LARP), the problem of designing prefiltering procedures with guarantees on the worst-case loss over a pre-specified set of learners. We establish the feasibility of LARP in two theoretical settings, by providing upper-bound guarantees on the worst-case loss. Our theoretical results indicate that protecting heterogeneous learner sets via LARP comes at the price of some performance loss compared to individual, learner-specific prefiltering; we call this gap the price of LARP. To assess this gap in performance, we empirically measure the price of LARP across image and tabular tasks. We further explore potential benefits of LARP from the perspective of saving on repeated data curation efforts, in a game-theoretic model where the downstream learners can split the cost of the single prefiltering.
Authors: Jin-Hong Du, Kathryn Roeder, Larry Wasserman
Abstract: When predictors are statistically dependent, the appropriate definition of feature importance depends on the operational goal. Conditional-incremental measures are well-suited for feature selection, acquisition, and compression, where shared predictive information is treated as redundancy. For post-hoc interpretation, however, the goal is often to attribute predictive signals across correlated measurement channels. We introduce Disentangled Feature Importance (DFI), a population-level attribution framework for this setting. DFI maps covariates to an independent latent representation under a specified entropic optimal transport geometry, computes latent importance, and attributes it back to the original covariates through barycentric sensitivities. We show that broad conditional-incremental FI functionals target conditional incremental predictive value under squared-error loss, and therefore answer a different question from attribution of shared predictive signal under dependence. Under fixed transport cost, reference law, and regularization level, DFI defines a well-specified family of estimands. Latent scores admit a functional ANOVA interpretation, and in the Gaussian linear case, the attributed DFI recovers the classical $R^2$ decomposition for correlated regressors. We derive influence-function-based inference under nuisance-rate and smoothness conditions, and show in simulations and an HIV-1 neutralization-resistance analysis that DFI yields stable, interpretable, uncertainty-quantified attributions of shared predictive signal.
Authors: Ram S Iyer
Abstract: With the intervention of machine vision in our crucial day to day necessities including healthcare and automated power plants, attention has been drawn to the internal mechanisms of convolutional neural networks, and the reason why the network provides specific inferences. This paper proposes a novel post-hoc visual explanation method called MI CAM based on activation mapping. Differing from previous class activation mapping based approaches, MI CAM produces saliency visualizations by weighing each feature map through its mutual information with the input image and the final result is generated by a linear combination of weights and activation maps. It also adheres to producing causal interpretations as validated with the help of counterfactual analysis. We aim to exhibit the visual performance and unbiased justifications for the model inferencing procedure achieved by MI CAM. Our approach works at par with all state-of-the-art methods but particularly outperforms some in terms of qualitative and quantitative measures.
Authors: Trevor Harris, Yan Liu
Abstract: Operator models are regression algorithms between Banach spaces of functions. They have become an increasingly critical tool for spatiotemporal forecasting and physics emulation, especially in high-stakes scenarios where robust, calibrated uncertainty quantification is required. We introduce Local Sliced Conformal Inference (LSCI), a distribution-free framework for generating function-valued, locally adaptive prediction sets for operator models. We prove finite-sample validity and derive a data-dependent upper bound on the coverage gap under local exchangeability. On synthetic Gaussian-process tasks and real applications (air quality monitoring, energy demand forecasting, and weather prediction), LSCI yields tighter sets with stronger adaptivity compared to conformal baselines. We also empirically demonstrate robustness against biased predictions and certain out-of-distribution noise regimes.
Authors: Jiayuan Wang, Farhad Pourpanah, Q. M. Jonathan Wu, Ning Zhang
Abstract: Connected autonomous vehicles (CAVs) must simultaneously perform multiple tasks, such as perception, prediction, planning, and control, to ensure safe and reliable navigation in complex environments. Moreover, through vehicle-to-everything (V2X) communication, cooperative perception and driving among CAVs can be enabled, thereby mitigating the limitations of individual vehicles, while it also introduces stringent latency, reliability, and bandwidth constraints. Traditionally, tasks are addressed using separate models, which leads to high deployment costs, increased computational overhead, and challenges in achieving real-time performance. Multi-task learning (MTL) has recently emerged as a promising solution that enables the joint learning of multiple tasks within a unified model. This offers improved efficiency and resource utilization. To the best of our knowledge, this survey is the first comprehensive review focusing on deep MTL in CAVs. We begin with an overview of CAVs and MTL to provide foundational background. Then, we review MTL approaches across key functional domains in CAVs, including perception, prediction, planning, control, as well as V2X communications and radio resource management (RRM). For the first four domains, we categorize existing works under ego vehicle-only (onboard-only) and V2X-enhanced cooperative (multi-agent) paradigms. We further discuss V2X communications and RRM as communication-centric MTL problems. Finally, we discuss the strengths and limitations of existing methods, identify key research gaps, and provide future research directions aimed at advancing MTL methodologies for CAV systems.
Authors: Emre Sahinoglu, Shahin Shahrampour
Abstract: We study decentralized online Riemannian optimization over manifolds with possibly positive curvature, going beyond the Hadamard manifold setting. Decentralized optimization techniques rely on a consensus step that is well understood in Euclidean spaces because of their linearity. However, in positively curved Riemannian spaces, a main technical challenge is that geodesic distances may not induce a globally convex structure. In this work, we first analyze a curvature-aware Riemannian consensus step that enables a linear convergence beyond Hadamard manifolds. Building on this step, we establish a $O(\sqrt{T})$ regret bound for the decentralized online Riemannian gradient descent algorithm. Then, we investigate the two-point bandit feedback setup, where we employ computationally efficient gradient estimators using smoothing techniques, and we demonstrate the same $O(\sqrt{T})$ regret bound through the subconvexity analysis of smoothed objectives.
Authors: Lei Wang, Syuan-Hao Li, Piotr Koniusz, Yongsheng Gao
Abstract: Research in video understanding has advanced rapidly, driven by increasingly diverse datasets and more powerful model architectures. While existing surveys typically organize progress by tasks, benchmarks, or model families, they provide limited insight into why particular architectures emerged and succeeded. In this survey, we argue that the evolution of video understanding is fundamentally shaped by dataset structure. We present a dataset-centric perspective that connects dataset structure, inductive biases, and architectural design within a unified framework. We show that different datasets require models to capture specific invariances and capabilities, such as robustness to viewpoint changes, sensitivity to temporal ordering, reasoning over long-range dependencies, relational interactions, and cross-modal alignment. These requirements naturally give rise to inductive biases, i.e., architectural assumptions that favor particular patterns of reasoning and generalization. From this perspective, milestone architectures, including two-stream networks, 3D CNNs, temporal models, transformers, graph-based methods, and multimodal foundation models, can be understood as architectural responses to the challenges posed by evolving datasets. Building on this framework, we systematically analyze how dataset characteristics have shaped architectural innovation across video understanding tasks and discuss the representational biases induced by different data regimes. By unifying datasets, inductive biases, and architectures into a coherent perspective, this survey offers both a retrospective explanation of the field's evolution and a forward-looking roadmap toward general-purpose video understanding systems. Code and dynamic video visualizations of dataset-induced biases are available at https://time.griffith.edu.au/paper-sites/video-understanding/.
URLs: https://time.griffith.edu.au/paper-sites/video-understanding/.
Authors: Jordan Sassoon, Michal Szczepanski, Martyna Poreba
Abstract: Vision Transformers (ViTs) have recently achieved strong results in semantic segmentation, yet their deployment on resource-constrained devices remains limited due to their high memory footprint and computational cost. Quantization offers an effective strategy to improve efficiency, but ViT-based segmentation models are notoriously fragile under low precision, as quantization errors accumulate across deep encoder-decoder pipelines. We introduce I-Segmenter, the first fully integer-only ViT segmentation framework. Building on the Segmenter architecture, I-Segmenter systematically replaces floating-point operations with integer-only counterparts. To further stabilize both training and inference, we propose $\lambda$-ShiftGELU, a novel activation function that mitigates the limitations of uniform quantization in handling long-tailed activation distributions. In addition, we remove the L2 normalization layer and replace bilinear interpolation in the decoder with nearest neighbor upsampling, ensuring integer-only execution throughout the computational graph. Extensive experiments show that I-Segmenter achieves accuracy within a reasonable margin of its FP32 baseline (5.1 % on average), while reducing model size by up to 3.8x and enabling up to 1.2x faster inference with optimized runtimes. Notably, even in one-shot PTQ with a single calibration image, I-Segmenter delivers competitive accuracy, underscoring its practicality for real-world deployment.
Authors: Anh Tu Ngo, Anupam Chattopadhyay, Subhamoy Maitra
Abstract: In this paper we show that cryptographic backdoors in a neural network (NN) can be highly effective in two directions, namely mounting the attacks as well as in presenting the defenses as well. On the attack side, a carefully planted cryptographic backdoor enables powerful and invisible attack on the NN. Considering the defense, we present applications: first, a provably robust NN watermarking scheme; second, a protocol for guaranteeing user authentication; and third, a protocol for tracking unauthorized sharing of the NN intellectual property (IP). From a broader theoretical perspective, borrowing the ideas from Goldwasser et. al. [FOCS 2022], our main contribution is to show that all these instantiated practical protocol implementations are provably robust. The protocols for watermarking, authentication and IP tracking resist an adversary with black-box access to the NN, whereas the backdoor-enabled adversarial attack is impossible to prevent under the standard assumptions. While the theoretical tools used for our attack is mostly in line with the Goldwasser et. al. ideas, the proofs related to the defense need further studies. Finally, all these protocols are implemented on state-of-the-art NN architectures with empirical results corroborating the theoretical claims. Further, one can utilize post-quantum primitives for implementing the cryptographic backdoors, laying out foundations for quantum-era applications in machine learning (ML).
Authors: Jonas J\"ager, Philipp Els\"asser, Elham Torabian
Abstract: Current quantum computers require algorithms that use limited resources economically. In quantum machine learning, success hinges on quantum feature-maps, which embed classical data into the state space of qubits. We introduce Quantum Feature-Map Learning via Analytic Iterative Reconstructions (Q-FLAIR), an algorithm that reduces quantum resource overhead in iterative feature-map circuit construction. It shifts workloads to a classical computer via partial analytic reconstructions of the quantum model, using only a few evaluations. For each probed gate addition to the ansatz, the simultaneous selection and optimization of the data feature and weight parameter is then entirely classical. Integrated into quantum neural network and quantum kernel support vector classifiers, Q-FLAIR shows state-of-the-art benchmark performance. Since resource overhead decouples from feature dimension, we train a quantum model on a real IBM device in only four hours, surpassing 90% accuracy on the full-resolution MNIST dataset (784 features, digits 3 vs 5). Such results were previously unattainable, as the feature dimension prohibitively drives hardware demands for fixed and search costs for adaptive ans\"atze. Furthermore, Q-FLAIR demonstrates de-quantization robustness against direct classical modeling, satisfying a benchmark rare in the literature and a necessary condition for potential quantum advantage. By rethinking feature-map learning beyond black-box optimization, this work takes a concrete step toward enabling quantum machine learning for real-world problems and near-term quantum computers.
Authors: Sean Moran
Abstract: Approximate nearest neighbour (ANN) search underpins large-scale retrieval, increasingly within the retrieval-augmented generation pipelines that ground large language models, yet the methods that address it have multiplied across communities until they are seldom read as a single field. We argue they form one field with three design choices, and develop the projection-quantisation-organisation (PQO) lens, under which locality-sensitive hashing, learned binary hashing, deep end-to-end hashing, product quantisation, graph-based indexes, and the binary embeddings of modern vector databases are all settings of three coupled questions: where to place the projections, where to place the quantisation thresholds, and how to organise the resulting codes. The projection-then-quantisation reading is established; our contribution is the third, co-equal organisation stage, a demonstration that the three run unbroken from the field's origins to the deep, product-quantisation, graph, and retrieval-augmented eras, and a reproducible measurement that turns the lens from classifying methods to predicting them. The measurement yields three findings. First, memory is won on the quantisation axis: a one-bit code is a thirty-second the size of the float, and a single full-precision re-ranking pass over a short candidate list recovers uncompressed quality in full. Second, the trade-off orderings the lens anticipates recur unchanged as the embedding grows. Third, where supervision is available, an eight-byte code more than doubles the quality of the two-kilobyte float it replaces. We release these measurements as BitBudget, an extensible benchmark with a live leaderboard, recast generative retrieval's "semantic identifiers" as quantisation codes, and identify the open problems that follow as compact codes return to the centre of large-scale retrieval.
Authors: Kostas Triaridis, Alexandros Graikos, Aggelina Chatziagapi, Grigorios G. Chrysos, Dimitris Samaras
Abstract: Hallucinations in diffusion models are samples with structural inconsistencies that can emerge due to the excessive smoothing of the learned score function, which in turn leads to interpolations between modes of the data distribution. Since semantic interpolations are often desirable and contribute to sample diversity, we believe that a nuanced and targeted solution is required to address diffusion model hallucinations. In this work, we introduce Dynamic Guidance, which mitigates hallucinations by selectively sharpening the score function only along the pre-determined directions known to cause artifacts, while preserving valid semantic variations. This sharpening can be performed using either pre-determined classes or semantically coherent clusters that form pseudo-classes over the data distribution. The latter allows for a principled extension of Dynamic Guidance to text-to-image generation, where we select modes to correspond to fine-grained contextual differences in textual descriptions. To our knowledge, this is the first approach that addresses hallucinations at generation time rather than through post-hoc filtering. Dynamic Guidance substantially reduces hallucinations on both controlled and natural image datasets, significantly outperforming baselines.
Authors: Do Tien Hai, Trung Nguyen Mai, TrungTin Nguyen, Nhat Ho, Binh T. Nguyen, Christopher Drovandi
Abstract: We develop a unified statistical framework for softmax-gated Gaussian mixture of experts (SGMoE) that addresses three long-standing obstacles in parameter estimation and model selection: (i) non-identifiability of gating parameters up to common translations, (ii) intrinsic gate-expert interactions that induce coupled differential relations in the likelihood, and (iii) the tight numerator-denominator coupling in the softmax-induced conditional density. Our approach introduces Voronoi-type loss functions aligned with the gate-partition geometry and establishes finite-sample convergence rates for the maximum likelihood estimator (MLE). In over-specified models, we reveal a link between the MLE's convergence rate and the solvability of an associated system of polynomial equations characterizing near-nonidentifiable directions. For model selection, we adapt dendrograms of mixing measures to SGMoE, yielding a consistent, sweep-free selector of the number of experts that attains pointwise-optimal parameter rates under overfitting while avoiding multi-size training. Simulations on synthetic data corroborate the theory, accurately recovering the expert count and achieving the predicted rates for parameter estimation while closely approximating the regression function. Under model misspecification (e.g., $\epsilon$-contamination), the dendrogram selection criterion is robust, recovering the true number of mixture components, while the Akaike information criterion, the Bayesian information criterion, and the integrated completed likelihood tend to overselect as sample size grows. On a maize proteomics dataset of drought-responsive traits, our dendrogram-guided SGMoE selects two experts, exposes a clear mixing-measure hierarchy, stabilizes the likelihood early, and yields interpretable genotype-phenotype maps, outperforming standard criteria without multi-size training.
Authors: Yang Li, Zhichen Dong, Yuhan Sun, Weixun Wang, Shaopan Xiong, Yijia Luo, Jiashun Liu, Han Lu, Jiamang Wang, Wenbo Su, Bo Zheng, Junchi Yan
Abstract: The reasoning pattern of Large language models (LLMs) remains opaque, and reinforcement learning (RL) typically applies uniform credit across an entire generation, blurring the distinction between pivotal and routine steps. This work positions attention as a privileged substrate that renders the internal logic of LLMs legible, not merely as a byproduct of computation, but as a mechanistic blueprint of reasoning itself. We first distinguish attention heads between locally and globally focused information processing and reveal that locally focused heads produce a sawtooth pattern near the diagonal indicating phrasal chunks, while globally focused heads expose tokens that exert broad downstream influence over future tokens. We formalize these with two metrics: 1) Windowed Average Attention Distance, which measures the extent of backward attention within a clipped window; 2) Future Attention Influence, which quantifies a token's global importance as the average attention it receives from subsequent tokens. Taken together, these signals reveal a recurring preplan-and-anchor mechanism, where the model first performs a long-range contextual reference to generate an introductory token, which is immediately followed by or coincides with a semantic anchor token that organizes subsequent reasoning. Leveraging these insights, we introduce three novel RL strategies that dynamically perform targeted credit assignment to critical nodes (preplan tokens, anchor tokens, and their temporal coupling) and show consistent performance gains across various reasoning tasks. By aligning optimization with the model's intrinsic reasoning rhythm, we aim to transform opaque optimization into an actionable structure-aware process, hoping to offer a potential step toward more transparent and effective optimization of LLM reasoning.
Authors: Jianzhu Yao, Hongxu Su, Taobo Liao, Zerui Cheng, Huan Zhang, Xuechao Wang, Pramod Viswanath
Abstract: Neural networks increasingly run on hardware outside the user's control (cloud GPUs, inference marketplaces). Yet ML-as-a-Service reveals little about what actually ran or whether returned outputs faithfully reflect the intended inputs. Users lack recourse against service downgrades (model swaps, quantization, graph rewrites, or discrepancies like altered ad embeddings). Verifying outputs is hard because floating-point(FP) execution on heterogeneous accelerators is inherently nondeterministic. Existing approaches are either impractical for real FP neural networks or reintroduce vendor trust. We present TAO: a Tolerance Aware Optimistic verification protocol that accepts outputs within principled operator-level acceptance regions rather than requiring bitwise equality. TAO combines two error models: (i) sound per-operator IEEE-754 worst-case bounds and (ii) tight empirical percentile profiles calibrated across hardware. Discrepancies trigger a Merkle-anchored, threshold-guided dispute game that recursively partitions the computation graph until one operator remains, where adjudication reduces to a lightweight theoretical-bound check or a small honest-majority vote against empirical thresholds. Unchallenged results finalize after a challenge window, without requiring trusted hardware or deterministic kernels. We implement TAO as a PyTorch-compatible runtime and a contract layer currently deployed on Ethereum Holesky testnet. The runtime instruments graphs, computes per-operator bounds, and runs unmodified vendor kernels in FP32 with negligible overhead (0.3% on Qwen3-8B). Across CNNs, Transformers and diffusion models on A100, H100, RTX6000, RTX4090, empirical thresholds are $10^2-10^3$ times tighter than theoretical bounds, and bound-aware adversarial attacks achieve 0% success. Together, TAO reconciles scalability with verifiability for real-world heterogeneous ML compute.
Authors: Neeladri Bhuiya, Madhav Aggarwal, Diptanshu Purwar
Abstract: Large Language Models (LLMs) are improving at an exceptional rate. With the advent of agentic workflows, multi-turn dialogue has become the de facto mode of interaction with LLMs for completing long and complex tasks. While LLM capabilities continue to improve, they remain increasingly susceptible to jailbreaking, especially in multi-turn scenarios where harmful intent can be subtly injected across the conversation to produce nefarious outcomes. While single-turn attacks have been extensively explored, adaptability, efficiency and effectiveness continue to remain key challenges for their multi-turn counterparts. To address these gaps, we present PLAGUE, a novel plug-and-play framework for designing multi-turn attacks inspired by lifelong-learning agents. PLAGUE dissects the lifetime of a multi-turn attack into three carefully designed phases (Primer, Planner and Finisher) that enable a systematic and information-rich exploration of the multi-turn attack family. Evaluations show that red-teaming agents designed using PLAGUE achieve state-of-the-art jailbreaking results, improving attack success rates (ASR) by more than 30% across leading models in a lesser or comparable query budget. Particularly, PLAGUE enables an ASR (based on StrongReject) of 81.4% on OpenAI's o3 and 67.3% on Claude's Opus 4.1, two models that are considered highly resistant to jailbreaks in safety literature. Our work offers tools and insights to understand the importance of plan initialization, context optimization and lifelong learning in crafting multi-turn attacks for a comprehensive model vulnerability evaluation.
Authors: Laura Jiang, Reza Ryan, Qian Li, Nasim Ferdosian
Abstract: Anomaly detection is a critical task in cybersecurity, where identifying insider threats, access violations, and coordinated attacks is essential for ensuring system resilience. Graph-based approaches have become increasingly important for modeling entity interactions, yet most rely on homogeneous and static structures, which limits their ability to capture the heterogeneity and temporal evolution of real-world environments. Heterogeneous Graph Neural Networks (HGNNs) have emerged as a promising paradigm for anomaly detection by incorporating type-aware transformations and relation-sensitive aggregation, enabling more expressive modeling of complex cyber data. However, current research on HGNN-based anomaly detection remains fragmented, with diverse modeling strategies, limited comparative evaluation, and an absence of standardized benchmarks. To address this gap, we provide a comprehensive survey of HGNN-based anomaly detection methods in cybersecurity. We introduce a taxonomy that classifies approaches by anomaly type and graph dynamics, analyze representative models, and map them to key cybersecurity applications. We also review commonly used benchmark datasets and evaluation metrics, highlighting their strengths and limitations. Finally, we identify key open challenges related to modeling, data, and deployment, and outline promising directions for future research. This survey aims to establish a structured foundation for advancing HGNN-based anomaly detection toward scalable, interpretable, and practically deployable solutions.
Authors: Kevin Zielnicki, Guy Aridor, Aur\'elien Bibaut, Allen Tran, Winston Chou, Nathan Kallus
Abstract: Personalized recommendation systems shape much of user choice online, yet their targeted nature makes separating out the value of recommendation and the underlying goods challenging. We build a discrete choice model that embeds recommendation-induced utility, low-rank heterogeneity, and flexible state dependence and apply the model to viewership data at Netflix. We exploit idiosyncratic variation introduced by the recommendation algorithm to identify and separately value these components as well as to recover model-free diversion ratios that we can use to validate our structural model. We use the model to evaluate counterfactuals that quantify the incremental engagement generated by personalized recommendations. First, we show that replacing the current recommender system with a matrix factorization or popularity-based algorithm would lead to 4% and 12% reduction in engagement, respectively, and decreased consumption diversity. Second, most of the consumption increase from recommendations comes from effective targeting, not mechanical exposure, with the largest gains for mid-popularity goods (as opposed to broadly appealing or very niche goods).
Authors: Zhiyuan Zeng, Hamish Ivison, Yiping Wang, Lifan Yuan, Shuyue Stella Li, Zhuorui Ye, Siting Li, Jacqueline He, Runlong Zhou, Tong Chen, Chenyang Zhao, Yulia Tsvetkov, Simon Shaolei Du, Natasha Jaques, Hao Peng, Pang Wei Koh, Hannaneh Hajishirzi
Abstract: We introduce Reinforcement Learning (RL) with Adaptive Verifiable Environments (RLVE), an approach using verifiable environments that procedurally generate problems and provide algorithmically verifiable rewards, to scale up RL for language models (LMs). RLVE enables each verifiable environment to dynamically adapt its problem difficulty distribution to the policy model's capabilities as training progresses. In contrast, static data distributions often lead to vanishing learning signals when problems are either too easy or too hard for the policy. To implement RLVE, we create RLVE-Gym, a large-scale suite of 400 verifiable environments carefully developed through manual environment engineering. Using RLVE-Gym, we show that environment scaling, i.e., expanding the collection of training environments, consistently improves generalizable reasoning capabilities. RLVE with joint training across all 400 environments in RLVE-Gym yields a 3.37% absolute average improvement across six reasoning benchmarks, starting from one of the strongest 1.5B reasoning LMs. By comparison, continuing this LM's original RL training yields only a 0.49% average absolute gain despite using over 3x more compute. We release our code publicly.
Authors: Xingyu Ren, Youran Sun, Haoyu Liang
Abstract: We find that current sentence-embedding models produce outputs with a consistent bias: every embedding $e$ decomposes as $\tilde e + \mu$, where the mean $\mu$ is near-identical across all sentences. We study two training-free corrections -- subtracting $\mu$ directly (R1), or projecting each embedding off the mean direction (R2) -- and show, via a first-order error-propagation argument, that R2 cancels the parallel component of mean-estimation error that R1 retains. Across 38 models on the Massive Multilingual Text Embedding Benchmark (MMTEB)~\citep{MMTEB}, R2 yields consistent classification gains (paired $\bar t = 3.31$, 29 of 38 models with $t>2$, zero losses), and the per-model mean norm $\Vert\mu\Vert$ correlates with which models benefit most. A nine-method dose-response ablation on five models further reveals that mild single-direction removal helps, but full principal component analysis (PCA) whitening hurts every model we test, and that R2 and All-but-the-Top with depth one agree within $0.18$ pp downstream despite weak geometric alignment between $\hat\mu$ and the centered top principal component.
Authors: Weichuang Shao, Iman Yi Liao, Tomas Henrique Bode Maul, Tissa Chandesa
Abstract: Existing Test-time Adaptation (TTA) studies rely heavily on static and homogeneous corruption protocols, such as ImageNet-C and CIFAR-10-C/100-C, leading to inconsistent evaluation settings and potentially inflated robustness estimates that are compared with real-world situations. TTA lacks a standardized evaluation infrastructure capable of modeling realistic heterogeneous acoustic degradation. We introduce DHAuDS, a standardized benchmark suite for evaluating audio classification TTA robustness under dynamic corruption severity and heterogeneous noise mixtures. Rather than proposing a new TTA algorithm, DHAuDS focuses on exposing robustness limitations that remain hidden under conventional fixed-noise evaluation protocols.
Authors: Alexandre Rocchi, Thomas Fel, Gianni Franchi
Abstract: Two traditions of interpretability have evolved side by side but seldom spoken to each other: Concept Bottleneck Models (CBMs), which prescribe what a concept should be, and Sparse Autoencoders (SAEs), which discover what concepts emerge. While CBMs use supervision to align activations with human-labeled concepts, SAEs rely on sparse coding to uncover emergent ones. We show that both paradigms instantiate the same geometric structure: each learns a set of linear directions in activation space whose nonnegative combinations form a concept cone. Supervised and unsupervised methods thus differ not in kind but in how they select this cone. Building on this view, we propose an operational bridge between the two paradigms. CBMs provide human-defined reference geometries, while SAEs can be evaluated by how well their learned cones approximate or contain those of CBMs. This containment framework yields quantitative metrics linking inductive biases -- such as SAE type, sparsity, or expansion ratio -- to emergence of plausible\footnote{We adopt the terminology of \citet{jacovi2020towards}, who distinguish between faithful explanations (accurately reflecting model computations) and plausible explanations (aligning with human intuition and domain knowledge). CBM concepts are plausible by construction -- selected or annotated by humans -- though not necessarily faithful to the true latent factors that organise the data manifold.} concepts. Using these metrics, we uncover a ``sweet spot'' in both sparsity and expansion factor that maximizes both geometric and semantic alignment with CBM concepts. Overall, our work unifies supervised and unsupervised concept discovery through a shared geometric framework, providing principled metrics to measure SAE progress and assess how well discovered concept align with plausible human concepts.
Authors: Haoyang Li, Xuyi Zhuang, Azmat Adnan, Ye Ni, Wei Rao, Shreyas Gopal, Eng Siong Chng, Boon Siew Han, Yuanjin Zheng
Abstract: Language Model (LM)-based generative modeling has emerged as a promising direction for TSE, offering potential for improved generalization and high-fidelity speech. We propose GenTSE, a two-stage decoder-only generative LM for TSE: Stage-1 predicts coarse semantic tokens, and Stage-2 generates fine acoustic tokens. Separating semantics and acoustics stabilizes decoding and yields more accurate target speech. Both stages use continuous SSL or codec embeddings, offering richer context than discretized-prompt methods. To reduce exposure bias, we employ a Frozen-LM Conditioning training strategy that conditions the LMs on predicted tokens from earlier checkpoints to reduce the gap between teacher-forcing training and autoregressive inference. We further apply DPO to better align outputs with perceptual preferences. Experiments on Libri2Mix show that GenTSE surpasses previous LM-based systems in speech quality, intelligibility, and speaker consistency.
Authors: Ji Guo, Wenbo Jiang, Yansong Lin, Yijing Liu, Ruichen Zhang, Guomin Lu, Aiguo Chen, Xinshuo Han, Hongwei Li
Abstract: Vision-Language-Action (VLA) models are widely deployed in safety-critical embodied AI applications such as robotics. However, their complex multimodal interactions also expose new security vulnerabilities. In this paper, we investigate a backdoor threat in VLA models, where malicious inputs cause targeted misbehavior while preserving performance on clean data. Existing backdoor methods predominantly rely on inserting visible triggers into visual modality, which suffer from poor robustness and low insusceptibility in real-world settings due to environmental variability. To overcome these limitations, we introduce the State Backdoor, a novel and practical backdoor attack that leverages the robot arm's initial state as the trigger. To optimize trigger for insusceptibility and effectiveness, we design a Preference-guided Genetic Algorithm (PGA) that efficiently searches the state space for minimal yet potent triggers. Extensive experiments on five representative VLA models and five real-world tasks show that our method achieves over 90% attack success rate without affecting benign task performance, revealing an underexplored vulnerability in embodied AI systems.
Authors: Muhammad Jawad Mufti, Omar Hammad, MD. Mahfuzur Rahman
Abstract: Online consumer reviews are important decision-support resources in e-commerce, yet the increasing volume of reviews often creates information overload and makes it difficult for users to identify content that matches their individual preferences. Existing review-ranking approaches commonly rely on aggregate signals such as star ratings, helpfulness votes, or recency, which may not reflect user-specific interests. This paper proposes a personalized review ranking and summarization framework that integrates user preference modeling, hybrid sentiment estimation, aspect-level review matching, and Large Language Model (LLM)-based summarization. The framework first extracts aspect-level preferences and sentiment signals from historical reviews. It then incorporates user-selected product aspects and written review input to build a personalized user profile. Candidate reviews are ranked by comparing this profile with review-level aspect and sentiment representations. The top-ranked reviews are then summarized to provide concise, preference-aligned information. The proposed method was evaluated using an Amazon Mobile Electronics review dataset and a structured user study involving 70 participants across common consumer electronics categories. Results show that the proposed ranking method outperformed random ordering, star-rating-based ranking, helpfulness-vote ranking, recency-based ranking, and semantic-similarity-based ranking. User-study results further indicate improvements in satisfaction, perceived relevance, decision-making confidence, ease of finding information, and reading efficiency. The findings suggest that combining aspect-level personalization, sentiment-aware ranking, and LLM-based summarization can reduce review overload and support more efficient user-centered decision-making.
Authors: Aolin Xu
Abstract: This work aims to rigorously define the values of perception, prediction, communication, and common sense in decision making. The defined quantities are decision-theoretic, but have information-theoretic analogues, e.g., they share some simple but key mathematical properties with Shannon entropy and mutual information, and can reduce to these quantities in particular settings. One interesting observation is that, the value of perception without prediction can be negative, while the value of perception together with prediction and the value of prediction alone are always nonnegative. The defined quantities suggest answers to practical questions arising in the design of autonomous decision-making systems. Example questions include: Do we need to observe and predict the behavior of a particular agent? How important is it? What is the best order to observe and predict the agents? The defined quantities may also provide insights to cognitive science and neural science, toward the understanding of how natural decision makers make use of information gained from different sources and operations.
Authors: Luke S. Lagunowich, Guoxiang Grayson Tong, Daniele E. Schiavazzi
Abstract: Traditional filtering algorithms for state estimation -- such as classical Kalman filtering, unscented Kalman filtering, and particle filters -- show performance degradation when applied to nonlinear systems whose uncertainty follows arbitrary non-Gaussian, and potentially multi-modal distributions. This study reviews recent approaches to state estimation via nonlinear filtering based on conditional normalizing flows, where the conditional embedding is generated by standard MLP architectures, transformers or selective state-space models (like Mamba-SSM). In addition, we test the effectiveness of an optimal-transport-inspired kinetic loss term in mitigating overparameterization in flows consisting of a large collection of transformations. We investigate the performance of these approaches on applications relevant to autonomous driving and patient population dynamics, paying special attention to how they handle time inversion and chained predictions. Finally, we assess the performance of various conditioning strategies for an application to real-world COVID-19 joint SIR system forecasting and parameter estimation.
Authors: Yixuan Du, Chenxiao Yu, Haoyan Xu, Ziyi Wang, Yue Zhao, Xiyang Hu
Abstract: Vision-Language Models (VLMs) integrate visual and textual knowledge into unified representations that increasingly underpin modern retrieval and recommendation systems. However, it remains unclear how reliably these models utilize their cross-modal knowledge when ranking multimodal items, and whether their knowledge grounding can be subverted. In this paper, we expose a fundamental vulnerability in how VLMs apply multimodal knowledge for product ranking: through Multimodal Generative Engine Optimization (MGEO), we show that an adversary can manipulate a VLM's ranking decisions by jointly crafting imperceptible image perturbations and fluent textual suffixes that exploit the model's internal cross-modal knowledge coupling. Using an alternating optimization strategy, MGEO targets the deep interactions between visual and linguistic representations within the VLM, achieving rank manipulations that substantially exceed those of unimodal attacks and heuristic baselines powered by strong commercial models. Our findings reveal that surface-level content quality is insufficient for rank promotion; instead, direct alignment with the model's internal knowledge utilization mechanism is required. These results raise important questions on the faithfulness and robustness of knowledge grounding in multimodal foundation models, and motivate future work on defense mechanisms for multimodal retrieval systems. Code is available at: https://github.com/glad-lab/MGEO
Authors: Zanlin Ni, Shenzhi Wang, Yang Yue, Tianyu Yu, Weilin Zhao, Yeguo Hua, Tianyi Chen, Jun Song, Cheng Yu, Bo Zheng, Gao Huang
Abstract: Diffusion Large Language Models (dLLMs) break the rigid left-to-right constraint of traditional LLMs, enabling token generation in arbitrary orders. Intuitively, this flexibility implies a solution space that strictly supersets the fixed autoregressive trajectory, theoretically unlocking superior reasoning potential. However, in this paper, we find that for general reasoning tasks (e.g., mathematics and coding), arbitrary order generation may in fact limit the reasoning potential of dLLMs. We observe that dLLMs tend to exploit this order flexibility to bypass high-uncertainty tokens that are crucial for exploration, which can lead to a premature collapse of solution coverage. This observation motivates a rethink of RL approaches for dLLMs, where considerable complexities, such as handling combinatorial trajectories and intractable likelihoods, are often devoted to preserving this flexibility. We show that effective reasoning can be elicited by simply forgoing arbitrary order and applying standard Group Relative Policy Optimization (GRPO) instead. Our approach, JustGRPO, is minimalist yet surprisingly effective (e.g., 89.1% accuracy on GSM8K) while fully retaining the parallel decoding ability of dLLMs. Project page: https://nzl-thu.github.io/the-flexibility-trap
Authors: Pablo Messina, Andr\'es Villa, Juan Le\'on Alc\'azar, Karen S\'anchez, Carlos Hinojosa, Denis Parra, \'Alvaro Soto, Bernard Ghanem
Abstract: Medical vision-language models can automate the generation of radiology reports but struggle with accurate visual grounding and factual consistency. Existing models often misalign textual findings with visual evidence, leading to unreliable or weakly grounded predictions. We present CURE, an error-aware curriculum learning framework that improves grounding and report quality without any additional data. CURE fine-tunes a multimodal instructional model on phrase grounding, grounded report generation, and anatomy-grounded report generation using public datasets. The method dynamically adjusts sampling based on model performance, emphasizing harder samples to improve spatial and textual alignment. CURE improves grounding accuracy by +0.35 IoU, boosts report quality by +0.192 CXRFEScore, and reduces hallucinations by 18.6%. CURE is a data-efficient framework that enhances both grounding accuracy and report reliability. Code is available at https://github.com/PabloMessina/CURE and model weights at https://huggingface.co/pamessina/medgemma-4b-it-cure
URLs: https://github.com/PabloMessina/CURE, https://huggingface.co/pamessina/medgemma-4b-it-cure
Authors: Liping Tao, Xindi Tong, Chee Wei Tan
Abstract: Solving massive-scale optimization problems requires scalable first-order methods with low per-iteration cost. This tutorial highlights a shift in optimization: using differentiable programming not only to execute algorithms but to learn how to design them. Modern frameworks such as PyTorch, TensorFlow, and JAX enable this paradigm through efficient automatic differentiation. Embedding first-order methods within these systems allows end-to-end training that improves convergence and solution quality. Guided by Fenchel-Rockafellar duality, the tutorial demonstrates how duality-informed iterative schemes such as ADMM and PDHG can be learned and adapted. Case studies across LP, NNV, Sum-Rate maximization, OPF, and LRMP illustrate these gains.
Authors: Trung-Kiet Huynh, Dao-Sy Duy-Minh, Thanh-Bang Cao, Phong-Hao Le, Hong-Dan Nguyen, Phu-Quy Nguyen-Lam, Minh-Luan Nguyen-Vo, Hong-Phat Pham, Phu-Hoa Pham, Thien-Kim Than, Chi-Nguyen Tran, Huy Tran, Gia-Thoai Tran-Le, Alessio Buscemi, Le Hong Trang, The Anh Han
Abstract: Large language models (LLMs) are increasingly deployed as autonomous agents that negotiate, coordinate, and act on behalf of users. Whether they cooperate in such settings is no longer just an academic question, but a central issue for AI governance. We approach it from a strategic-behaviour angle, asking how two everyday levers - the size of what is at stake, and the language in which the interaction is described - shape the strategies LLMs adopt in a repeated Prisoner's Dilemma. Rather than reading cooperation off raw action counts, we train supervised classifiers to recognise the canonical strategies of repeated games (always cooperate, always defect, Tit-for-Tat, Win-Stay-Lose-Shift) and use them as a lens onto LLM behaviour. To know what the strategy distribution should look like under the same payoffs, we derive an evolutionary game theory (EGT) baseline and compare it with the LLM data. The two outcomes disagree in a revealing way: as stakes grow, evolutionary theory predicts that defection should take over the population, yet LLMs move in the opposite direction, becoming more cooperative - a signature, we argue, of alignment training and the human-like reasoning patterns LLMs inherit from their training data. We further show that this picture is not particular to frontier-scale, proprietary models: it also occurs with three open-weight smaller LLMs. Overall, our analysis highlights that payoff design and linguistic framing are powerful but under-explored levers for steering LLM behaviour, with direct implications for evaluating, aligning, and governing multi-agent AI systems deployed in high-stakes, multilingual environments.
Authors: Jianhui Chen, Yuzhang Luo, Liangming Pan
Abstract: While Mechanistic Interpretability has identified interpretable circuits in LLMs, their causal origins in training data remain elusive. We introduce Mechanistic Data Attribution (MDA), a scalable framework that employs Influence Functions to trace interpretable units back to specific training samples. Through extensive experiments on the Pythia family, we causally validate that targeted intervention--removing or augmenting a small fraction of high-influence samples--significantly modulates the emergence of interpretable heads, whereas random interventions show no effect. Our analysis reveals that repetitive structural data (e.g., LaTeX, XML) acts as a mechanistic catalyst. Furthermore, we observe that interventions targeting induction head formation induce a concurrent change in the model's in-context learning (ICL) capability. This provides direct causal evidence for the long-standing hypothesis regarding the functional link between induction heads and ICL. Finally, we propose a mechanistic data augmentation pipeline that consistently accelerates circuit convergence across model scales, providing a principled methodology for steering the developmental trajectories of LLMs.
Authors: George Webber, Alexander Denker, Riccardo Barbano, Andrew J Reader
Abstract: Flow-based generative models provide strong unconditional priors for inverse problems, but guiding their dynamics for conditional generation remains challenging. Recent work casts training-free conditional generation in flow models as an optimal control problem; however, solving the resulting trajectory optimisation is computationally and memory intensive, requiring differentiation through the flow dynamics or adjoint solves. We propose MPC-Flow, a model predictive control framework that formulates inverse problem solving with flow-based generative models as a sequence of control sub-problems, enabling practical optimal control-based guidance at inference time. We provide theoretical analysis linking MPC-Flow to the underlying optimal control objective and show how different algorithmic choices yield a spectrum of guidance algorithms, including regimes that avoid backpropagation through the generative model trajectory. We evaluate MPC-Flow on benchmark image restoration tasks, spanning linear and non-linear settings such as in-painting, deblurring, and super-resolution, and demonstrate strong performance and scalability to massive state-of-the-art architectures via training-free guidance of FLUX.2 (32B) in a quantised setting on consumer hardware.
Authors: Hongyang Du, Junjie Ye, Xiaoyan Cong, Runhao Li, Jingcheng Ni, Aman Agarwal, Zeqi Zhou, Zekun Li, Randall Balestriero, Yue Wang
Abstract: While recent video diffusion models (VDMs) produce visually impressive results, they fundamentally struggle to maintain 3D structural consistency, often resulting in object deformation or spatial drift. We hypothesize that these failures arise because standard denoising objectives lack explicit incentives for geometric coherence. To address this, we introduce VideoGPA (Video Geometric Preference Alignment), a data-efficient self-supervised framework that leverages a geometry foundation model to automatically derive dense preference signals that guide VDMs via Direct Preference Optimization (DPO). This approach effectively steers the generative distribution toward inherent 3D consistency without requiring human annotations. VideoGPA significantly enhances temporal stability, geometric plausibility, and motion coherence using minimal preference pairs, consistently outperforming state-of-the-art baselines in extensive experiments.
Authors: Tianyi Hu, Niket Tandon, Akhil Arora
Abstract: Existing retrieval-augmented generation (RAG) systems often assume that each query has a single correct answer. This assumption overlooks open-ended information-seeking scenarios where multiple plausible answers are valuable, and where diversity is important for creativity, fairness, and inclusive access to information. We show that standard RAG systems fail to fully use diverse retrieved contexts: simply increasing retrieval diversity does not necessarily lead to diverse generations. To address this limitation, we propose Diverge, a plug-and-play agentic RAG framework that improves the diversity--quality trade-off through iterative, reflection-guided exploration of diverse viewpoints and diversity-aware retrieval support. We further introduce evaluation metrics for characterizing the diversity-quality trade-off in open-ended question answering. Experiments across multiple real-world datasets and backbone LLMs show that Diverge achieves the best trade-off among competitive baselines, increasing diversity by $\sim2\times$ without noticeable quality degradation. These results reveal a systematic limitation of current RAGs and show the value of explicit diversity modeling.
Authors: Yakun Wang, Leyang Wang, Song Liu, Taiji Suzuki
Abstract: Flow-based methods have achieved significant success in various generative modeling tasks, capturing nuanced details within complex data distributions. However, few existing works have exploited this unique capability to resolve fine-grained structural details beyond generation tasks. This paper presents a flow-inspired framework for representation learning. First, we demonstrate that a rectified flow trained using independent coupling is zero everywhere at $t=0.5$ if and only if the source and target distributions are identical. We term this property the \emph{zero-flow criterion}. Second, we show that this criterion can certify conditional independence, thereby extracting \emph{sufficient information} from the data. Third, we translate this criterion into a tractable, simulation-free loss function that enables learning amortized Markov blankets in graphical models and latent representations in self-supervised learning tasks. Experiments on both simulated and real-world datasets demonstrate the effectiveness of our approach. The code reproducing our experiments can be found at: https://github.com/probabilityFLOW/zfe.
Authors: Filip Kova\v{c}evi\'c, Hong Chang Ji, Denny Wu, Mahdi Soltanolkotabi, Marco Mondelli
Abstract: It is folklore that reusing training data more than once can improve the statistical efficiency of gradient-based learning. While this phenomenon has been extensively studied in linear regression, the benefit of multi-pass gradient descent (GD, which reuses all the data) over one-pass stochastic gradient descent (online SGD, which uses each data point only once) is not well-understood in nonlinear and non-convex settings, except for a loss modification mechanism achieved by the first two passes on the data. In this work, we consider learning a $d$-dimensional single-index model with a quadratic activation, for which it is known that one-pass SGD requires $n\gtrsim d\log d$ samples to achieve weak recovery. We first show that this $\log d$ factor in the sample complexity persists for full-batch spherical GD on the correlation loss; however, by simply truncating the activation, full-batch GD exhibits a favorable optimization landscape at $n \simeq d$ samples, thereby outperforming one-pass SGD (with the same activation) in statistical efficiency. We complement this result with a trajectory analysis of full-batch GD on the squared loss from small initialization, showing that $n \gtrsim d$ samples and $T \gtrsim\log d$ gradient steps suffice to achieve strong (exact) recovery.
Authors: Yu Cheng, Yongkang Hu, Jiuan Zhou, Yushuo Zhang, Yihang Chen, Huichi Zhou, Mingang Chen, Zhizhong Zhang, Kun Shao, Yuan Xie, Zhaoxia Yin
Abstract: Test-time evolution of agent memory represents a pivotal paradigm for advancing AGI, as it strengthens complex reasoning through experience accumulation without requiring parameter updates. However, even during benign task evolution, agent safety alignment remains vulnerable, a phenomenon known as Agent Memory Misevolution. To evaluate this phenomenon, we construct the Trust-Memevo benchmark and find that agents exhibit an overall decline in trustworthiness across multiple tasks during benign task evolution. To address this issue, we propose TAME, a trust-aware memory evolution framework in which a shared memory bank is jointly governed by an Executor and an Evaluator. The Executor retrieves and applies transferable experiences to support task solving, while the Evaluator assesses the contribution of each utilized experience to the outcome and produces trust-aware feedback to guide subsequent memory use. This executor-evaluator loop enables memory to be selectively reinforced, cautiously reused, and continuously expanded over time. Experiments show that TAME mitigates memory misevolution while achieving strong task performance. In particular, on the GPT-5.2 AIME benchmark, TAME improves accuracy by 14.6 percentage points over the strongest existing method and maintains competitive trustworthiness.
Authors: Pierre Agui\'e, Mathieu Even, Laurent Massouli\'e
Abstract: We analyze the Accelerated Noisy Power Method, an algorithm for Principal Component Analysis in the setting where only inexact matrix-vector products are available, which can arise for instance in decentralized PCA. While previous works have established that acceleration can improve convergence rates compared to the standard Noisy Power Method, these guarantees require overly restrictive upper bounds on the magnitude of the perturbations, limiting their practical applicability. We provide an improved analysis of this algorithm, which preserves the accelerated convergence rate under much milder conditions on the perturbations. We show that our new analysis is worst-case optimal, in the sense that the convergence rate cannot be improved, and that the noise conditions we derive cannot be relaxed without sacrificing convergence guarantees. We demonstrate the practical relevance of our results by deriving an accelerated algorithm for decentralized PCA, which has similar communication costs to non-accelerated methods. To our knowledge, this is the first decentralized algorithm for PCA with provably accelerated convergence.
Authors: Julian Rodemann, Unai Fischer-Abaigar, James Bailie, Krikamol Muandet
Abstract: Performative predictions influence the very outcomes they aim to forecast. We study performative predictions that affect a sample (e.g., only existing users of an app) and/or the whole population (e.g., all potential app users). This raises the question of how well models generalize under performativity. For example, how well can we draw insights about new app users based on existing users when both of them react to the app's predictions? We address this question by embedding performative predictions into statistical learning theory. We prove generalization bounds under performative effects on the sample, on the population, and on both. A key intuition behind our proofs is that in the worst case, the population negates predictions, while the sample deceptively fulfills them. We cast such self-negating and self-fulfilling predictions as min-max and min-min risk functionals in Wasserstein space, respectively. Our analysis reveals a fundamental trade-off between performatively changing the world and learning from it: the more a model affects data, the less it can learn from it. Moreover, our analysis results in a surprising insight on how to improve generalization guarantees by retraining on performatively distorted samples. We illustrate our bounds in a case study on prediction-informed assignments of unemployed German residents to job trainings, drawing upon administrative labor market records from 1975 to 2017 in Germany.
Authors: Hengrui Luo, Anna Ma, Ludovic Stephan, Yizhe Zhu
Abstract: We introduce Wedge Sampling, a new non-adaptive sampling scheme for low-rank tensor completion. We study recovery of an order-$k$ low-rank tensor of dimension $n \times \cdots \times n$ from a subset of its entries. Unlike the standard uniform entry model (i.e., i.i.d. samples from $[n]^k$), wedge sampling allocates observations to structured length-two patterns (wedges) in an associated bipartite sampling graph. By directly promoting these length-two connections, the sampling design strengthens the spectral signal that underlies efficient initialization, in regimes where uniform sampling is too sparse to generate enough informative correlations. Our main result shows that this change in sampling paradigm enables polynomial-time algorithms to achieve both weak and exact recovery with nearly linear sample complexity in $n$. The approach is also plug-and-play: wedge-sampling-based spectral initialization can be combined with existing refinement procedures (e.g., spectral or gradient-based methods) using only an additional $\tilde{O}(n)$ uniformly sampled entries, substantially improving over the $\tilde{O}(n^{k/2})$ sample complexity typically required under uniform entry sampling for efficient methods. Overall, our results suggest that the statistical-to-computational gap highlighted in Barak and Moitra (2022) is, to a large extent, a consequence of the uniform entry sampling model for tensor completion, and that alternative non-adaptive measurement designs that guarantee a strong initialization can overcome this barrier.
Authors: Lichen Bai, Zikai Zhou, Shitong Shao, Wenliang Zhong, Shuo Yang, Shuo Chen, Bojun Chen, Zeke Xie
Abstract: Distribution Matching Distillation (DMD) is a powerful acceleration paradigm, yet its stability is often compromised in Forbidden Zone, regions where the real teacher provides unreliable guidance while the fake teacher exerts insufficient repulsive force. In this work, we propose a unified optimization framework that reinterprets prior art as implicit strategies to avoid these corrupted regions. Based on this insight, we introduce Adaptive Matching Distillation (AMD), a self-correcting mechanism that utilizes reward proxies to explicitly detect and escape Forbidden Zones. AMD dynamically prioritizes corrective gradients via structural signal decomposition and introduces Repulsive Landscape Sharpening to enforce steep energy barriers against failure mode collapse. Extensive experiments across image and video generation tasks (e.g., SDXL, Wan2.1) and rigorous benchmarks (e.g., VBench, GenEval) demonstrate that AMD significantly enhances sample fidelity and training robustness. For instance, AMD improves the HPSv2 score on SDXL from 30.64 to 31.25, outperforming state-of-the-art baselines. These findings validate that explicitly rectifying optimization trajectories within Forbidden Zones is essential for pushing the performance ceiling of few-step generative models.
Authors: Abu Masum, Mehran Moghadam, M. Hassan Najafi, Bige Unluturk, Ulkuhan Guler, Beth A. Beidleman, Sercan Aygun
Abstract: Objective: Acute mountain sickness (AMS) is the most prevalent altitude illness, affecting unacclimatized individuals ascending above 2,500 m and potentially escalating to life threatening cerebral or pulmonary edema. Conventional machine learning (ML) methods for AMS detection from wearable physiological signals often fail to meet real-time hardware efficiency requirements of continuous monitoring. Methods: We present AMS-HD, the first hyperdimensional computing (HDC)-based framework for real-time AMS detection, spanning high-level bipolar (-1/+1) computing for mobile platforms and low-level binary (0/1) computing for FPGA and ASIC targets. The framework integrates mutual information feature selection, hypervector encoding, and positional projection to enhance classification efficiency. Validation spans ARM, FPGA, and smartwatch-smartphone platforms using wearable-accessible SpO2 and heart rate signals. Results: AMS-HD matches or outperforms SVM and MLP baselines in both binary and multiclass classification, achieving up to 91% accuracy and 90% F1-score in binary classification, and up to 85% accuracy on external AMS-related datasets. On FPGA, AMS-HD reduces LUT and flip-flop usage by 7.3x and 5.8x, while consuming 3.9x less power than MLP. On mobile platforms, AMS-HD requires only 1% battery per session, 60 Bytes of memory, and 2.50 ms inference time -- approximately 2x and more than 3x lower energy consumption than SVM and MLP. Conclusion: AMS-HD provides a scalable, hardware-aware alternative to conventional ML for real-time AMS monitoring, achieving competitive performance with substantially lower resource consumption. Significance: This work presents the first complete HDC framework for altitude sickness detection, bridging wearable inference and low-level hardware deployment for resource-constrained health monitoring.
Authors: Rahin Arefin Ahmed, Md. Anik Chowdhury, Sakil Ahmed Sheikh Reza, Devnil Bhattacharjee, Muhammad Abdullah Adnan, Julian McAuley, Nafis Sadeq
Abstract: Personalized book recommendation in Bangla literature has been constrained by the lack of structured, large-scale, and publicly available datasets. This work introduces RokomariBG, a large-scale heterogeneous book graph dataset designed to support research on personalized recommendation in a low-resource language setting. The dataset comprises 127,302 books, 63,723 users, 16,601 authors, 1,515 categories, 2,757 publishers, and 209,602 reviews, connected through several relation types and organized as a comprehensive knowledge graph. To demonstrate the utility of the dataset, we present a systematic benchmarking study on the top-N recommendation and sequential recommendation tasks, evaluating a diverse set of representative recommendation models. Through comprehensive benchmarking, we demonstrate that recommendation performance in this domain is strongly influenced by both heterogeneous relational information and code-mixed textual metadata. These findings reveal unique challenges of Bangladeshi e-commerce ecosystems that are largely absent from existing recommendation benchmarks. Overall, this work establishes a foundational benchmark and a publicly available resource for Bangla book recommendation research, enabling reproducible evaluation and future studies on recommendation in low-resource cultural domains. The dataset and code are publicly available at https://github.com/backlashblitz/Bangla-Book-Recommendation-Dataset
URLs: https://github.com/backlashblitz/Bangla-Book-Recommendation-Dataset
Authors: Hongyu Chen, David Simchi-Levi, Ruoxuan Xiong
Abstract: Estimating population quantities such as mean outcomes from user feedback is fundamental to platform evaluation and social science, yet feedback is often missing not at random (MNAR): users with stronger opinions are more likely to respond, so standard estimators are biased and the estimand is not identified without additional assumptions. Existing approaches typically rely on strong parametric assumptions or bespoke auxiliary variables that may be unavailable in practice. In this paper, we develop a partial identification framework in which sharp bounds on the estimand are obtained by solving a pair of linear programs whose constraints encode the observed data structure. This formulation naturally incorporates outcome predictions from pretrained models, including large language models (LLMs), as additional linear constraints that tighten the feasible set. We call these predictions weak shadow variables: they satisfy a conditional independence assumption with respect to missingness but need not meet the completeness conditions required by classical shadow-variable methods. When predictions are sufficiently informative, the bounds collapse to a point, recovering standard identification as a special case. In finite samples, to provide valid coverage of the identified set, we propose a set-expansion estimator that achieves slower-than-$\sqrt{n}$ convergence rate in the set-identified regime and the standard $\sqrt{n}$ rate under point identification. In simulations and semi-synthetic experiments on customer-service dialogues, we find that LLM predictions are often ill-conditioned for classical shadow-variable methods yet remain highly effective in our framework. They shrink identification intervals by 75--83\% while maintaining valid coverage under realistic MNAR mechanisms.
Authors: Nivya Talokar, Ayush K Tarun, Murari Mandal, Maksym Andriushchenko, Antoine Bosselut
Abstract: LLM-based agents execute real-world workflows via tools and memory. These affordances enable ill-intended adversaries to also use these agents to carry out complex misuse scenarios. Existing agent misuse benchmarks largely test single-prompt instructions, leaving a gap in measuring how agents end up helping with harmful or illegal tasks over multiple turns. We introduce STING (Sequential Testing of Illicit N-step Goal execution), an automated red-teaming framework that constructs a step-by-step illicit plan grounded in a benign persona and iteratively probes a target agent with adaptive follow-ups, using judge agents to track phase completion. We further introduce an analysis framework that models multi-turn red-teaming as a time-to-first-jailbreak random variable, enabling analysis tools like discovery curves, hazard-ratio attribution by attack language, and a new metric: Restricted Mean Jailbreak Discovery. Across AgentHarm scenarios, STING yields substantially higher illicit-task completion than single-turn prompting and chat-oriented multi-turn baselines adapted to tool-using agents. In multilingual evaluations across six non-English settings, we find that attack success and illicit-task completion do not consistently increase in lower-resource languages, diverging from common chatbot findings. Overall, STING provides a practical way to evaluate and stress-test agent misuse in realistic deployment settings, where interactions are inherently multi-turn and often multilingual.
Authors: Sreejith Sreekumar, Nir Weinberger
Abstract: Maximum likelihood prediction (MLP) is a core task at the heart of modern large language models. Here, we study a quantum version of this task for a simplified data model consisting of independent and identically distributed samples, as a first step. The quantum maximum likelihood predictor is obtained by embedding of empirical probability distributions into quantum states and performing a minimization of quantum relative entropy over a given class of states. We provide an interpretation of this predictor in terms of quantum reverse information projection and quantum Pythagorean theorem when the class of quantum models is sufficiently expressive. We further derive non-asymptotic performance guarantees in terms of convergence rates and concentration inequalities, both in trace norm and quantum relative entropy. Our approach provides a unified framework to handle MLP within both classical and quantum LLMs.
Authors: Yifan Niu, Han Xiao, Dongyi Liu, Wei Zhou, Jia Li
Abstract: Scaling long-context capabilities is crucial for Large Language Models (LLMs). However, real-world data contain a large number of sequences with heterogeneous lengths. Existing training libraries for LLMs rely on static parallelism strategies, which suffer from severe load imbalance, redundant communication, and suboptimal hardware utilization under data heterogeneity. In this work, we propose Flexible Context Parallelism (FCP), an efficient parallelism strategy that adaptively reconfigures communication groups and context parallelism degrees during LLM training. We generalize more flexible non-power-of-two parallelism degrees and develop a polynomial-time algorithm to generate near-optimal parallelism strategies with only millisecond-level overhead per training batch. FCP is able to maintain high hardware efficiency even under extreme data heterogeneity. Experimental results demonstrate that FCP significantly outperforms Megatron-LM and DeepSpeed in both LLM and MLLM training, achieving up to 1.46x speedup in average throughput while maintaining near-linear scaling efficiency across large-scale clusters. For extremely unbalanced batches, FCP even achieves 2.24x speedup.
Authors: Otto Nyberg, Fausto Carcassi, Davide Tugnoli, Giovanni Cin\`a
Abstract: Predictions from ML models support human decision making in several fields, including high-stakes ones such as healthcare and the judiciary. Yet, we still lack a clear understanding of how decision makers learn from ML-based decision support (ML-DS). In this paper, we introduce a general computational framework, the 2-Step Agent, to capture this process. As a prediction from an ML model contains information about the training data, a prediction can also be used for inference. Our framework models (i) how a prediction for a new observation affects the beliefs of a rational Bayesian agent, and (ii) how this change in beliefs affects the estimation of causal effect, the downstream decision, and the subsequent outcome. In addition to the framework itself, we make three contributions. First, for the linear Gaussian setting, we derive a tractable solution for the challenging Bayesian inference problem we introduced, i.e. one in which the agent infers from an ML prediction. Second, we experimentally identify conditions under which ML-DS is beneficial. Third, we show that a single misaligned prior belief can be sufficient for ML-DS to lead to worse downstream outcomes compared to no decision support even when the ML model is well-specified and the agent is perfectly rational. Hence, even under ideal conditions, ML-DS can do more harm than good.
Authors: Evangelia Christakopoulou, Vivekkumar Patel, Hemanth Velaga, Sandip Gaikwad, Sean Suchter, Venkat Sundaranatha
Abstract: Large-scale commercial search systems optimize for relevance to drive successful sessions that help users find what they are looking for. To maximize relevance, we leverage two complementary objectives: behavioral relevance (results users tend to click or download) and textual relevance (a result's semantic fit to the query). A persistent challenge is the scarcity of expert-provided textual relevance labels relative to abundant behavioral relevance labels. We first address this by systematically evaluating LLM configurations, finding that a specialized, fine-tuned model significantly outperforms a much larger pre-trained one in providing highly relevant labels. Using this optimal model as a force multiplier, we generate millions of textual relevance labels to overcome the data scarcity. We show that augmenting our production ranker with these textual relevance labels leads to a significant outward shift of the Pareto frontier: offline NDCG improves for behavioral relevance while simultaneously increasing for textual relevance. These offline gains were validated by a worldwide A/B test on the App Store ranker, which demonstrated a statistically significant +0.24% increase in conversion rate, with the most substantial performance gains occurring in tail queries, where the new textual relevance labels provide a robust signal in the absence of reliable behavioral relevance labels.
Authors: Alex Thillen, Niels M\"undler, Veselin Raychev, Martin Vechev
Abstract: LLM coding agents can generate working code, but their solutions often accumulate complexity, duplication, and architectural debt. Human developers address such issues through refactoring: behavior-preserving program transformations that improve structure and maintainability. We investigate whether agents (i) can execute refactorings reliably and (ii) identify the refactorings that human developers actually chose in real codebases. To this end, we construct CodeTaste, a benchmark mined from large multi-file open-source refactorings. To score solutions, we combine repository test suites that measure functional correctness with tailored static checks that verify removal of undesired and introduction of desired code patterns using dataflow reasoning. Our results show a clear gap: agents perform well at implementing refactorings that are specified in detail, but often fail to discover the human refactoring choices when given a focus area for changes. A propose-then-implement decomposition improves alignment, and selecting the best-aligned proposal before implementation can yield further gains. CodeTaste provides an evaluation target and a potential preference signal for aligning coding agents with human refactoring decisions in realistic codebases. We release the benchmark, leaderboard, and code.
Authors: Guangya Cai
Abstract: Fair top-$k$ selection, which ensures appropriate proportional representation of members from minority or historically disadvantaged groups among the top-$k$ selected candidates, has drawn significant attention. We study the problem of finding a fair (linear) scoring function with multiple protected groups while also minimizing the disparity from a reference scoring function. This generalizes the prior setup, which was restricted to the single-group setting without disparity minimization. Previous studies imply that the number of protected groups may have a limited impact on the runtime efficiency. However, driven by the need for experimental exploration, we find that this implication overlooks a critical issue that may affect the fairness of the outcome. Once this issue is properly considered, our hardness analysis shows that the problem may become computationally intractable even for a two-dimensional dataset and small values of $k$. However, our analysis also reveals a gap in the hardness barrier, enabling us to recover the efficiency for the case of small $k$ when the number of protected groups is sufficiently small. Furthermore, beyond measuring disparity as the "distance" between the fair and the reference scoring functions, we introduce an alternative disparity measure$\unicode{x2014}$utility loss$\unicode{x2014}$that may yield a more stable scoring function under small weight perturbations. Through careful engineering trade-offs that balance implementation complexity, robustness, and performance, our augmented two-pronged solution demonstrates strong empirical performance on real-world datasets, with experimental observations also informing algorithm design and implementation decisions.
Authors: Kenan Li, Rongzhi Li, Linghao Zhang, Qirui Jin, Liao Zhu, Xiaosong Huang, Geng Zhang, Yikai Zhang, Shilin He, Chengxing Xie, Xin Zhang, Zijian Jin, Bowen Li, Chaoyun Zhang, Yu Kang, Yufan Huang, Elsie Nallipogu, Saravan Rajmohan, Qingwei Lin, Dongmei Zhang
Abstract: Language model (LM) agents have driven substantial progress in automated software engineering (SWE), yet building and testing software repositories at scale remains a largely manual and labor-intensive bottleneck. In this work, we introduce RepoLaunch, a novel agentic framework that automatically resolves dependencies, compiles source code, and extracts test results across diverse programming languages and operating systems. RepoLaunch achieves a 78% build success rate, outperforming the Python/Linux-only prior system by 18%. To demonstrate its application, we further present a fully automated pipeline for SWE dataset creation driven by RepoLaunch, which only requires human input at the task-design stage. RepoLaunch is open-sourced, and its automated task-generation pipeline has already been adopted by several recent works on agentic benchmarking and training.
Authors: Guoli Wang, Haonan Shi, Tu Ouyang, An Wang
Abstract: Large language models (LLMs) often require fine-tuning (FT) to perform well on downstream tasks, but FT can induce safety-alignment drift even when the training dataset contains only benign data. Prior work shows that introducing a small fraction of harmful data can substantially compromise LLM refusal behavior, causing LLMs to comply with harmful requests. Existing defense methods often rely on model-wide interventions, such as restricting which parameters are updated or injecting additional safety data, which can limit generality and degrade downstream task performance. To address these limitations, we propose a fine-tuning framework called Preserving Safety Alignment via Constrained Tokens (PACT), which stabilizes the model's confidence on safety tokens. Our approach is motivated by the empirical observation that safety-aligned behavior is reflected in the model's token-level output confidence and is often concentrated on a small subset of safety-related tokens. During downstream fine-tuning, we regularize the fine-tuned model to match the aligned reference model's confidence on safety-related tokens at each response step, while leaving non-safety tokens largely unconstrained to allow effective task adaptation. This targeted constraint prevents alignment drift without imposing global restrictions that typically trade off with model utility. Our code is available at {https://github.com/Glresearch1/PACT}.
Authors: Xiaofeng Lin, Seungbae Kim, Zhuoya Li, Zachary DeSoto, Charles Fleming, Guang Cheng
Abstract: Deep generative models can help with data scarcity and privacy by producing synthetic training data, but they struggle in low-data, imbalanced tabular settings to fully learn the complex data distribution. We argue that striving for the full joint distribution could be overkill; for greater data efficiency, models should prioritize learning the conditional distribution $P(y\mid \bm{X})$, as suggested by recent theoretical analysis. Therefore, we overcome this limitation with \textbf{ReTabSyn}, a \textbf{Re}inforced \textbf{Tab}ular \textbf{Syn}thesis pipeline that provides direct feedback on feature correlation preservation during synthesizer training. This objective encourages the generator to prioritize the most useful predictive signals when training data is limited, thereby strengthening downstream model utility. We empirically fine-tune a language model-based generator using this approach, and across benchmarks with small sample sizes, class imbalance, and distribution shift, ReTabSyn consistently outperforms state-of-the-art baselines. Moreover, our approach can be readily extended to control various aspects of synthetic tabular data, such as applying expert-specified constraints on generated observations.
Authors: V. S. Maduri, K. B. Nakshatrala
Abstract: Accurate modeling of gas flow through porous media is critical for many technological applications, including reservoir performance prediction, carbon capture and sequestration, and fuel cells and batteries. However, such modeling remains challenging due to strong nonlinear behavior and uncertainty in model parameters. In particular, gas slippage effects described by the Klinkenberg model introduce pressure-dependent permeability, which complicates numerical simulation and obscures deviations from classical Darcy flow behavior. To address these challenges, we present an integrated modeling framework for gas transport in porous media that combines a Klinkenberg-enhanced constitutive relation, Hopf-Cole-transformed mixed-form linear governing equations, a shared-trunk neural network architecture, and a Deep Least-Squares (DeepLS) solver. The Hopf-Cole transformation reformulates the original nonlinear flow equations into an equivalent linear system closely related to the Darcy model, while the mixed formulation, together with a shared-trunk neural architecture, enables simultaneous and accurate prediction of both pressure and velocity fields. A rigorous convergence analysis is performed both theoretically and numerically, establishing the stability and convergence properties of the proposed solver. Importantly, the proposed framework also naturally facilitates inverse modeling of pressure-dependent permeability and slippage parameters from limited or indirect observations, enabling efficient estimation of flow properties that are difficult to measure experimentally. Numerical results demonstrate accurate recovery of flow dynamics and parameters across a wide range of pressure regimes, highlighting the framework's robustness, accuracy, and computational efficiency for gas transport modeling and inversion in tight formations.
Authors: Margarita Belova, Yuval Kansal, Yihao Liang, Jiaxin Xiao, Niraj K. Jha
Abstract: The generative artificial intelligence (AI) ecosystem is undergoing rapid transformations that threaten its sustainability. As models transition from research prototypes to high-traffic products, the energetic burden has shifted from one-time training to recurring, unbounded inference. This is exacerbated by reasoning models that inflate compute costs by orders of magnitude per query. The prevailing pursuit of artificial general intelligence through scaling of monolithic models is colliding with hard physical constraints: grid failures, water consumption, and diminishing returns on data scaling. This trajectory yields models with impressive factual recall but struggles in domains requiring in-depth reasoning, possibly due to insufficient abstractions in training data. Current large language models (LLMs) exhibit genuine reasoning depth only in domains like mathematics and coding, where rigorous, pre-existing abstractions provide structural grounding. In other fields, the current approach fails to generalize well. We propose an alternative trajectory based on domain-specific superintelligence (DSS). We argue for first constructing explicit symbolic abstractions (knowledge graphs, ontologies, and formal logic) to underpin synthetic curricula enabling small language models to master domain-specific reasoning without the model collapse problem typical of LLM-based synthetic data methods. Rather than a single generalist giant model, we envision "societies of DSS models": dynamic ecosystems where orchestration agents route tasks to distinct DSS back-ends. This paradigm shift decouples capability from size, enabling intelligence to migrate from energy-intensive data centers to secure, on-device experts. By aligning algorithmic progress with physical constraints, DSS societies move generative AI from an environmental liability to a sustainable force for economic empowerment.
Authors: Haoyuan Sun, Ali Jadbabaie
Abstract: We study supervisory switching control for partially-observed linear dynamical systems. The objective is to identify and deploy a suitable controller for the unknown system by periodically selecting among a collection of $N$ candidate controllers, some of which may destabilize the underlying system. While classical estimator-based supervisory control guarantees asymptotic stability, it lacks quantitative finite-time performance bounds. Conversely, current non-asymptotic methods in both online learning and system identification require restrictive assumptions that are incompatible in a control setting, such as system stability, which preclude testing potentially unstable controllers. To bridge this gap, we propose a novel, non-asymptotic analysis of supervisory control that adapts multi-armed bandit algorithms to a control-theoretic setting. The proposed data-driven algorithm evaluates candidate controllers via scoring criteria that leverage system observability to isolate the effects of state history, enabling both detection of destabilizing controllers and accurate system identification. We present two algorithmic variants with dimension-free, finite-time guarantees, where each identifies the matching controller in $O(N \log^2 N)$ steps, while simultaneously achieving finite $L_2$-gain with respect to system disturbances.
Authors: Hector Borobia, Elies Segu\'i-Mas, Guillermina Tormo-Carb\'o
Abstract: Hybrid language models combine softmax attention with linear-time sequence mechanisms such as state-space or linear-attention layers, but the functional contribution of each component type remains insufficiently characterized. We study component-level ablation in two sub-1B hybrid language models, Qwen3.5-0.8B and Falcon-H1-0.5B, using likelihood-based evaluation, downstream benchmarks, layer-wise interventions, random controls, and representation-level diagnostics. Across the tested models, removing either attention or the alternative sequence-processing pathway substantially degrades performance, indicating that both component types contribute to model behavior. Likelihood metrics are especially sensitive to the linear-attention or state-space pathway, while downstream benchmark degradation depends on task and architecture. Layer-wise ablations show that component importance is position-dependent, with the strongest effects concentrated in early or mid-network components rather than uniformly across depth. Random-removal controls further show that hybrid architectures and same-family Transformer baselines degrade differently under structural perturbation. These results suggest that component ablation is a useful diagnostic for understanding hybrid language model architectures. The findings provide evidence relevant to efficient model design, compression, robustness analysis, and deployment decisions in architectures that combine attention with alternative sequence-processing mechanisms.
Authors: Pranay Tummalapalli, Sahil Arayakandy, Ritam Pal, Kautuk Kundan
Abstract: Deploying large language models on-device for always-on personal agents demands sustained inference from hardware tightly constrained in power, thermal envelope, and memory. We benchmark Qwen 2.5 1.5B (4-bit quantised) across four platforms: a Raspberry Pi 5 with Hailo-10H NPU, a Samsung Galaxy S24 Ultra, an iPhone 16 Pro, and a laptop NVIDIA RTX 4050 GPU. Using a fixed 258-token prompt over 20 warm-condition iterations per device, we measure throughput, latency, power, and thermal behaviour. For mobile platforms, thermal management supersedes peak compute as the primary constraint: the iPhone 16 Pro loses nearly half its throughput within two iterations, and the S24 Ultra suffers a hard OS-enforced GPU frequency floor that terminates inference entirely. On dedicated hardware, distinct constraints dominate: the RTX 4050 is bounded by its battery power ceiling, while the Hailo-10H is limited by on-module memory bandwidth. The RTX 4050 sustains 131.7 tok/s at 34.1 W; the Hailo-10H sustains 6.9 tok/s at under 2 W with near-zero variance, matching the RTX 4050 in energy proportionality at 19x lower throughput. Results should be interpreted as platform-level deployment characterisations for a single model and prompt type, reflecting hardware and software combined, rather than general claims about hardware capability alone.
Authors: Oluseyi Olukola, Nick Rahimi
Abstract: Intelligent tutoring systems increasingly rely on reinforcement learning to personalise instruction, yet optimising for observable engagement signals can systematically decouple learner activity from genuine knowledge acquisition. Analysing over 21 million student interactions across two deployed platforms, we find engagement events without corresponding mastery gains occur in 26.5% of interactions on Junyi Academy (72,758 students) and 3.1% on XES3G5M (14,453 students, NeurIPS 2023), confirming this pattern is directly observable in deployed educational technology at scale. We introduce Mastery-Conditioned Constrained Policy Optimisation (MC-CPO), a reinforcement learning framework that addresses this problem structurally. MC-CPO conditions the admissible instructional action space on learner mastery state: a concept becomes available only when prerequisite knowledge meets a mastery threshold, yielding an action space that expands naturally as learners acquire knowledge. Pedagogical safety constraints are enforced by construction, with formal guarantees of structural prerequisite safety, primal-dual convergence, and strict dominance over post-hoc filtering. MC-CPO is the only method to reduce reward hacking severity across all conditions. Mean per-episode mastery gain increases by 18.3% on Junyi Academy and 54.0% on XES3G5M relative to all baselines, while competitive engagement performance is maintained. These results support structural constraint modelling as a principled foundation for safer adaptive instructional policies in deployed tutoring systems.
Authors: Jaehyeok Lee, Xiaoyuan Yi, Jing Yao, Hyunjin Hwang, Roy Ka-Wei Lee, Xing Xie, JinYeong Bak
Abstract: As LLMs are globally deployed, aligning their cultural value orientations is critical for safety and user engagement. However, existing benchmarks face the Construct-Composition-Context ($C^3$) challenge: relying on discriminative, multiple-choice formats that probe value knowledge rather than true orientations, overlook subcultural heterogeneity, and mismatch with real-world open-ended generation. We introduce DOVE, a distributional evaluation framework that directly compares human-written text distributions with LLM-generated outputs. DOVE utilizes a rate-distortion variational optimization objective to construct a compact value codebook from 10K documents, mapping text into a structured value space to filter semantic noise. Alignment is measured using unbalanced optimal transport, capturing intra-cultural distributional structures and subgroup diversity. Experiments across 12 LLMs show that DOVE achieves superior predictive validity, attaining a 31.56% correlation with downstream tasks, while maintaining high reliability with as few as 500 samples per culture.
Authors: Tom Devynck, Bilal Faye, Djamel Bouchaffra, Nadjib Lazaar, Hanane Azzag, Mustapha Lebbah
Abstract: Deep convolutional neural networks achieve remarkable performance by exhaustively processing dense spatial feature maps, yet this brute-force strategy introduces significant computational redundancy and encourages reliance on spurious background correlations. As a result, modern vision models remain brittle and difficult to interpret. We propose Energy-Regularized Spatial Masking (ERSM), a novel framework that reformulates feature selection as a differentiable energy minimization problem. By embedding a lightweight Energy-Mask Layer inside standard convolutional backbones, each visual token is assigned a scalar energy composed of two competing forces: an intrinsic Unary importance cost and a Pairwise spatial coherence penalty. Unlike prior pruning methods that enforce rigid sparsity budgets or rely on heuristic importance scores, ERSM allows the network to autonomously discover an optimal information-density equilibrium tailored to each input. We validate ERSM on convolutional architectures and demonstrate that it produces emergent sparsity, improved robustness to structured occlusion, and highly interpretable spatial masks, while preserving classification accuracy. Furthermore, we show that the learned energy ranking significantly outperforms magnitude-based pruning in deletion-based robustness tests, revealing ERSM as an intrinsic denoising mechanism that isolates semantic object regions without pixel-level supervision.
Authors: Wenjing Wei, Farid Nait-Abdesselam, Alla Jammine
Abstract: This article presents DDP-SA, a scalable privacy-preserving federated learning framework that jointly leverages client-side local differential privacy (LDP) and full-threshold additive secret sharing (ASS) for secure aggregation. Unlike existing methods that rely solely on differential privacy or on secure multi-party computation (MPC), DDP-SA integrates both techniques to deliver stronger end-to-end privacy guarantees while remaining computationally practical. The framework introduces a two-stage protection mechanism: clients first perturb their local gradients with calibrated Laplace noise, then decompose the noisy gradients into additive secret shares that are distributed across multiple intermediate servers. This design ensures that (i) no single compromised server or communication channel can reveal any information about individual client updates, and (ii) the parameter server reconstructs only the aggregated noisy gradient, never any client-specific contribution. Extensive experiments show that DDP-SA achieves substantially higher model accuracy than standalone LDP while providing stronger privacy protection than MPC-only approaches. The proposed framework scales linearly with the number of participants and offers a practical, privacy-preserving solution for federated learning applications with controllable computational and communication overhead.
Authors: Pablo Mercader-Perez, Carolina Cuesta-Lazaro, Daniel Muthukrishna, Jeroen Audenaert, V. Ashley Villar, David W. Hogg, Marc Huertas-Company, William T. Freeman
Abstract: Data collected from the physical world is always a combination of multiple sources: an underlying signal from the physical process of interest and a signal from measurement-dependent artifacts from the sensor or instrument. This secondary signal acts as a confounding factor, limiting our ability to extract information about the physics underlying the phenomena we observe. Furthermore, it complicates the combination of observations in heterogeneous or multi-instrument settings. We propose a deep learning framework that leverages overlapping observations, a dual-encoder architecture, and a counterfactual generation objective to disentangle these factors of variation. The resulting representations explicitly separate intrinsic signals from sensor-specific distortions and noise, and can be used for counterfactual view generation, parameter inference unconfounded by measurement distortions, and instrument-independent similarity search. We demonstrate the effectiveness of our approach on astrophysical galaxy images from the DESI Legacy Imaging Survey (Legacy) and the Hyper Suprime-Cam (HSC) Survey as a representative multi-instrument setting. This framework provides a general recipe for scientific and multi-modal self-supervised pretraining: construct training pairs from overlapping observations of the same physical system, treat sensor- or modality-specific effects as augmentations, and learn invariant representations through counterfactual generation.
Authors: Samuel Weidemaier, Christoph Norden-Smoch, Martin Rumpf
Abstract: We propose a novel variational method to compute a highly accurate global signed distance function (SDF) to a given point cloud. To this end, the jump set of the gradient of the SDF, which coincides with the medial axis of the surface, is explicitly taken into account through a higher-order variational formulation that enforces linear growth along the gradient direction away from this discontinuity set. The eikonal equation and the zero-level set of the SDF are enforced as constraints. To make this variational problem computationally tractable, a phase field approximation of Ambrosio-Tortorelli type is employed. The associated phase field function implicitly describes the medial axis. The method is implemented for surfaces represented by unoriented point clouds using neural network approximations of both the SDF and the phase field. Experiments demonstrate the method's accuracy both in the near field and globally. Quantitative and qualitative comparisons with other approaches show the advantages of the proposed method.
Authors: Yuji Yamamoto, Satoshi Matsuura
Abstract: Rowhammer on GPU DRAM has enabled adversarial bit flips in model weights; shared KV-cache blocks in LLM serving systems present an analogous but previously unexamined target. In vLLM's Prefix Caching, these blocks exist as a single physical copy without integrity protection. Using software fault injection under ideal bit targeting, we characterize worst-case severity and identify three properties: (1) Silent divergence - 13 of 16 BF16 bit positions produce coherent but altered outputs, indistinguishable from legitimate responses without a clean baseline. (2) Selective propagation - only requests sharing the targeted prefix are affected. (3) Persistent accumulation - no temporal decay occurs, so cumulative damage grows linearly with subsequent requests. Together, these constitute a threat profile distinct from weight corruption: silent divergence and selective propagation enable detection evasion; persistent accumulation then proceeds unchecked, yielding damage amplification bounded only by how long the block remains cached. A checksum-based countermeasure detects any single-bit corruption at scheduling time, bounding cumulative damage to one batch independent of the block's cache lifetime, with negligible overhead. These results argue for integrity protection of prefix blocks before end-to-end exploitation is demonstrated.
Authors: Dorothy Torres, Wei Cheng, Ke Hu
Abstract: Anti-money laundering (AML) transaction monitoring generates large volumes of alerts that must be rapidly triaged by investigators under strict audit and governance constraints. While large language models (LLMs) can summarize heterogeneous evidence and draft rationales, unconstrained generation is risky in regulated workflows due to hallucinations, weak provenance, and explanations that are not faithful to the underlying decision. We propose an explainable AML triage framework that treats triage as an evidence-constrained decision process. Our method combines (i) retrieval-augmented evidence bundling from policy/typology guidance, customer context, alert triggers, and transaction subgraphs, (ii) a structured LLM output contract that requires explicit citations and separates supporting from contradicting or missing evidence, and (iii) counterfactual checks that validate whether minimal, plausible perturbations lead to coherent changes in both the triage recommendation and its rationale. We evaluate on public synthetic AML benchmarks and simulators and compare against rules, tabular and graph machine-learning baselines, and LLM-only/RAG-only variants. Results show that evidence grounding substantially improves auditability and reduces numerical and policy hallucination errors, while counterfactual validation further increases decision-linked explainability and robustness, yielding the best overall triage performance (PR-AUC 0.75; Escalate F1 0.62) and strong provenance and faithfulness metrics (citation validity 0.98; evidence support 0.88; counterfactual faithfulness 0.76). These findings indicate that governed, verifiable LLM systems can provide practical decision support for AML triage without sacrificing compliance requirements for traceability and defensibility.
Authors: Azmul A. Irfan, Nur Ahmad Khatim, Alfan Alfian Irfan, Achmad Zaki, Erike A. Suwarsono, Mansur M. Arief
Abstract: Grading knee osteoarthritis (KOA) on plain radiographs is poorly reproducible across readers. A single-grade disagreement on the Kellgren-Lawrence (KL) scale can alter surgical management or redirect a patient from conservative therapy to intra-articular injection. Meanwhile, deep learning models that outperform human readers often offer no explanation for their decisions. We present Knee-xRAI, a pipeline that decomposes the grading process by mimicking clinical radiological workflows. It independently measures joint space narrowing (JSN), osteophytes, and subchondral sclerosis, then combines these findings into an explainable KL grade. Specifically, a U-Net++ architecture quantifies JSN via contour segmentation, an SE-ResNet-50 multi-task network grades osteophytes per anatomical site on the OARSI scale, and a hybrid texture-CNN detects binary sclerosis. This pipeline yields a 50-dimensional feature vector evaluated via an XGBoost-SHAP classifier (Path A, audit) and a ConvNeXt hybrid predictor (Path B, deployed). On 8,260 OAI-derived radiographs, the JSN module achieved a Dice score of 0.8909 and an mJSW ICC of 0.8674. Path A reached a QWK of 0.6294 and an AUC of 0.8046, confirming the structured feature vector carries substantial diagnostic signal. Path B achieved a QWK of 0.8436 and an AUC of 0.9017. SHAP analysis identifies JSN as the dominant feature, with osteophytes adding a consistent increment and sclerosis contributing marginally. Removing JSN evidence collapses KL3-KL4 recall while early grades remain intact, aligning with the KL diagnostic criteria. Knee-xRAI grounds every prediction in an auditable chain of measured radiographic findings, providing clinical transparency at the point of care.
Authors: Yuxuan Hou
Abstract: Deep learning models are widely deployed in safety-critical domains, but remain vulnerable to adversarial attacks. In this paper, we study the adversarial robustness of NTK neural networks in the context of nonparametric regression. We establish minimax optimal rates for adversarial regression in Sobolev spaces and then show that NTK neural networks, trained via gradient flow with early stopping, can achieve this optimal rate. However, in the overfitting regime, we prove that the minimum norm interpolant is vulnerable to adversarial perturbations.
Authors: Jaehong Moon
Abstract: We study gradient descent for rank-1 matrix factorization through a state-dependent Lyapunov perspective. The central object is a parameterized quadratic certificate $I(\delta;\,\cdot)$ whose boundary-inward property induces a monotone state parameter $\delta_t$, thereby certifying that the trajectory is confined to a shrinking family of level sets. For certified initializations below the critical step size, this mechanism proves convergence to global minimizers. Above the critical step size, the same monotone-state mechanism instead leads to a balanced terminal regime; for a range of post-critical step sizes, the reduced dynamics exhibit period-2 behavior consistent with edge-of-stability phenomena. We further show that the scalar certificate is not an ad hoc algebraic construction: under structural axioms and a natural state-parameter normalization, it is uniquely determined by the monotonicity mechanism. Numerical experiments suggest that this state-dependent Lyapunov mechanism persists beyond the proved cases, including two-dimensional rank-1 approximation and quartic augmentations of scalar factorization.
Authors: Ghadi Nehme, Eamon Whalen, Faez Ahmed
Abstract: Despite recent progress, recovering parametric CAD construction sequences from geometric input, such as meshes or point clouds, is a key challenge for design and manufacturing, as existing CAD reconstruction and generation methods are largely restricted to difficult-to-edit formats like meshes or Breps or editable simple sketch-and-extrude pipelines and low-complexity datasets. We introduce CADFit, a hybrid optimization-based CAD reconstruction framework that recovers complex, editable CAD construction sequences from meshes by incrementally fitting and validating parametric operations using geometric feedback. Our approach is distinguished by formulating reconstruction as an IoU-driven optimization over structured CAD programs and supporting a rich set of operations, including extrusions, revolutions, fillets, and chamfers. Experiments on multiple CAD benchmarks show that CADFit outperforms state-of-the-art mesh-to-CAD methods in volumetric Intersection-over-Union and Chamfer Distance, while substantially reducing the Invalid Ratio of reconstructed CAD programs, particularly for complex designs. We further present a multimodal pipeline that enables end-to-end reconstruction of CAD construction sequences from images by combining image-based geometry reconstruction with CADFit. By enabling accurate reconstruction of higher-complexity CAD models, CADFit provides a practical foundation for generating richer datasets and advancing future learning-based approaches to CAD reverse engineering. The code is available at: https://github.com/ghadinehme/CADFit.
Authors: Fuyun Wang, Yuanzhi Wang, Xu Guo, Sujia Huang, Tong Zhang, Dan Wang, Hui Yan, Xin Liu, Zhen Cui
Abstract: Synthesizing realistic and diverse anomalous samples from limited data is vital for robust model generalization. However, existing methods struggle to reconcile fidelity and diversity, often hampered by distribution misalignment and overfitting, respectively.To mitigate this, we introduce Anomaly Preference Optimization,a novel paradigm that reformulates anomaly generation as a preference learning problem.Central to our approach is an implicit preference alignment mechanism that leverages real anomalies as positive references, deriving optimization signals directly from denoising trajectory deviations without requiring costly human annotation. Furthermore, we propose a Time-Aware Capacity Allocation module that dynamically distributes model capacity along the diffusion timeline,prioritizing structural diversity during highnoise phases while enhancing fine-grained fidelity in low-noise stages. During inference, a hierarchical sampling strategy modulates the coherencealignment trade-off, enabling precise control over generation. Extensive experiments demonstrate that significantly outperforms existing baselines,achieving state-of-the-art performance in both realism and diversity.
Authors: Prakhar Gupta, Garv Shah, Satyam Goyal, Anirudh Kanchi
Abstract: Adapting a pretrained language model to a new task often hurts the general capabilities it already had, a problem known as catastrophic forgetting. Sparse Memory Finetuning (SMF) tries to avoid this by adding key-value memory layers to the model and, on each training step, updating only the small set of memory rows that the current batch reads most heavily. We re-implement SMF on Qwen-2.5-0.5B-Instruct and compare it with LoRA and full finetuning on MedMCQA, a 4-choice medical exam task, using WikiText perplexity and TriviaQA accuracy as forgetting probes. SMF improves MedMCQA by 2.5 percentage points while keeping both forgetting probes within roughly 1 point of the base model, whereas LoRA and full finetuning achieve larger gains but with clear drift on both. We also compare two row-selection rules (KL-divergence and TF-IDF), which balance the two forgetting metrics differently.
Authors: Jaavid Aktar Husain, Dorien Herremans
Abstract: Music popularity prediction has attracted growing research interest, with relevance to artists, platforms, and recommendation systems. However, the explosive rise of AI-generated music platforms has created an entirely new and largely unexplored landscape, where a surge of songs is produced and consumed daily without the traditional markers of artist reputation or label backing. Key, yet unexplored in this pursuit is aesthetic quality. We propose APEX, the first large-scale multi-task learning framework for AI-generated music, trained on over 211k songs (10k hours of audio) from Suno and Udio, that jointly predicts engagement-based popularity signals - streams and likes scores - alongside five perceptual aesthetic quality dimensions from frozen audio embeddings extracted from MERT, a self-supervised music understanding model. Aesthetic quality and popularity capture complementary aspects of music that together prove valuable: in an out-of-distribution evaluation on the Music Arena dataset, comprising pairwise human preference battles across eleven generative music systems unseen during training, including aesthetic features consistently improves preference prediction, demonstrating strong generalisation of the learned representations across generative architectures.
Authors: Hengyu Shi, Tianyang Han, Peizhe Wang, Zhiling Wang, Xu Yang, Junhao Su
Abstract: LLM post-training typically propagates task gradients through the full depth of the model. Although this end-to-end structure is simple and general, it couples task adaptation to full-depth activation storage, long-range backward dependencies and direct task-gradient access to pretrained representations. We argue that this full-depth backward coupling can be unnecessarily expensive and intrusive, particularly when post-training supervision is much narrower than pre-training. To this end, we propose \textbf{LoPT}: Local-Learning Post-Training, a simple post-training strategy that makes gradient reach an explicit design choice. LoPT places a single gradient boundary at the transformer midpoint: the second-half block learns from the task objective, while the first-half block is updated by a lightweight feature-reconstruction objective to preserve useful representations and maintain interface compatibility. LoPT shortens the task-induced backward path while limiting direct interference from narrow task gradients on early-layer representations. Extensive experiments demonstrate that LoPT achieves competitive performance with lower memory cost, higher training efficiency and better retention of pretrained capabilities. Our code is available at: https://github.com/HumyuShi/LoPT
Authors: Benjamin Schneider, Xavier Schneider, Victor Zhong, Sun Sun
Abstract: Long-horizon embodied tasks remain a fundamental challenge in AI, as current methods rely on hand-engineered rewards or action-labeled demonstrations, neither of which scales. We introduce ASH, an agentic system that learns an embodied policy from unlabeled, noisy internet video, without reward shaping or expert annotation. ASH follows a self-improvement loop; when it gets stuck, ASH learns an Inverse Dynamics Model (IDM) from its own trajectories, and uses its IDM to extract supervision from relevant internet video. ASH uses unsupervised learning to identify key moments from large-scale internet video and retains them as long-term memory -- allowing it to tackle long-horizon problems. We evaluate ASH on two complementary environments demanding multi-hour planning: Pokemon Emerald, a turn-based RPG, and The Legend of Zelda: The Minish Cap, a real-time action-adventure game. In both games, behavioral cloning, retrieval-augmented and zero-shot foundation-model baselines plateau, while ASH sustains progression across our 8-hour evaluation. ASH reaches an average of $11.2/12$ milestones in Pokemon Emerald and $9.9/12$ in Legend of Zelda, while the strongest baseline gets stuck in both environments at an average of $6.5/12$ and $6.0/12$ milestones, respectively. We demonstrate that self-improving agents are a scalable recipe for long-horizon embodied learning.
Authors: Yixuan Jia, Siyi Chen, Yida Pan, Xiao Li, Lianghe Shi, Chanyong Jung, Haijie Yuan, Ismail Alkhouri, Yue Cynthia Wu, Saiprasad Ravishankar, Jeffrey A Fessler, Qing Qu
Abstract: Data assimilation (DA) estimates the state of an evolving dynamical system from noisy, partial observations, and is widely used in scientific simulation as well as weather and climate science. In practice, filtering methods rely on frame-to-frame transition models. However, these models are fragile when observations are non-Markovian (when they form only a partial slice of a higher-dimensional latent state as in real-world weather data): they tend to accumulate errors over long horizons. At the same time, learned DA methods typically commit to a single regime, either filtering (nowcasting, real-time forecasting) or smoothing (retrospective reanalysis), which splits what should be a shared prior across application-specific pipelines. To address both issues, we introduce ForcingDAS, a unified and robust DA framework. Built on Diffusion Forcing with an independent noise level assigned to each frame, ForcingDAS learns a joint-trajectory prior instead of frame-to-frame transitions. This allows it to capture long-horizon temporal dependencies and reduce error accumulation. In addition, the same trained model spans the full filtering to smoothing spectrum at inference time. Specifically, nowcasting, fixed-lag smoothing, and batch reanalysis are selected through the inference schedule alone, without retraining. We evaluate ForcingDAS on 2D Navier-Stokes vorticity, precipitation nowcasting, and global atmospheric state estimation. Across all settings, a single model is competitive with or outperforms both learned and classical baselines that are specialized for individual regimes, with the largest gains observed on real-world weather benchmarks.
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: Safayat Bin Hakim, Keyan Guo, Wenkai Tan, Alvaro Velasquez, Shouhuai Xu, Houbing Herbert Song
Abstract: LLM-based agents can recover from individual execution errors, yet they repeatedly fail on the same fault when the underlying process knowledge--operator schemas, preconditions, and constraints--remains unrepaired. Existing self-evolving approaches address this gap by updating prompts, memory, or model weights, but none directly repair the symbolic structures that encode how tasks are executed, and few provide the governance guarantees required for safe deployment. We introduce ANNEAL, a neuro-symbolic agent that converts recurring failures into governed symbolic edits of a process knowledge graph without modifying foundation model weights. Its core mechanism, Failure-Driven Knowledge Acquisition (FDKA), localizes the responsible operator, synthesizes a typed patch through constrained LLM generation, and validates the proposal via multi-dimensional scoring, symbolic guardrails, and canary testing before commit. Every accepted edit carries full provenance and deterministic rollback capability. Across four domains and 27 multi-seed runs, ANNEAL is the only evaluated system that commits persistent structural repairs--strong baselines such as ReAct and Reflexion achieve high episodic recovery yet retain 72--100% holdout failure rates on recurring faults, whereas ANNEAL reduces these to 0% in the tested recurring-failure settings. Ablation confirms that removing FDKA eliminates all structural repairs and drops success rate by up to 26.7 percentage points. These results suggest that governed symbolic repair offers a complementary paradigm to weight-level and prompt-level adaptation for persistent fault elimination.
Authors: Xiaoou Liu, Tiejin Chen, Dengjia Zhang, Yaqing Wang, Lu Cheng, Hua Wei
Abstract: Large Language Models have achieved strong performance on reasoning tasks with objective answers by generating step-by-step solutions, but diagnosing where a multi-step reasoning trace might fail remains difficult. Confidence estimation offers a diagnostic signal, yet existing methods are restricted to final answers or require internal model access. In this paper, we introduce Stepwise Confidence Attribution (SCA), a framework for closed-source LLMs that assigns step-level confidence based only on generated reasoning traces. SCA applies the Information Bottleneck principle: steps aligning with consensus structures across correct solutions receive high confidence, while deviations are flagged as potentially erroneous. We propose two complementary methods: (1) NIBS, a non-parametric IB approach measuring consistency without graph structures, and (2) GIBS, a graph-based IB model that learns subgraphs through a differentiable mask to capture logical variability. Extensive experiments on mathematical reasoning and multi-hop question answering show that SCA reliably identifies low-confidence steps strongly correlated with reasoning errors. Moreover, using step-level confidence to guide self-correction improves the correction success rate by up to 13.5\% over answer-level feedback.
Authors: Maosong Cao, Kai Chen, Haodong Duan, Yixiao Fang, Zhiwei Fei, Tong Gao, Ge Jiaye, Mo Li, Hongwei Liu, Junnan Liu, Yuan Liu, Chengqi Lyu, Han Lyu, Ningsheng Ma, Zerun Ma, Yu Sun, Zhiyong Wu, Linchen Xiao, Zhuozhi Xiong, Jun Xu, Haochen Ye, Zhaohui Yu, Yike Yuan, Songyang Zhang, Yufeng Zhao, Fengzhe Zhou, Peiheng Zhou, Dongsheng Zhu, Lin Zhu, Jingming Zhuo
Abstract: In recent years, the field of artificial intelligence has undergone a paradigm shift from task-specific small-scale models to general-purpose large language models (LLMs). With the rapid iteration of LLMs, objective, quantitative, and comprehensive evaluation of their capabilities has become a critical link in advancing technological development. Currently, the mainstream static benchmark dataset-based evaluation methods face challenges such as the diversity of task types, inconsistent evaluation criteria, and fragmentation of data and processing workflows, making it difficult to efficiently conduct cross-domain and large-scale model evaluation. To address the aforementioned issues, this paper proposes and open-sources OpenCompass, a one-stop, scalable, and high-concurrency-supported general-purpose LLM evaluation platform. Adhering to the design philosophy of modularization and component decoupling, the platform boasts three core advantages: high compatibility, flexibility, and high concurrency. The core architecture of OpenCompass comprises five key components: the Configuration System, Task Partitioning Module, Execution and Scheduling Module, Task Execution Unit, and Result Visualization Module. Its workflow provides rule-based, LLM-as-a-Judge, and cascaded evaluators to adapt to the requirements of different task scenarios. Supporting mainstream benchmark datasets across multiple domains, including knowledge, reasoning, computation, science, language, code, etc., the platform offers a unified and efficient LLM evaluation tool for both academia and industry, facilitating the accurate identification of strengths and weaknesses of LLMs as well as their subsequent optimization.
Authors: Siamul Karim Khan, Patrick J. Flynn, Adam Czajka
Abstract: NIST Iris Exchange (IREX) offers an appealing solution to evaluating new open-source iris recognition algorithms, but it presents high barriers to entry because these algorithms must be written in C++, using a specific API, and adapted to meet strict IREX speed and memory constraints. The main goal of this paper is to lower these barriers and advance open-source iris recognition large-scale evaluations by offering: (a) two new modern deep learning-based open-source iris matchers (ArcIris and TripletIris), along with their C++ IREX X-compliant implementations, which are the first open-source iris recognition methods included into the IREX X leaderboard (and thus IREX-vetted), as well as new segmentation and iris circular approximation models that can be incorporated into any new iris recognition method, and (b) a performance assessment (according to IREX X testing protocols) of all major and currently available open-source iris recognition solutions. The paper also provides Python implementations of the new ArcIris and TripletIris methods and discusses the differences one may encounter between C++ and Python implementations of the same conceptually equivalent approaches. Finally, the paper offers open-source, IREX X-compliant C++ implementations of two existing methods: (a) an iris image filtering-based algorithm utilizing human saliency-driven kernels (HDBIF), and (b) a human-interpretable algorithm for detecting and comparing Fuchs' crypts (CRYPTS). In addition to IREX X evaluation results, the paper reports the performance of all methods on major academic benchmarks: Quality-Face/Iris Research Ensemble (Q-FIRE), Warsaw-Biobase Post-Mortem Iris, CASIA-Iris-Thousand-V4, CASIA-Iris-Lamp-V4, IIT Delhi Iris Database, IIITD Contact Lens Iris Database, NDIris3D, and Notre Dame Variable Iris Image Quality Release 2 (VII-Q-R2).
Authors: Ishaan Kelkar, Nebras Alam, Vikram Kakaria, Madhur Panwar, Vasu Sharma, Maheep Chaudhary
Abstract: We study the effect of different persona on \textbf{sycophancy}: model's agreement with users even when the user is incorrect. The standard mitigation, Contrastive Activation Addition (CAA), derives a steering direction from labelled pairs of sycophantic and honest responses. This study evaluates whether off-the-shelf persona steering vectors, originally developed for general role-playing and not trained on sycophancy data, can serve as an alternative. In two instruction-tuned models, steering toward personas characterised by doubt or scrutiny reduces sycophancy to approximately $68\%$ and $98\%$ of CAA's effect, and, unlike CAA, maintains accuracy when the user is correct. The effect is also asymmetric: steering toward agreeable personas does not produce a mirror increase in sycophancy. Geometrically, the persona vector is largely independent of the direction of sycophancy in activation space. Collectively, these findings suggest that sycophancy is better understood as a persona-level property rather than a single steerable direction. We release our code here: https://anonymous.4open.science/r/Sycophancy-Steering-9DF0/.
URLs: https://anonymous.4open.science/r/Sycophancy-Steering-9DF0/.
Authors: Zenghui Zhou, Man Li, Xiaoke Fang, Xinyi Zhou, Weibin Lin, Zheng Zheng
Abstract: Large Language Models (LLMs) achieve strong performance on logical reasoning benchmarks, yet their reliability remains uncertain. Existing evaluations rely on static benchmarks, which fail to assess robustness under logically equivalent transformations and often overestimate reasoning capability. We propose LGMT (Logic-Grounded Metamorphic Testing), an oracle-free framework that leverages first-order logic (FOL) to evaluate LLM reasoning. By deriving metamorphic relations from formal logical equivalences, LGMT constructs semantically invariant test cases and detects reasoning defects through cross-case consistency checking. Experiments on six state-of-the-art LLMs show that LGMT exposes substantial hidden defects missed by traditional reference-based evaluations. We further find that models are particularly sensitive to symbol-level and conclusion-level variations, and that advanced prompting such as Few-shot CoT only partially mitigates these issues. These results suggest that LLM evaluation should move beyond isolated correctness toward robustness under logical invariance. LGMT provides a principled and scalable approach for diagnosing reasoning failures.
Authors: Vyzantinos Repantis, Ameya Gawde, Harshvardhan Singh, Joey Blackwell II
Abstract: Before an LLM agent can use a tool, a retrieval system must decide which candidate tools to show to the agent. How long should that shortlist be? Show too many tools and the model struggles to choose. Show too few and the correct tool may not appear. Most systems apply a fixed shortlist size to every query, but no standard metric exists to evaluate whether that size was appropriate. We treat the number of tools shown to an LLM agent as the object of evaluation and we apply Bits-over-Random (BoR), a chance-corrected metric that asks whether success at a given depth is better than what random selection would achieve at that same depth. We evaluate BoR across three tool-selection benchmarks, multiple scorers, and registries ranging from 20 to 3,251 tools. We then turn the same principle into a reinforcement learning (RL) reward for choosing tool shortlist depth per query. The RL agent is deliberately simple, serving as a probe of the metric rather than a proposed system. As the shortlist grows, random chance of including the correct tool rises, so the reward naturally decreases, reducing the need for an engineered depth penalty. On BFCL (370 tools), the learned policy nearly matches the coverage of showing 50 tools ($90.3\%$ vs $90.8\%$) while presenting only 7 on average. On ToolBench (3,251 tools), a fixed shortlist of 5 tools achieves higher aggregate coverage ($64.7\%$ vs $61.9\%$) but finds nothing on hard queries (correct tool ranked 6th-20th). The BoR agent finds $16.7\%$ on those same queries by searching deeper. Downstream validation with Claude Sonnet 4.6 indicates that shorter adaptive lists also improve the LLM's ability to select the right tool: $93.1\%$ versus $87.1\%$ when always shown 5 tools, widening to $76.8\%$ vs $60.9\%$ on medium-difficulty queries where the correct tool is present but not ranked first.
Authors: Munsik Kim
Abstract: We study the rate-distortion limits of online KV cache compression in autoregressive language models, formulating it as sequential Wyner-Ziv source coding on the filtration induced by the model, with the next-step query as decoder side information. Empirically, across four models spanning two families and $0.5$-$3$B parameters, we find that the next-token distribution's sensitivity to context truncation decays \emph{polynomially} rather than \emph{geometrically}: a power law improves on an exponential fit by an order of magnitude in extrapolation, the fitted exponent is recovered independently from a sink-plus-recent KL measurement, and the decay is verified to be free of positional-encoding artifacts by a position-preserving ablation. Under a corresponding \emph{polynomial truncation-sensitivity} assumption, our main result characterizes the per-token memory requirement of \emph{suffix-only} cache policies: a sliding-window scheme attains distortion $\varepsilon$ with window $w = O(\varepsilon^{-1/\alpha})$, and -- under an additional two-sided Bayes-risk condition -- a converse shows $w = \Omega(\varepsilon^{-1/\alpha})$ is necessary within this policy class, so the scaling is $\Theta(\varepsilon^{-1/\alpha})$ for suffix-only policies. Whether recurrent or propagating cache summaries can beat this scaling is left open. An explicit block-Markov scheme achieves the upper bound; its rate-of-convergence exponent matches the converse under additional forward-decay and regularity hypotheses (not implied by truncation sensitivity alone), and differs by a factor of two otherwise. Empirically, the polynomial law predicts the degradation curves of concrete cache policies: recency-based eviction (sliding, sink-plus-recent) suppresses distortion by roughly two orders of magnitude over random retention at equal budget, with a power-law decay in the budget.
Authors: Bowen Wang, Dunjie Lu, Junli Wang, Tianyi Bai, Shixuan Liu, Zhipeng Zhang, Haiquan Wang, Hao Hu, Tianbao Xie, Shuai Bai, Dayiheng Liu, Que Shen, Junyang Lin, Tao Yu
Abstract: Reinforcement learning with verifiable rewards (RLVR) has driven breakthroughs in domains such as math, tool-use, and software engineering, yet its extension to computer-use agents (CUAs) has been bottlenecked by the scarcity of scalable training data with deterministic rewards. Constructing such data for CUAs requires consistent task instruction, executable environment, and verifiable reward. However, hand-curated benchmarks achieve high reward fidelity but cover few applications and LLM-as-judge-based datasets scale broadly but lack reliable verification. We present CUA-Gym, a scalable pipeline that co-generates task instructions, environment states, and reward functions. Concretely, a Generator agent constructs the initial and golden environment states, and a separate Discriminator agent writes the reward function from the task specification. An orchestrator agent drives the two through iterative rounds upon execution. Generated tuples then pass a final filter combining LLM majority voting and agent rollouts, ensuring quality beyond the per-task adversarial loop. To address the scarcity of training environments, we further synthesize CUA-Gym-Hub, a broad suite of high-fidelity mock web applications grounded in real-world software-use distributions, expanding the scale of CUA RLVR data by magnitude. Using this pipeline, we construct CUA-Gym, a dataset of 32,112 verified RLVR training tuples grounded in 110 environments. Trained with GSPO on CUA-Gym, our CUA-Gym-A3B and CUA-Gym-A17B achieve 62.1% and 72.6% on OSWorld-Verified, outperforming prior open-source CUAs at comparable scales, with performance scaling smoothly in both data volume and environment diversity. The same checkpoints also improve on the held-out WebArena benchmark, indicating transfer beyond the training environments. We will open-source the full synthesis pipeline, dataset, CUA-Gym-Hub environments, and models.
Authors: Dhruv S. Kushwaha, Zoleikha A. Biron
Abstract: Safe reinforcement learning (RL) for robotic systems requires policies that improve task performance while satisfying state and input constraints during both training and deployment. Control barrier functions (CBFs) provide a principled mechanism for enforcing forward invariance through minimally invasive safety filters, but their use in model-free RL is limited by the need for accurate dynamics and hand-designed barrier certificates. We propose Robust Koopman-CBF SAC, a safety-filtered actor--critic framework that learns a finite-dimensional Koopman predictor from data, constructs affine CBF constraints in the lifted space, and enforces them through a quadratic-program safety layer. To account for finite-dimensional Koopman approximation error, the CBF condition is tightened using a projected residual margin estimated from held-out rollout data. The critic is trained on the executed safe action, while the actor is regularized toward the Koopman-CBF feasible set, reducing dependence on the filter over training. Across safe-control benchmarks, the method achieves zero constraint violations on CartPole stabilization and tracking while matching or exceeding unconstrained SAC returns. On high-dimensional Safety Gymnasium locomotion tasks, the method reduces violations in some settings but also exposes important limitations of first-order velocity barriers and linear EDMD models, motivating high-order and multi-step Koopman-CBF extensions. These results suggest that robust Koopman-CBF filters are a promising bridge between model-free RL and certifiable safety, while clarifying the structural conditions under which such filters remain effective.
Authors: Dean P. Foster, Sergiu Hart
Abstract: The classic concept of "calibrated forecasts" and its more recent refinement, "calibeating," are defined with respect to the standard quadratic scoring rule. We extend these notions to the class of $\textit{proper}$ scoring rules (for which the best forecast is the true distribution) and define $\textit{proper-calibration}$ and $\textit{proper-calibeating}$ by requiring the errors to converge to zero uniformly over all bounded proper scoring rules. We first establish that calibration always implies proper-calibration, whereas calibeating need not imply proper-calibeating. Second, we show how to guarantee proper-calibeating and proper-multicalibeating. Finally, we demonstrate the equivalence between proper-calibration and universal no regret when best replying to forecasts in decision-making under uncertainty.
Authors: Tung Dao, Son N. Tran, Huynh Thi Thanh Binh
Abstract: Variational Quantum Algorithms (VQAs) are a leading approach to exploiting near-term quantum hardware, leveraging parameterized quantum circuits and classical optimization to achieve advantage. Despite their promise, the practical deployment of VQAs is challenged by the difficulty of designing quantum circuit architectures that balance expressivity, trainability, and hardware constraints. Existing evolutionary-based quantum neural architecture search methods address these challenges but suffer from high computational costs due to repeated training of candidate circuits. In this work, we identify a setting in which the Gram matrix of the Quantum Neural Tangent Kernel converges. Building on this observation, we design a zero-shot surrogate model to estimate candidate performance without full training, significantly accelerating the architecture search process. Using this surrogate, we propose MZeQAS, a Monte Carlo Tree Search (MCTS)-based Zero-Shot Quantum Neural Architecture Search framework for VQAs. By integrating proxy-based performance estimation with MCTS exploration, MZeQAS efficiently discovers high-performing architectures. Experimental results demonstrate that MZeQAS outperforms existing approaches in terms of both search efficiency and solution quality, providing a scalable and effective framework for advancing VQA deployment on noisy intermediate-scale quantum devices.
Authors: Ping Liu, Qianqi Shen, Jianqiang Shen, Chunnan Yao, Kevin Kao, Rajat Arora, Dan Xu, Baofen Zheng, Yunxiang Ren, Benjamin Le, Ali Hooshmand, Igor Lapchuk, Juan Bottaro, Raghavan Muthuregunathan, Caleb Johnson, Liangjie Hong, Jingwei Wu, Wenjing Zhang
Abstract: Query understanding in large-scale industrial search systems is typically implemented as a cascade of disparate, task-specific components. While individually optimizable, this fragmented architecture incurs high maintenance overhead and results in inconsistent behaviors, particularly for long-tail queries. In this work, we propose and deploy a unified structured query understanding system that consolidates these heterogeneous functions into a single Small Language Model (SLM) that performs schema-constrained generation. To address the data bottlenecks inherent in unified modeling, we introduce Query Illuminator, a dual-purpose framework serving as: (i) a teacher model for high-quality auto-annotation and distillation, and (ii) a surrogate judge for scalable evaluation where human labels are scarce. We validate this approach through extensive offline and online tests within LinkedIn's Job Search system. Furthermore, we demonstrate the framework's horizontal extensibility through a cross-domain case study on People Search. The results show improved user engagement and reduced operational costs, achieved while satisfying strict low-latency serving constraints on limited GPU resources.
Authors: Junhyuck Kim, Jihun Yun, Haechan Kim, Gyeongman Kim, Joonghyun Bae, Jaewoong Cho
Abstract: Mixture-of-Experts (MoE) is now the dominant architecture for frontier language models, yet it requires all expert parameters to be loaded in memory, making it less preferable for memory-constrained deployment. Existing compression methods reduce the number of experts but the output remains an MoE model with the same fundamental limitation. We present the first systematic framework for converting a trained MoE into a standard fully dense architecture: experts are scored, selected, and grouped, then concatenated into a dense FFN and refined by knowledge distillation from the MoE teacher. We evaluate 7 scoring, 5 grouping, and 2 magnitude scaling methods across a range of selected expert counts on Qwen3-30B-A3B, yielding 350 configurations. We find that the choice of scoring method is the most impactful, with our novel diversity-aware scoring consistently outperforming prior methods on Qwen3-30B-A3B, DeepSeek-V2-Lite, and GPT-OSS-20B. Under a controlled comparison at matched parameter count, MoE-to-dense outperforms dense-to-dense pruning by +6.3 pp in average downstream accuracy after ~4B-token distillation at 1.6x faster training wall-clock speed.
Authors: Anthony Ayli, Khalil Harris, Jihad Fahs, Mohamad Assaad
Abstract: Homomorphic encryption (HE) enables privacy-preserving aggregation in federated learning (FL) by allowing the server to operate on encrypted data without decryption. Existing HE-over-the-air (OTA) methods mainly rely on single-key HE schemes and require channel estimation or pre-equalization to compensate for wireless fading. However, single-key HE remains vulnerable to honest-but-curious (HBC) clients holding the shared secret key, while multi-key HE provides stronger client-level security by assigning each device its own secret key. We propose a four-phase protocol that enables the aggregation of xMK-CKKS over a shared wireless channel without channel estimation. The protocol retransmits partial public keys and ciphertexts through the same channel realization, so that the dominant large-modulus encryption terms cancel algebraically during decryption. We integrate this protocol with zero-order FL over slowly varying LoS-dominant channels, where each device transmits a single encrypted scalar per round and the communication/encryption overhead is independent of the model dimension. We show that the residual noise induced by encryption and wireless aggregation preserves the standard convergence rate \(O(1/\sqrt{K})\) up to a negligible noise floor, where $K$ is the number of communication rounds. The protocol assumes an non-trusted server and is secure against HBC clients, preventing any client from recovering the local updates of other participants. Numerical results on MNIST validate the theoretical analysis.
Authors: Yujie Luo, Xiangyuan Ru, Jingsheng Zheng, Jingjing Wang, Yuqi Zhu, Jintian Zhang, Runnan Fang, Kewei Xu, Ye Liu, Zheng Wei, Jiang Bian, Zang Li, Shumin Deng
Abstract: Large Language Models (LLMs) have demonstrated strong performance on general tasks, while often struggling to adapt to specialized domains without high-quality domain-specific data. Existing LLM-based data curation methods primarily rely on human-designed workflows, leaving it unexamined whether LLMs can autonomously execute an end-to-end data engineering pipeline for model specialization. We formalize Autonomous Agentic Data Engineering, a novel task designed to evaluate LLMs as autonomous data engineers that drive model specialization through end-to-end data curation. We frame data as an optimizable component and study agents that plan, generate, and iteratively optimize training data across multiple domains, guided by post-training performance improvement. Experiments show that autonomous LLM data engineers yield substantial gains, as GPT-5.2 constructs a training curriculum that improves a student model by 57.29%, entirely through iterative, agent-driven data adaptation. By illuminating both potential and bottlenecks, our study establishes autonomous data engineering as a measurable capability and charts a path toward agent-driven model specialization (Code will be released at https://github.com/zjunlp/DataAgent).
Authors: Jiacheng Lu, Haoyi Zhu, Sipei Yi, Enze Xie, Yu Li, Cheng Zhuo
Abstract: Interactive video world models generate video chunk by chunk in response to user-controlled camera movements, enabling applications such as real-time game simulation, virtual scene navigation, and embodied AI training. However, scaling to long interactive trajectories is prohibitively expensive due to growing context memory, quadratic attention complexity, and repeated denoising steps. We present Light Interaction, a training-free inference acceleration framework for interactive video world models. Our key insight is that interaction naturally enables trajectory-dependent adaptive computation: retrieved spatial memory can be discarded during novel exploration, temporal context can be adjusted according to local latent dynamics, and early-step model outputs can be reused when the camera revisits familiar regions. Based on this insight, Light Interaction combines adaptive context management, denoising cache acceleration, and hardware-software co-designed 3D block sparse attention with fused Triton kernels. Evaluated on HY-WorldPlay and Matrix-Game-3.0, Light Interaction achieves up to 2.59x speedup without model retraining while maintaining competitive visual quality.
Authors: Yueh-Hua Wu, Tatsuya Matsushima, Kei Ota
Abstract: Natural language is a powerful reasoning medium for language and vision-language models, but it is mismatched to the granularity of continuous control. Text and explicit subgoals operate at task-level granularity, whereas vision-language-action (VLA) policies must choose actions at a much finer temporal scale; a single reasoning step can therefore span many action chunks while remaining only weakly coupled to the action needed now. This suggests a different question for VLA: what should play the role of language? We argue that a useful VLA reasoning medium must be shareable across model instances, verifiable through downstream action improvement, and aligned with temporally extended control structure. Based on this view, we propose Continuous Reasoning for Vision-Language-Action. Our model first predicts continuous reasoning in the form of a structured set of continuous thoughts, then reuses them as shared context for chunk-structured action generation. Better action prediction alone does not certify good reasoning: if the same internal medium cannot be shared across model instances and independently verified through improved downstream control, the added latent may simply become a model-private shortcut that helps on seen behaviors without supporting generalizable control. We therefore instantiate continuous reasoning as a shared Gaussian latent interface and train it with a self-verification objective in which an exponential-moving-average teacher must successfully consume the student's reasoning when predicting target actions. Empirically, Continuous Reasoning improves LIBERO-PRO robustness and performs strongly on real robots, raising mean subtask success over {\pi}0.5 by 40.4% on TX-G2, an AgiBot G2-compatible variant, and 26.3% on HSR. This suggests that reasoning in VLA is less about extra tokens than about a shareable, verifiable internal language for action.
Authors: William Rudman, Abhishek Divekar, Kanishk Jain, Sebastian Joseph, Stella S. R. Offner, Matthew Lease, Kyle Mahowald, Greg Durrett, Junyi Jessy Li
Abstract: Fitting quantitative models to data is a central step in scientific workflows, yet it remains one of the least automated. Recent agent-based systems leverage language and vision-language models (VLMs) to iteratively propose and refine statistical models, but these systems struggle on more challenging modeling tasks. To address these limitations, we introduce VESTA: Visual Exploration with Statistical Tool Agents, a framework that equips VLMs with a dynamically growing exploration toolkit to guide model refinement through data transformations, hypothesis-driven visualizations, and robust statistical tests. Unlike prior systems that rely on iterative critique alone, VESTA actively explores data before and during refinement by selecting or creating diagnostic tools, which accumulate in the model's context and can be reused later. We evaluate VESTA against established baselines in three toolkit configurations: no tools, static expert-written tools, and dynamic model-written tools. To support this evaluation, we introduce DAWN (Dataset for Automated Workflows and Numerical Modeling), a benchmark targeting distribution fitting and time series modeling with varying difficulty tiers, and culminating in real-world astronomy tasks including modeling initial mass functions and gravitational-wave chirp signals. We find that VESTA's dynamic tool creation outperforms prior agentic pipelines, with the largest gains on complex and domain-specific tasks. We further show that dynamically generated tools are substantially more sophisticated than those produced by existing visual tool-creation systems, covering more diagnostic categories per function and strongly preferring visual outputs that the VLM critic can reason over directly.
Authors: Beepul Bharti, Ambar Pal, Jacopo Teneggi, Jeremias Sulam
Abstract: Uncertainty quantification (UQ) is critical for the deployment of machine learning predictors in real-world scenarios where the data distribution may shift over time (i.e., data may not be exchangeable). Online conformal prediction (OCP) methods address this issue at the expense of either (i) group-wise error control or (ii) learning-rate independent implementation. Group-conditional coverage is essential for fairness across different collections of data points and for providing finer UQ guarantees. Parameter-free optimization is crucial for robustness to adversarial and unknown data shifts. We propose a parameter-free algorithm for group-conditional OCP and demonstrate that it achieves the best group-conditional coverage guarantees. We evaluate our algorithm on synthetic and real-world data, demonstrating that our method not only improves the reliability of existing parameter-free OCP methods but also provides prediction intervals that are comparable in size to well-tuned group-conditional approaches. By unifying group-conditional coverage with parameter-free online algorithms, our work lays a foundation for fair and robust uncertainty quantification in shifting environments.
Authors: Partha Pratim Saha, Samarth Raina, Mayur Parvatikar, Amit Dhanda, Vinija Jain, Aman Chadha, Amitava Das
Abstract: Preference alignment has substantially improved the observable behavior of large language models, yet it remains unclear what alignment changes internally. Aligned systems still fail under jailbreaks, prompt injection, and retrieval-time corruption, suggesting behavior-level evaluation alone is incomplete. Post-training should leave measurable traces in internal computation. We ask: when an instruction-tuned (IT) model becomes a preference-aligned (PA) model, what geometric structure changes, where do those changes concentrate, and how selectively do they vary across concepts, prompts, and model families? We introduce MENTIS, a geometry-first framework for measuring alignment-induced internal reorganization in paired checkpoints. MENTIS compares IT and PA models using a primary layerwise covariance-based torsion norm (T1), a secondary spectral torsion diagnostic (T2), and an Energy-Radiance-Activation measure (ERA) for depth localization. Across four 7-8B model pairs on LITMUS, our study reveals that alignment-induced change is selective rather than uniform: normative concepts exhibit larger torsion shifts than factual concepts on average; torsion is negatively correlated with contextual entropy; and peak effects localize to architecture-specific mid-to-late layers. The same pattern appears across word-level, prompt-level, and model-level analyses. These results suggest preference alignment leaves structured, depth-localized geometric signatures in internal computation beyond what behavior-level evaluation alone can reveal.
Authors: Peng Chen, Hailiang Zhao, Xueyan Tang, Yixuan Wang, Shuiguang Deng
Abstract: Learning-augmented paging has been extensively studied in recent years. A key advantage over naive ML-based approaches is \emph{bounded robustness}, which guarantees worst-case performance even when predictions are inaccurate, making these algorithms valuable for real-world systems. Prior work achieves robustness bounds of $2H_k + O(1)$ in the randomized setting, leaving a gap to the optimal competitive ratio $H_k$. In this paper, we study how to close this gap. We begin by reviewing online optimality and proving a new property of the latest $H_k$-competitive algorithm, which facilitates our analysis in the learning-augmented setting. Then, we review existing learning-augmented paging algorithms and introduce a unifying primitive, the \emph{relative prediction budget}, which captures the essence of establishing robustness and reveals that prior algorithms either overuse or underutilize predictions. Guided by the above analysis, we develop a new framework that achieves the best-possible robustness up to an additive constant for learning-augmented paging: $H_k + O(1)$. Experiments further demonstrate strong practical performance.
Authors: Zelin He, Haotian Lin, Boran Han, Wei Zhu, Haoyang Fang, Bernie Wang, Xuan Zhu, Runze Li, Matthew Reimherr
Abstract: Agentic reinforcement learning (RL) enables LLM agents to improve continuously from environment rewards, yet the resulting policies do not systematically accumulate reusable strategies that generalize across tasks. Modular skills can provide such reusable strategies, yet existing skill-augmented RL methods decouple skill creation from policy optimization, risking adopting skills that conflict with the evolving policy. Inspired by Anthropic's Skill Creator, we introduce ReSkill, an RL-in-the-loop skill creation framework that reconciles skill evolution with policy learning. ReSkill exploits the group-wise structure of GRPO to naturally embed three mechanisms with only marginal additional overhead: (1) an assertion-driven skill creator that diagnoses failures from past experience and proposes conditional, trigger-based skill revisions; (2) within-group rollout sampling that enables controlled comparison of skill versions, capturing which version best supports the policy's ongoing learning; and (3) Thompson Sampling with adaptive discounting to balance exploration and exploitation in skill version selection as the policy evolves. Across several domains, ReSkill consistently outperforms existing memory and skill-based RL methods, with the largest gains on unseen tasks. Analysis of the skill lifecycle shows skills being automatically created, tested, refined, and pruned as the policy improves, demonstrating reconciled skill-policy co-evolution.
Authors: Amirmohammad Mohammadi, Joshua Peeples, Alexandra Van Dine
Abstract: Underwater acoustic classification has a wide array of oceanic applications, but faces challenges due to an increasingly complex acoustic environment. Waveform and spectrogram representations have been primarily used as acoustic data features for classification tasks in this domain. Spectrograms model harmonic dependencies, but these reduced representations can filter out acoustic features relevant for discrimination. While phase information from the waveform allows full characterization of the signal, the original waveform can be noisy and complex, rendering this representation difficult for models to process directly. This paper proposes a dual-encoder neural architecture to simultaneously process acoustic waveforms and spectrograms, leveraging pre-trained backbones and parameter-efficient fine-tuning modules, enabling a domain adaptation. To combine these adapted branches, a novel differentiable fuzzy aggregation mechanism based on the Choquet integral is introduced to balance the temporal and spectral representations. This fusion strategy not only yields higher classification accuracy but also provides interpretability. Specifically, by analyzing the learned fuzzy measures, insights are revealed about class-specific shifts in the network's representation reliance. By dynamically shifting attention to the representation least corrupted by potential asymmetric channel distortions, the proposed gating mechanism mitigates the non-stationary challenges of the underwater environment. Evaluations on the DeepShip and ShipsEar datasets demonstrate that the proposed architecture achieves classification improvements over independent single-encoder baselines, while simultaneously restricting the trainable parameter space. This mitigates the risk of overfitting on limited acoustic datasets while alleviating the computational costs associated with fully fine-tuning foundation models.
Authors: Yueh-Hua Wu, Tatsuya Matsushima, Kei Ota
Abstract: Generalization remains a central bottleneck for vision-language-action (VLA) models: under distractors, appearance shifts, and semantically similar tasks, the policy must often infer local execution details from coarse instructions while also deciding which parts of the image matter for control. We present S2 (See Less, Specify More), a framework for improving VLA generalization by training the executor under a cleaner interface. Specify More preserves the original instruction as a stable high-level goal while relabeling each trajectory into refined trajectory- and subtask-level language that disambiguates the current execution mode. Unlike native attention, See Less imposes an explicit visual evidence budget, training the executor to act from task-sufficient evidence rather than unconstrained visual context, without any region or mask annotation. This interface lets the executor follow detailed guidance without relying on distracting visual patches or resolving avoidable ambiguity on its own, and it remains compatible with off-the-shelf VLM planners through in-context learning. Across our main evaluation settings, S2 improves overall generalization metrics by changing the executor's learning problem: coarse instructions induce avoidable supervision aliasing, goal-preserving local guidance outperforms instruction replacement in our main ablations, and explicit evidence budgeting reduces dependence on broad visual context beyond efficiency considerations. Across eight real-robot tasks on TX-G2 (an AgiBot G2-compatible variant) and HSR, S2 raises mean subtask success from 54.2% to 79.0% over pi0.5. Together, these results suggest that VLA generalization improves when the executor is trained to act from informative local guidance and task-sufficient visual evidence, rather than recovering both from weak supervision.
Authors: Pratik Priyanshu
Abstract: I present EXOVEIL, a transit detection system that learns what a star's brightness should look like and flags when reality disagrees. Unlike existing systems that require phase-folded input, EXOVEIL operates on raw flux time series and can detect planets that transit only once.A Transformer world model, trained on 16,499 Kepler light curves with transit-masked self-supervised learning, predicts expected stellar flux. A matched-filter detector with variance weighting extracts transit signals from the prediction residuals. A learned classifier (XGBoost) separates planets from false positives, achieving AUC 0.938 on Kepler DR25. Applied to single-transit injection-recovery, EXOVEIL recovers 32% of transits at 1000 ppm depth a task where all classification-based systems score 0% by construction. A blind search of 3,737 Kepler stars yields 179 new transit-like signals not present in the DR25 TCE catalogue, including 46 monotransit candidates. Applied withoutretraining to 47 confirmed TESS planets in the PLATO LOPS2 field, EXOVEIL achieves 100% recovery, demonstrating zero-shot cross-mission transfer. At PLATO's 25-second cadence, detection reaches 100 ppm -- approaching the Earth-analog regime. I provide the first application of conformal prediction to transit detection (95.9% empirical coverage) and release the system as pip install exoveil with pretrained weights and a candidate catalogue.
Authors: NVIDIA, :, Aditi, Niket Agarwal, Arslan Ali, Jon Allen, Martin Antolini, Adeline Aubame, Alisson Azzolini, Junjie Bai, Maciej Bala, Yogesh Balaji, Josh Bapst, Aarti Basant, Mukesh Beladiya, Mohammad Qazim Bhat, Zaid Pervaiz Bhat, Dan Blick, Vanni Brighella, Han Cai, Tiffany Cai, Eric Cameracci, Jiaxin Cao, Yulong Cao, Mark Carlson, Carlos Casanova, Ting-Yun Chang, Yan Chang, Yu-Wei Chao, Prithvijit Chattopadhyay, Roshan Chaudhari, Chieh-Yun Chen, Junyu Chen, Ke Chen, Qizhi Chen, Wenkai Chen, Xiaotong Chen, Yu Chen, An-Chieh Cheng, Click Cheng, Xiu Chia, Jeana Choi, Chaeyeon Chung, Wenyan Cong, Yin Cui, Magdalena Dadela, Nalin Dadhich, Wenliang Dai, Joyjit Daw, Alperen Degirmenci, Rodrigo Vieira Del Monte, Robert Denomme, Sameer Dharur, Marco Di Lucca, Ke Ding, Wenhao Ding, Yifan Ding, Yuzhu Dong, Nicole Drumheller, Yilun Du, Aigul Dzhumamuratova, Aleksandr Efitorov, Hamid Eghbalzadeh, Naomi Eigbe, Imad El Hanafi, Hassan Eslami, Benedikt Falk, Jiaojiao Fan, Jim Fan, Amol Fasale, Sergiy Fefilatyev, Liang Feng, Francesco Ferroni, Sanja Fidler, Xiao Fu, Vikram Fugro, Prashant Gaikwad, TJ Galda, Katelyn Gao, Yihuai Gao, Wenhang Ge, Sreyan Ghosh, Arushi Goel, Vivek Goel, Akash Gokul, Rama Govindaraju, Jinwei Gu, Miguel Guerrero, Elfie Guo, Aryaman Gupta, Siddharth Gururani, Hugo Hadfield, Song Han, Ankur Handa, Zekun Hao, Mohammad Harrim, Ali Hassani, Nathan Hayes-Roth, Yufan He, Chris Helvig, Cyrus Hogg, Madison Huang, Michael Huang, Sophia Huang, Yufan Huang, Jacob Huffman, DeLesley Hutchins, Suneel Indupuru, Boris Ivanovic, Arihant Jain, Joel Jang, Ryan Ji, Yanan Jian, Dongfu Jiang, Jingyi Jin, Atharva Joshi, Nikhilesh Joshi, Pranjali Joshi, Andy Ju, Jaehun Jung, Weiwei Kang, Scott Kassekert, Jan Kautz, Ashna Khetan, Julia Kiczka, Slawek Kierat, Gwanghyun Kim, Kuno Kim, Sunny Kim, Kezhi Kong, Xin Kong, Zhifeng Kong, Tomasz Kornuta, Egor Krivov, Hui Kuang, Saurav Kumar, Chia-Wen Kuo, George Kurian, Wojciech Kutak, JF Lafleche, Himangshu Lahkar, Omar Laymoun, Jayjun Lee, Sanggil Lee, Gabriele Leone, Boyi Li, Freya Li, Jiajun Li, Jinfeng Li, Ling Li, Pengcheng Li, Shangru Li, Tingle Li, Xiaolong Li, Xuan Li, Zhaoshuo Li, Zhiqi Li, Hao Liang, Maosheng Liao, Chen-Hsuan Lin, Tsung-Yi Lin, Ming-Yu Liu, Sifei Liu, Zihan Liu, Hai Loc Lu, Xiangyu Lu, Alice Luo, Ruipu Luo, Wenjie Luo, Jiangran Lyu, Martin Ding Ma, Nic Ma, Qianli Ma, Dawid Majchrowski, Louis Marcoux, Miguel Martin, Qing Miao, Ashkan Mirzaei, Shreyas Misra, Kaichun Mo, Durra Mohsin, Hyejin Moon, Pawel Morkisz, Saeid Motiian, Kirill Motkov, Seungjun Nah, Yashraj Narang, Deepak Narayanan, Thabang Ngazimbi, Julian Ouyang, Shubham Pachori, David Page, Yatian Pang, Sehwi Park, Mahesh Patekar, Mostofa Patwary, Marco Pavone, Trung Pham, Wei Ping, Soha Pouya, Shrimai Prabhumoye, Varun Praveen, Delin Qu, Hesam Rabeti, Morteza Ramezanali, Marilyn Reeb, Xuanchi Ren, Kristen Rumley, Wojciech Rymer, Jun Saito, Yeongho Seol, John Shao, Piyush Shekdar, Tianwei Shen, Humphrey Shi, Min Shi, Stella Shi, Kevin Shih, Mohammad Shoeybi, Mateusz Sieniawski, Shuran Song, Alexander Sotelo, Amir Sotoodeh, Sunil Srinivasa, Vignesh Srinivasakumar, Bartosz Stefaniak, Rahul Heinrich Steiger, Shangkun Sun, Jiaxiang Tang, Shitao Tang, Yangyang Tang, Yue Tang, Tolou Tavakkoli, Kayley Ting, Krzysztof Tomala, Wei-Cheng Tseng, Jibin Varghese, Sergei Vasilev, Thomas Volk, Raju Wagwani, Roger Waleffe, Andrew Z. Wang, Boxiang Wang, Haoxiang Wang, Qiao Wang, Shihao Wang, Shijie Wang, Ting-Chun Wang, Yan Wang, Yu Wang, Rohit Watve, David Wehr, Fangyin Wei, Xinshuo Weng, Jay Zhangjie Wu, Kedi Wu, Hongchi Xia, Summer Xiao, Tianjun Xiao, Kevin Xie, Daguang Xu, Jiashu Xu, Mengyao Xu, Ruqing Xu, Xingqian Xu, Yao Xu, Dinghao Yang, Dong Yang, Hans Yang, Xiaodong Yang, Xuning Yang, Yichu Yang, Yurong You, Zhiding Yu, Hao Yuan, Simon Yuen, Xiaohui Zeng, Pengcuo Zeren, Cindy Zha, Haotian Zhang, Jenny Zhang, Jing Zhang, Liangkai Zhang, Paris Zhang, Shun Zhang, Xuanmeng Zhang, Zhizheng Zhang, Ann Zhao, Yilin Zhao, Yuliya Zhautouskaya, Charles Zhou, Fengzhe Zhou, Shilin Zhu, Yuke Zhu, Dima Zhylko, Artur Zolkowski
Abstract: We introduce Cosmos 3, a family of omnimodal world models designed to jointly process and generate language, image, video, audio, and action sequences within a unified mixture-of-transformers architecture. By supporting highly flexible input-output configurations, Cosmos 3 seamlessly unifies critical modalities for Physical AI -- effectively subsuming vision-language models, video generators, world simulators, and world-action models into a single framework. Our evaluation demonstrates that Cosmos 3 establishes a new state-of-the-art across a diverse suite of understanding and generation tasks, demonstrating omnimodal world models as scalable, general-purpose backbones for embodied agents. Our post-trained Cosmos 3 models were ranked as the best open-source Text-to-Image and Image-to-Video models by Artificial Analysis, and the best policy model by RoboArena at the time the technical report was written. To accelerate open research and deployment in Physical AI, we make our code, model checkpoints, curated synthetic datasets, and evaluation benchmark available under the Linux Foundation's OpenMDW-1.1 License at https://github.com/nvidia/cosmos and https://huggingface.co/collections/nvidia/cosmos3. The project website is available at https://research.nvidia.com/labs/cosmos-lab/cosmos3.
URLs: https://github.com/nvidia/cosmos, https://huggingface.co/collections/nvidia/cosmos3., https://research.nvidia.com/labs/cosmos-lab/cosmos3.
Authors: Yidi Zhouluo
Abstract: Modern deep neural networks usually have large parameter scales and nonlinear hierarchical structures, and they have achieved strong performance in computer vision. However, the source of their generalization performance remains difficult to explain using traditional statistical learning theory. Among the factors that may affect visual generalization, data scale, model complexity, and input modalities are fundamental and controllable variables. This study empirically analyzes how these three factors influence model generalization performance. Specifically, in a preliminary experiment, we construct a one-dimensional nonlinear function and vary the number of training samples and the polynomial degree to observe the effects of data scale and model complexity on model performance. In the main experiments, we compare model performance on CIFAR-10 and CIFAR-100 under different training data scales, model architectures, and input modalities. The experimental results show that increasing the training data scale consistently improves generalization performance, whereas changes in model complexity do not provide stable gains. In addition, removing color information degrades model performance, while explicit prior features such as gradients, edges, and wavelets have inconsistent effects across different model architectures. Overall, this study provides an empirical analysis of the relationships among data scale, model complexity, input modalities, and visual generalization performance. Code and experimental logs are available at: https://github.com/YidiZhouluo/DeepLearning-Empirical-Studies/tree/main/Exp_01.
URLs: https://github.com/YidiZhouluo/DeepLearning-Empirical-Studies/tree/main/Exp_01.
Authors: Edward Y. Chang
Abstract: Many current agentic systems and LLM pipelines correct mistakes by optimizing outcome reward. This addresses only the what of failure: when an outcome diverges from prediction, the why and when of the mismatch are not systematically logged, reviewed, or corrected, so the same error can recur episode after episode. We argue that this is a structural problem, not merely a model-capacity one. We propose long-horizon temporal regret as a first-class objective alongside outcome regret and epistemic regret over the working causal model. Temporal regret captures when failure persists: how long a miscalibrated causal model is tolerated before correction. Epistemic regret captures why failure persists: residual uncertainty or error in the working causal model. Together, the three regrets give a falsifiable account of what, why, and when a long-lived agent can fail. Modeling the agent as a stream of E episodes, we prove three conditional results under explicit causal-probing, persistence, and detectability assumptions. First, under observationally equivalent confounding, outcome-only learning cannot distinguish causal from spurious structure without an intervention channel, so temporal miscalibration can persist linearly even after outcome regret is driven to zero. Second, with a persistent causal log and budgeted probes, total probe complexity is logarithmic in the episode horizon, inducing O(log E) temporal regret. Third, under K detectable change-points, the rate extends to O(K log E). We instantiate Trivium and pre-register five falsifiable predictions. On CausalBench-Seq, Trivium follows the predicted logarithmic envelope while outcome-only baselines grow linearly. A pilot real-LLM stream provides preliminary external-validity evidence across one full E = 500 run and three E = 100 frontier-model pilots. Self-learning here means revising an external causal model, not retraining LLM weights.
Authors: Yuhang Wu, Assaf Zeevi
Abstract: On a platform with many sellers, should a pricing algorithm explicitly model competitors' prices when learning demand? Classical learning arguments suggest an affirmative answer: ignoring competitors induces model misspecification and inefficiency. In contrast, recent work on algorithmic collusion suggests that strategic obliviousness -- deliberately ignoring competitor prices -- may facilitate collusive outcomes and improve profits. We study this modeling choice in a stylized competitive market with unknown noisy demand, in which multiple sellers repeatedly set prices and estimate demand via iterated least squares, and either incorporate competitors' prices into their demand models (informed) or ignore them (oblivious). We first show that, relative to a monopolist, an oblivious seller in a competitive market must explore more aggressively to compensate for the loss of dynamic competitor information. Building on this insight, we characterize market dynamics when all sellers are oblivious and show that prices converge to the competitive outcome under sufficient exploration, while a continuum of pseudo-equilibria arises when exploration decays. Analyzing the resulting price trajectories, we uncover an excursion phenomenon that gives rise to transient collusive patterns that dissipate as learning progresses. In markets with both oblivious and informed sellers, the informed strictly out-earn the oblivious. Read as a strategy game, the modeling choice has a unique Nash equilibrium: the all-informed market, in which prices converge to the competitive outcome efficiently. Overall, our results indicate that collusive patterns are not robust and are not sustained by oblivious modeling; therefore, incorporating competitor information, together with sufficient price exploration, remains a reliable strategy for sellers in competitive markets.
Authors: Yuze Gao
Abstract: Reinforcement learning from verifiable rewards (RLVR) improves reasoning even when the reward signal is spurious -- assigning credit to the group-plurality answer rather than a ground-truth verifier. Practitioners commonly interpret naive = acc(TRUE) - acc(RANDOM) as the reward-design effect. We prove this estimand is systematically biased: it conflates self-consistency elicitation (sharpening the policy toward its modal answer via majority pseudo-reward) with genuine reward-design signal. Using a controlled tabular-GRPO simulator we derive an exact telescoping decomposition total = null + elicit + rd and measure each term across five prior-strength levels. The reward-design fraction of the naive estimator ranges from 0.139 at weak prior (ps=0.20) to 0.05 at strong prior (ps=0.80), with the elicitation term flipping sign at the self-consistency crossover. A pre-registered 2x2x2 factorial confirms non-additivity (interaction ratio 0.385; AxC effect -0.089). A points-vs-bounds pilot gate shows strong-prior regimes are point-identified while near-crossover regimes are only bounded. Re-audits of two named published results yield ELICITATION DOMINATED (elicitation share 0.98) and REWARD DESIGN DOMINATED (rd share 1.18) verdicts respectively, demonstrating the diagnostic value of the partition. We pre-commit to submit regardless of flip outcome; a non-flip is a finding of equal standing. We release a reusable one-command harness for any alignment paper to run the same audit.
Authors: Tengfei Zhang, Ziheng Zhao, Xiaoman Zhang, Lisong Dai, Pengcheng Qiu, Ya Zhang, Yanfeng Wang, Weidi Xie
Abstract: Medical imaging artificial intelligence has achieved strong performance in isolated image interpretation, but remains poorly aligned with radiological practice, where diagnosis and follow-up rely on comparison across prior studies and analogous reference cases. Here we formulate radiological comparison as an entity-aware cross-image reasoning problem and introduce a framework that supports both reference-case retrieval and temporal comparative interpretation. We construct MedReCo-DB, a large-scale comparative imaging resource derived from routine image-report pairs, comprising more than 690,000 images from over 160,000 patients across eight institutions, four countries and seven imaging modalities. Reports are decomposed into anatomical structures, abnormal findings and pathological conditions to provide supervision for entity-conditioned retrieval and comparative visual question answering. Using this resource, we develop MedReCo, an entity-aware visual encoder for controllable retrieval of clinically analogous cases, and MedReCo-VLM, a vision--language extension for generative interpretation of interval change. Across internal, external and cross-center evaluations, MedReCo achieved the highest Recall@1 in all 12 internal retrieval settings and improved external retrieval by a mean of 6.0 percentage points. In clinically confusable differential groups, it consistently outperformed the strongest baselines. MedReCo-VLM achieved the best performance across all comparative generation evaluations and improved longitudinal follow-up accuracy by 14.5-46.5 percentage points on chest radiographs and 13.0-27.9 percentage points on CT. These findings suggest that entity-aware comparative reasoning can be learned from routine clinical data at scale and may provide a more clinically aligned foundation for medical imaging AI.
Authors: Lizhi Yang, Junheng Li, Nehar Poddar, Yiling Hou, Gio Huh, Robert Griffin, Georgia Gkioxari, Aaron Ames
Abstract: For a humanoid robot to be deployed in the real world, the choice of command space (i.e., the interface between task planning and whole-body control) is crucial. Existing whole-body controllers typically demand dense kinematic or spatial references that planners struggle to synthesize from task semantics. We instead propose a compact, explicit interface that is intuitive, general, modular, and expressive enough for diverse loco-manipulation skills. To this end, we introduce HANDOFF, a single humanoid whole-body controller that follows this interface and is distilled via multi-teacher KL distillation under a context-conditioned gating scheme into a mixture-of-experts student from three complementary specialists: whole-body motion tracking with safety-filtered data, locomotion, and fall-recovery. On the Unitree G1, HANDOFF matches state-of-the-art velocity tracking and offers one of the largest robust manipulation workspaces. We further demonstrate hardware feasibility through multiple natural-language-driven task roll-outs, powered by a VLM-driven agentic planner with no task-specific data or controller fine-tuning.
Authors: Ovishake Sen, Venkata Nithin Kamineni, Daniel Lobo, Swarup Bhunia, Rickard Ewetz, Baibhab Chatterjee
Abstract: Energy-efficient neural-network inference at the edge requires reducing arithmetic cost, memory traffic, computation energy, and storage overhead while maintaining acceptable accuracy. This paper presents an ablation-focused study of NVFP4 quantization for edge-efficient neural networks, with emphasis on the relationship between activation precision, weight precision, block-size scaling, retraining, and model accuracy. NVFP4 activations are represented using 4-bit FP4 data, an FP8 block scale, and an FP32 tensor scale, enabling ultra-low precision inference while preserving activation dynamic range. A block-size ablation over six edge-efficient models shows that block size B = 16 provides a practical accuracy/storage trade-off, requiring only 4.5078 bits per input for N = 4096. A weight precision ablation further shows that FP8 and FP16 weights provide only modest gains over FP4 weights under the same NVFP4 activation path, suggesting that activation quantization and scaling dominate much of the accuracy behavior. To isolate the benefit of the NVFP4 data type, this work compares conventional unscaled FP4 activation inference and NVFP4 activation inference with and without retraining. The results show that conventional FP4 inference collapses accuracy for most compact models, while NVFP4 without retraining already recovers substantial accuracy by restoring activation dynamic range through FP8 block scaling and FP32 tensor scaling. When combined with retraining, NVFP4 achieves the best accuracy across the evaluated models, demonstrating the effectiveness of scaling-aware FP4 (NVFP4) inference. These findings provide general design guidance for hardware-software co-design of low power edge inference across a broad range of accelerator platforms, including GPUs, Tensor Cores, FPGAs, domain-specific AI accelerators, near-memory computing systems, and emerging edge-computing architectures.
Authors: Vladislav Smirnov, Chieu Nguyen, Sergey Senichev, Minh Ngoc Ta, Ekaterina Fadeeva, Artem Vazhentsev, Daria Galimzianova, Nikolai Rozanov, Viktor Mazanov, Jingwei Ni, Tianyi Wu, Igor Kiselev, Mrinmaya Sachan, Iryna Gurevych, Preslav Nakov, Timothy Baldwin, Artem Shelmanov
Abstract: Test-time compute (TTC) scaling has emerged as a powerful paradigm for improving large language model (LLM) reasoning by allocating additional compute during inference, e.g., via multi-sample generation and verifier-based reranking. Existing TTC scaling strategies and reasoning scorers remain fragmented, evaluated under inconsistent protocols, and are rarely analyzed through the lens of quality-cost trade-offs. We introduce ThinkBooster, a unified framework for seamless test-time compute scaling of LLM reasoning, which consists of (i) a modular Python library implementing state-of-the-art TTC scaling strategy and scorer families, (ii) a benchmark that jointly evaluates performance and computational efficiency, and (iii) a deployable OpenAI-compatible proxy service that enables drop-in integration of adaptive reasoning into real-world applications. We further provide a demo visual debugger for inspecting the reasoning trajectories, intermediate selection decisions, and alternative reasoning paths. Empirical results on mathematical and coding tasks reveal the performance-compute trade-offs of TTC scaling strategies and scoring methods and demonstrate that ThinkBooster provides practical gains in real-world tasks. The code is available online under an MIT license.
Authors: Ambuj Mehrish, Sebastiano Vascon
Abstract: Long, multimodal documents force retrieval-augmented systems to assemble answers from evidence fragmented across text, tables, and slides broken across cells in a long table, spread over multiple slides, or split between a figure and its discussion. Top-$k$ chunk retrieval treats each fragment independently and cannot represent how evidence connects. We introduce FLOWREADER, which reframes evidence assembly as a min-cost flow problem on a multimodal node graph: a single scoring vector $h$ controls source selection (via MMR), sink selection (via a length-aware answerability proxy), and the costs and capacities of every edge. The optimal flow is decomposed into candidate evidence paths, a compact non-redundant subset is selected by entropy-regularized replicator dynamics, and parallel VLM workers under a dual-process gate produce the answer with a single System-2 refinement pass triggered when answer consistency is low or the routed flow is strained. On VisDoMBench, FLOWREADER is best on the two subsets dominated by fragmented evidence PaperTab ($58.40$, $+1.30$ over G^{2}-Reader) and SlideVQA ($72.93$, $+0.62$) and competitive on SPIQA, FetaTab, and SciGraphQA. Macro-averaged across all five subsets, FLOWREADER ($65.47$) is within $0.74$ of the strongest baseline (G^{2}-Reader, $66.21$). Overall, these results show that min-cost flow performs well on fragmented multimodal evidence, where top-$k$ retrieval fails. It also provides a unified way to control scoring, routing, selection, and adaptive compute together.