Authors: Danny Butvinik (NICE Actimize), Yonit Marcus (NICE Actimize), Nitzan Tal (NICE Actimize), Gabrielle Azoulay (NICE Actimize)
Abstract: We introduce the Temporal Contrastive Transformer (TCT), a representation learning framework designed to capture contextual temporal dynamics in sequences of financial transactions. The model is trained using a self-supervised contrastive objective to produce embeddings that encode behavioral patterns over time, with the goal of supporting downstream fraud detection tasks. We evaluate TCT in a realistic setting by using the learned embeddings as input features to a gradient boosting classifier. Experimental results show that embeddings alone achieve meaningful predictive performance (AUC 0.8644), indicating that the model captures non-trivial temporal structure. However, when combined with domain-engineered features, no measurable improvement is observed over the baseline (AUC 0.9205 vs. 0.9245), suggesting that the learned representations largely overlap with existing feature abstractions. These findings position TCT as a promising representation learning approach that captures relevant behavioral signal, while highlighting the challenges of achieving additive value over strong domain features. The results reflect an intermediate stage in the development of temporal representation learning for financial crime detection and motivate further research on model architecture, training objectives, and integration strategies. At this early stage, achieving performance comparable to a strong feature-engineered baseline is itself a meaningful outcome, indicating that learned representations approximate domain-specific features without manual engineering. While not yet production-ready, these results point to a promising direction for reducing reliance on feature engineering in financial crime detection.
Authors: Srujan P Mule, Aniketh Garikaparthi, Manasi Patwardhan
Abstract: As language models accelerate scientific research by automating hypothesis generation and implementation, a new bottleneck emerges: evaluating and filtering hundreds of AI-generated ideas without exhaustive experimentation. We ask whether LMs can learn to forecast the empirical success of research ideas before any experiments are run. We study comparative empirical forecasting: given a benchmark-specific research goal and two candidate ideas, predict which will achieve better benchmark performance. We construct a dataset of 11,488 idea pairs grounded in objective outcomes from PapersWithCode. While off-the-shelf 8B-parameter models struggle (30% acc.), SFT dramatically boosts performance to 77.1%, outperforming GPT-5 (61.1%). By framing evaluation as a reasoning task via Reinforcement Learning with Verifiable Rewards (RLVR), we train models to discover latent reasoning paths, achieving 71.35% acc. with interpretable justifications. Through additional ablations and out-of-distribution tests, we show robustness to surface-level heuristics and transfer to both a cross-domain time-split test set and an independently constructed test set. Our results demonstrate that compute-efficient small language models can serve as effective, objective verifiers, offering a scalable path for autonomous scientific discovery.
Authors: Drake Caraker, Bryan Arnold, David Rhoads
Abstract: No feature ranking can be simultaneously faithful, stable, and complete when features are collinear. For collinear pairs, ranking reduces to a coin flip. We prove this impossibility, quantify it for four model classes, resolve it via ensemble averaging (DASH), and machine-verify it with 305 Lean 4 theorems. We characterize the complete attribution design space: exactly two families of methods exist -- faithful-complete methods (unstable, with rankings that flip up to 50% of the time) and ensemble methods like DASH (stable, reporting ties for symmetric features) -- and no method lies outside this dichotomy. The impossibility is quantitative: the attribution ratio diverges as 1/(1-rho^2) for gradient boosting, is infinite for Lasso, and converges for random forests. DASH (Diversified Aggregation of SHAP) is provably Pareto-optimal among unbiased aggregations, achieving the Cramer-Rao variance bound with a tight ensemble size formula. In a survey of 77 public datasets, 68% exhibit attribution instability. Switching to conditional SHAP does not escape the impossibility when features have equal causal effects. The framework includes practical diagnostics -- a Z-test workflow and single-model screening tool -- and has direct consequences for fairness auditing: SHAP-based proxy discrimination audits are provably unreliable under collinearity. The design space theorem, diagnostics, and impossibility are mechanically verified in Lean 4 (305 theorems from 16 axioms, 0 sorry) -- to our knowledge, the first formally verified impossibility in explainable AI.
Authors: Rahul D Ray
Abstract: The ability to detect out-of-distribution (OOD) inputs is fundamental to safe deployment of machine learning systems. Yet, current methods often rely on feature representations that are optimised solely for classification accuracy, neglecting the distinct requirements of epistemic uncertainty. We introduce GOEN (Geometry-Optimised Epistemic Network), a simple pipeline that combines multi-scale features, L2 normalisation, Mahalanobis distance, and a calibration head trained with real hard OOD examples. Through systematic ablation we uncover a counter-intuitive finding: CenterLoss, a popular regulariser for feature compactness, significantly degrades OOD detection performance, reducing average OOD AUROC from 0.9483 to 0.9366 despite improving classification accuracy. The best variant, GOEN-NoCenterLoss, achieves an average OOD AUROC of 0.9483, surpassing all baselines including deep ensembles (0.8827), KNN (0.8967), and ODIN (0.8870) on CIFAR-10 benchmarks, while maintaining competitive in-distribution accuracy. Our results challenge the prevailing assumption that better classification geometry automatically leads to better epistemic uncertainty. Instead, we show that overly tight feature clusters compress inter-class margins and distort the covariance structure needed for effective OOD detection. GOEN is efficient, training in under 20 minutes on a single GPU, and provides a practical blueprint for building AI systems that reliably recognise their own limitations.
Authors: Tino Werner
Abstract: Overparametrized models can exhibit an excellent generalization performance, although they should be prone to overfitting according to classical statistical theory. The discovery of the "double descent", indicating that the generalization error decreases after a certain model complexity has been reached, opened a new line of research. Robust statistics considers statistical estimation on contaminated data, which, due to assumptions that do not hold on real data, let data points appear as outliers w.r.t. the assumed "ideal" distribution, potentially severely distorting any classical estimator. We address the question whether a double descent phenomenon can be observed in a linear regression setting with contaminated training data. We compare the performance of the highly non-robust least-squares interpolation estimator with several robust alternatives. It turns out that large overparametrization indeed allows for a double descent phenomenon, resulting in a very good generalization performance of the least-squares interpolator, surpassing that of the robust alternatives.
Authors: Brandon Dent
Abstract: Frontier language models are being deployed into clinical workflows faster than the infrastructure to evaluate them safely. Static medical-QA benchmarks miss the failure modes that matter in emergency medicine: trajectory-level safety collapse, tool misuse, and capitulation under sustained clinical pressure. We present HealthCraft, the first public reinforcement-learning environment that rewards trajectory-level safety under realistic emergency-medicine conditions, adapted from Corecraft. It is built on a FHIR R4 world state with 14 entity types and 3,987 seed entities, exposes 24 MCP tools, and defines a dual-layer rubric that zeroes reward whenever any safety-critical criterion is violated. We release 195 tasks across six categories, graded against 2,255 binary criteria (515 safety-critical); a post-hoc 10-task negative-class slate extends this to 205 tasks and 2,337 criteria. V8 results on two frontier models show Claude Opus 4.6 at Pass@1 24.8% [21.5-28.4] and GPT-5.4 at 12.6% [10.2-15.6], with safety-failure rates of 27.5% and 34.0%. On multi-step workflows - the closest proxy to real emergency care - performance collapses to near zero (Claude 1.0%, GPT-5.4 0.0%) despite partial competence on individual steps. Six infrastructure bugs fixed between pilots v2 and v8 re-ordered which model "looks stronger," evidence that infrastructure fidelity is part of the measurement. A deterministic LLM-judge overlay bounds evaluator noise, and a 60-run negative-class smoke pilot shows the reward signal is not drop-in training-safe: restraint criteria pass at 0.929 prevalence, a gameability an eval harness can tolerate but a training reward cannot. We scaffold coupling to a Megatron+SGLang+GRPO loop per Corecraft Section 5.2 and leave training-reward ablations as future work. Environment, tasks, rubrics, and harness are released under Apache 2.0.
Authors: Chengqi Zheng, Keya Hu, Shuzhi Liu, Tao Wu, Kevin Ellis, Yewen Pu
Abstract: LLM prompting is widely used for naturally stated tasks, yet it is unreliable it may succeed on a few test cases but fail at deployment time. We study performance prediction: given a program, either symbolic (e.g. Python) or a prompt executed on an LLM, and a few in-domain examples, predict its performance on unseen tasks from the same domain. We use a simple coin-flip model, treating each pass/fail program execution as a Bernoulli random variable, whose success probability is the programs unknown performance. In this model, performance depends entirely on: 1) the observed execution outcomes on test cases, and 2) a prior over performances. We compile empirical performance priors from a corpus of diverse programs and tasks, and find that performance for symbolic programs (e.g., Python) are all or nothing, while prompt programs have a diffuse prior with many nearly-correct programs. This difference explains why a few passing tests can certify symbolic programs but not prompt programs. Building on this insight, we develop RAP (Retrieved Approximate Prior), which retrieves similar tasks and prompt programs from an existing corpus to construct a proxy prior, which is then used to predict performance. We show RAP achieves solid performances.
Authors: Boyuan Wang, Bochao Li, Minghan Wang, Yuxin Tao, Fang Kong
Abstract: Harness engineering has emerged as an important inference-time technique for large language model (LLM) agents, aiming to improve long-term performance through task decomposition and guided execution. However, more elaborate harnesses are not uniformly better: increasing decomposition or guidance can sometimes improve execution, but can also reduce final task success. We study harness design through the lens of inference-time trajectory alignment. This perspective separates harness into two mechanisms: task decomposition, which structures a task into sub-goals, and guided execution, which reshapes local action distributions during execution. This decomposition allows us to quantify how workflow granularity, retry budgets, and guidance-induced action reweighting shape the performance limits of harness design. It further reveals concrete failure modes, including over-decomposition, over-pruning, and hallucinated execution. We validate these predictions through controlled synthetic experiments and real terminal agent benchmarks. Inspired by the theory, we further show that effective harnesses can be partial: specifying only the initial steps and leaving the remaining execution to agent can achieve higher pass rate than fully structured workflows.
Authors: Rui Huang, Lican Huang
Abstract: Accurate and reproducible disease risk prediction remains challenging due to heterogeneous features, limited samples, and severe class imbalance. This study introduces yvsoucom-iterkit, a deterministic and log-driven automated machine learning framework that formulates pipeline optimization as a fully reproducible, configuration-level system. Each pipeline is encoded as a traceable log entity, enabling analysis of component attribution, interactions, similarity, and cross-seed robustness. Experiments on the Pima Indians Diabetes and Stroke datasets across more than 18,000 pipeline configurations reveal a structured and partially redundant search space, where performance is governed by a small subset of interacting components. Random Forest importance analysis identifies augmentation (0.454), model choice (0.198), and imbalance handling (0.101) as key drivers on Pima, while imbalance handling dominates Stroke (0.406). Component similarity analysis shows strong redundancy, with feature selection variants (biMax-biMean) exhibiting low RMS distance (0.0252), mixup closely matching no augmentation (0.0279), and TomekLinks aligning with no imbalance handling (0.0325), whereas Gaussian noise shows greater divergence from no augmentation (0.10). The framework achieves strong and stable performance using ensemble models (Weighted-F1 0.89, Macro-F1 0.88 on Pima; Weighted-F1 0.94 on Stroke), while Macro-F1 remains lower on Stroke (0.67) due to class imbalance. Cross-seed analysis reveals a performance-robustness trade-off, with ensembles showing lower variability (0.023-0.026) than SVM. These results indicate that effective AutoML optimization can focus on a reduced set of high-impact components.
Authors: Xuyang Zhong, Qizhang Li, Yiwen Guo, Chen Liu
Abstract: We propose DualOptim+, a novel optimization framework for improving machine unlearning in large language models. It introduces a base state to capture common representations shared by forgetting and retaining objectives and delta states to preserve objective-specific residuals. This architecture allows the optimizer to adaptively bridge shared and decoupled states based on the directional conflict between forgetting and retaining gradients. We further introduce DualOptim+ 8bit, a quantized variant that reduces memory overhead without compromising performance. Extensive experiments across fictitious and real-world unlearning, safety alignment, and multi-task learning tasks demonstrate that DualOptim+ consistently achieves a superior trade-off between different objectives. Codes are available at https://github.com/CityU-MLO/DualOptimPlus.
Authors: Andi Xu
Abstract: Country-level temporal panels are widely used in empirical analysis. Researchers often need to audit how different entities respond to historical signals over different time horizons. Current approaches typically do not provide directly auditable entity-specific lag summaries. We formulate entity-conditioned heterogeneous lag discovery as a temporal panel mining task and propose AC-GATE, an Adaptive-Conditioning Encoder with a Scale-Invariant Lag Gate. It instantiates conditional Moderated Distributed Lag by using observable entity-level proxies to condition lag-weight distributions over historical observations, thereby making effective lags structural outputs of the model rather than post-hoc explanations. The evaluation is based on a layered audit protocol that separates predictive calibration from lag discovery. A synthetic panel with known ground-truth lags is used for mechanism recovery testing, and two real-world country-level panels are used for external audit and stress testing. The results show that AC-GATE can recover heterogeneous lag structure in synthetic data, and generates non-degenerate, externally structured effective lags in real data.
Authors: Zhenlong Liu, Hao Zeng, Hongxin Wei
Abstract: Benchmark data contamination has become a central challenge in LLM evaluation: when evaluation examples appear in the training data of one or more audited models, reported performance can be inflated and cross-model comparisons become unreliable. A broad line of training-data detection work designs scores to quantify how strongly a model memorizes a given data point, but these score-based methods lack theoretical guarantees. Recent conformal approaches provide provable false-identification control for a single model; however, applying them separately to each model can produce model-specific benchmarks, undermining fair comparison across models. In this work, we formalize multi-model benchmark decontamination as a joint selection problem and propose Joint Envelope Conformal Selection (JECS), a conformal procedure that enables global contamination rate (GCR) control under stated assumptions. Specifically, JECS computes per-model conformal p-values, aggregates them by the per-item maximum, and reconstructs a conservative envelope of the max-p null distribution from right-tail observations above a data-driven threshold. By applying the adaptive Benjamini-Hochberg (BH) procedure to the envelope-rescaled values, we select a benchmark with provable GCR control. Extensive experiments across various models and benchmarks demonstrate that JECS achieves higher power than the max-p baseline while consistently maintaining the target GCR control.
Authors: Robin Reiter, Denis Cornet, Fabien Michel, Lauriane Rouan, Gregory Beurier
Abstract: Near-infrared spectroscopy is increasingly used as a rapid, non-destructive chemical sensing technology for the analysis of food, pharmaceutical, biological, and environmental samples. However, the practical deployment of NIR sensors still depends on calibration models able to handle high-dimensional, collinear spectra, limited sample sizes, preprocessing dependence, spectral outliers, and extrapolation beyond the calibration domain. Here, we evaluate whether tabular foundation models can provide a new calibration strategy for NIR chemical sensing. We benchmark TabPFN on 66 NIR datasets covering 54 regression and 12 classification tasks, and compare direct inference on raw spectra with preprocessing-optimized inference against PLS/PLS-DA, Ridge, Catboost, and one-dimensional convolutional neural networks. The study uses a unified validation framework in which preprocessing and model selection are performed exclusively on calibration data before external test evaluation. In regression, preprocessing-optimized TabPFN achieves the best overall average rank and significantly outperforms PLS, CatBoost, TabPFN on raw spectra, and CNN-1D, while remaining statistically comparable to Ridge. In classification, TabPFN applied directly to raw spectra provides the best average rank, with performance close to the optimized variant. Robustness analyses show that TabPFN provides strong average predictive performance but that its advantage decreases on spectral outliers and extrapolated samples, where classical chemometric models remain competitive. These results suggest that tabular foundation models can complement established chemometric workflows for NIR chemical sensing, especially in small- to medium-sized calibration settings, while highlighting the need for spectroscopy-specific priors and uncertainty-aware deployment strategies.
Authors: Wangzhi Yu, Peng Zhu, Qing Zhao, Yiwen Jiang, Dawei Cheng
Abstract: Electricity load peak forecasting (ELPF), simultaneously predicting peak timing and intensity, is a prerequisite for effective grid scheduling and risk management. However, existing methods face three limitations. First, they adopt a two-stage predict-then-locate paradigm, which severs the link between temporal localization and intensity regression. Second, they still struggle with the multi-scale representation conflict, leading to peak misjudgment and timing misalignment. Third, the lack of explicit peak timing context during intensity regression causes intensity smoothing because predictions are dominated by global smoothing trends. To address these limitations, we propose PeakFocus, a unified framework for ELPF. (i) A Unified Peak-Aware Pipeline (UPAP) utilizes a triple hybrid loss to jointly supervise temporal localization and intensity regression, alongside a tolerance-based evaluation protocol. (ii) A Multi-Scale Mixing Peak Locator (MSM-PL) exploits coarse-grained features to mitigate peak misjudgment caused by local fluctuations, and injects them into fine-grained features via a cascade mechanism to resolve timing misalignment. (iii) A Location-Aware Decoder (LAD) injects peak timing context into the intensity regression process, providing explicit guidance to counteract intensity smoothing and improve peak intensity estimation. Extensive experiments on the public Electricity (ELC) dataset and our industrial-scale World Large-scale Electricity Load (WLEL) dataset show that PeakFocus outperforms baselines in both timing precision and intensity estimation.
Authors: Jinzong Dong, Zhaohui Jiang, Bo Yang
Abstract: Confidence calibration for classification models is vital in safety-critical decision-making scenarios and has received extensive attention. General confidence calibration methods assume training and test data are independent and identically distributed, limiting their effectiveness under covariate shifts. Previous calibration methods under covariate shift struggle with class-wise or canonical calibrations and often rely on unstable importance weighting when density ratios are large or unbounded. Given the above limitations, this paper rethinks confidence calibration under covariate shifts. First, we derive a necessary and sufficient condition for confidence calibration under covariate shifts, named Expectation consistency condition, which reveals covariate shifts do not necessarily lead to uncalibrated confidence and provides a weaker condition for confidence calibration than global covariate distribution alignment. Then, utilizing Expectation consistency condition, this paper proposes an unsupervised domain adaptation loss to calibrate confidence of the target domain, named Expectation consistency loss (ECL), which is compatible with canonical calibration, class-wise calibration, and top-label calibration. Third, we prove that computing ECL loss has the same sample complexity as Expected Calibration Error (ECE) and provide a theoretically grounded mini-batch trainable scheme for ECL loss. Finally, we validate the effectiveness of our method on both simulated and real-world covariate shift datasets.
Authors: Sige Liu, Kezhi Wang
Abstract: Tokens are becoming the basic units through which foundation models represent and process information for understanding and inference. However, traditional wireless communication, centered on bit-level fidelity, faces a mismatch between what is transmitted reliably and what downstream models actually consume. This mismatch calls for a communication design that directly accounts for token-level task relevance and downstream model requirements, rather than treating all transmitted bits as equally important. In this paper, we propose TONIC, a token-centric semantic communication framework for task-oriented wireless systems. The transmitter converts each source sample into a sequence of tokens, estimates token-level task relevance, and allocates protection through utility-aware unequal error protection under a fixed channel-use budget. At the receiver, token-level confidence is used to gate unreliable decisions, turning harmful substitutions into recoverable erasures before a Transformer-based completion model restores the masked tokens for final task inference. Our framework combines transmitter-side semantic-aware protection with receiver-side confidence-aware gating in a modular and interpretable architecture, rather than relying solely on fully black-box end-to-end learning. We further establish a utility-aware Bayes-risk interpretation for the receiver-side gating rule and study its interaction with unequal protection and completion. Experimental results on image classification show that TONIC consistently outperforms separation-based schemes, the pixel-domain DeepJSCC baseline, and token-domain baselines under matched communication budgets over AWGN, Rayleigh, and Rician channels.
Authors: Zhaoqi Zhang, Jiaming Deng, Miao Xie, Linyou Cai, Qianlong Xie, Xingxing Wang, Siqiang Luo, Gao Cong
Abstract: Guaranteed display advertising is crucial for platform monetization, yet existing methods often operate under a single-slot assumption, limiting their ability to optimize allocation across multi-slot page views. In this paper, we propose a novel joint optimization framework for multi-slot GD allocation, addressing key challenges such as slot-level redundancy, contract imbalance, and exposure concentration. Our approach formulates the allocation as an offline bipartite matching problem with a contract roulette mechanism for slot exclusivity and Page View constraints for impression control, and incorporates a scalable allocation optimization algorithm for efficient large-scale deployment. Extensive online tests on the Meituan advertising platform demonstrate that our method significantly improves merchant ROI, platform revenue efficiency, and contract fulfillment robustness. Specifically, online A/B tests show a 28.99% increase in Average Revenue Per User under 70% traffic, and DID analysis further indicates improved contract stability, demonstrating the strong applicability and effectiveness of our framework in real-world advertising deployments.
Authors: Hao Chen, Qi Zhang, Liyao Li, Zhanming Shen, Wentao Ye, Lirong Gao, Ningtao Wang, Xing Fu, Xiaoyu Shen, Junbo Zhao
Abstract: Adapting Large Language Models (LLMs) to specialized domains typically incurs high data and computational overhead. While prior efficiency efforts have largely treated data selection and parameter-efficient fine-tuning as isolated processes, our empirical analysis suggests they may be intrinsically coupled. We posit the Strong Map Hypothesis: a sparse subset of attention heads plays a dominant role in task-specific adaptation, acting as keys that unlock specific data patterns. Building on this observation, we propose From Parameters to Data (P2D), a unified framework that leverages these task-sensitive attention heads as a dual compass for both sample mining and structural pruning. To rigorously quantify the total pipeline cost, we introduce the Alignment Efficiency Ratio (AER) metric for both selection latency and training time. Mechanistically, P2D identifies critical heads via a lightweight proxy and uses them as a functional filter to curate high-affinity data, establishing a synergistic pipeline. Empirically, by updating merely 10% of attention heads on 10% of the data, P2D achieves an 8.3 pp performance gain over strong baselines and delivers a 7.0x end-to-end time speedup. These results validate that precise parameter-data synchronization eliminates redundancy, offering a new paradigm for efficient alignment.
Authors: Penglin Dai, Zijie Zhou, Xincao Xu, Junhua Wang, Xiao Wu, Lixin Duan
Abstract: Deploying neural networks on microcontroller units (MCUs) is critical for edge intelligence but remains challenging due to tight memory, storage, and computation constraints. Existing approaches, such as model compression and hardware-aware neural architecture search (HW-NAS), often depend on proxy metrics, incur high search cost, and do not fully bridge the gap between architecture design and verified deployment. This paper presents AutoMCU, a feasibility-first large language model (LLM)-based multi-agent system for automated neural network customization under MCU constraints. Given natural-language task requirements and hardware specifications, AutoMCU iteratively generates structured architecture candidates, filters infeasible designs through vendor toolchain feedback before training, evaluates feasible models under a controlled protocol, and verifies deployability through backend-grounded deployment analysis. AutoMCU includes two key mechanisms: 1) hardware-in-the-loop architecture generation for early elimination of undeployable candidates under RAM and Flash constraints, and 2) state-isolated multi-agent scheduling for stable coordination of proposal, training, evaluation, and deployment stages. Experiments on CIFAR-10 and CIFAR-100 under strict MCU constraints show that AutoMCU achieves competitive accuracy while reducing customization time to about 1--2 hours, compared with hundreds of GPU hours for representative MCU-oriented HW-NAS baselines. Comparisons with ColabNAS and the LLM-based NAS method GENIUS on NAS-Bench-201 further demonstrate the effectiveness and stability of AutoMCU. Real-device deployments on multiple STM32 microcontrollers validate its practical applicability to MCU-scale edge intelligence.
Authors: Mathieu Cherpitel, Thomas B\"ack, Martijn R. Tannemaat, Anna V. Kononova
Abstract: Unsupervised feature selection is commonly formulated as a multiobjective optimisation problem that jointly optimises subset quality and subset size. Yet the behaviour of this formulation depends critically on the choice of evaluation objective, the direction of subset-size regularisation, and the initialisation strategy. We study these factors in a controlled setting using a synthetic dataset with known informative, redundant, and irrelevant feature types. Six formulations are compared by combining three evaluation objectives: accuracy, silhouette score, and PCA reconstruction loss with subset-size minimisation or maximisation. The results show that formulation strongly affects both search dynamics and the quality of the resulting Pareto front. Silhouette-based formulations exhibit a strong bias toward trivial low-cardinality solutions and remain weak proxies for predictive performance. In contrast, the proposed PCA loss objective produces compact subsets with test accuracy comparable to subsets obtained by directly optimising supervised accuracy. Overall, the study shows that objective design is central to effective multiobjective unsupervised feature selection.
Authors: Fan Zhang, Simon Deltadahl, Majid Lotfian Delouee, Daniel Kreuter, Joseph Taylor, Allerdien Visser, BloodCounts Consortium, James H. F. Rudd, Nicholas S. Gleadall, Suthesh Sivapalaratnam, Folkert Asselbergs, Martijn C. Schut, Michael Roberts
Abstract: Recent reviews find that the vast majority of published healthcare federated learning (FL) studies never reach real-world deployment. We developed an embedding-based FL pipeline for iron deficiency prediction from routine full blood count (FBC) data and deployed it across real institutional environments at Amsterdam University Medical Centre (AUMC) and NHS Blood and Transplant (NHSBT), two clinical environments that differ markedly in iron deficiency prevalence, ferritin distribution, and subject populations. A frozen domain-specific haematology foundation model, DeepCBC, performs site-local representation extraction, restricting federated training to a compact downstream classifier and substantially reducing recurrent communication relative to full-encoder federation. The two clinical datasets are structurally not independent and identically distributed (non-IID), with heterogeneity arising from distinct population differences rather than sampling artefacts. Runtime governance is enforced by FLA$^3$, a healthcare-oriented FL platform providing study-scoped execution, policy-based authorisation, and signed audit logging. Standard sample-size-weighted aggregation (FedAvg) reduced the area under the receiver operating characteristic curve (ROC-AUC) at both sites relative to local-only training, as the global update was biased towards the larger AUMC distribution. FedMAP, a personalised aggregation method, raised ROC-AUC from 0.9470 to 0.9594 at AUMC and from 0.8558 to 0.8671 at NHSBT relative to local-only training, achieving the highest macro ROC-AUC of 0.9133 and the best macro balanced accuracy overall. These results support personalised aggregation in clinical federations where client sample size and task relevance diverge substantially.
Authors: Phuong-Anh Nguyen, The-Son Le, Duc-Trong Le, Cam-Van Thi Nguyen
Abstract: Multimodal Emotion Recognition in Conversations (MERC) is a crucial task for understanding human interactions, where multimodal approaches integrating language, facial expressions, and vocal tone have achieved significant progress. However, modality misalignment and imbalanced learning remain major challenges, limiting the effective utilization of multimodal information. To address this issue, we propose a plug-and-play framework based on Self-Paced Curriculum Learning (SPCL) for MERC. We introduce a dual-level Difficulty Measurer that captures both utterance-level and conversation-level challenges. The utterance-level score models fine-grained modality-specific difficulty, while the conversation-level score captures broader dialogue structures, including emotional dependencies and modality coherence. Based on these scores, the Learning Scheduler dynamically guides training from easier to more difficult instances. By integrating SPCL into existing MERC architectures, our method alleviates modality imbalance and improves model robustness. Extensive experiments on the IEMOCAP and MELD datasets demonstrate consistent improvements across different architectures and modality settings. On IEMOCAP, SPCL improves weighted F1-score by approximately +1.2% to +6.6% over baseline models, while on MELD, gains reach up to +10.4%. These results highlight the effectiveness and generalizability of SPCL as a lightweight plug-and-play module for multimodal emotion recognition.
Authors: Michael O. Eniolade
Abstract: Machine learning models for chronic kidney disease (CKD) risk prediction often post strong discrimination scores on internal test sets. Calibration and uncertainty quantification get far less attention, leaving clinicians without reliable information about whether the probability outputs are accurate. We trained five classifiers on the UCI CKD dataset (400 patients, 62.5% CKD prevalence): logistic regression, random forest, XGBoost, SVM with Platt scaling, and Gaussian naive Bayes. We evaluated each across calibration quality, conformal prediction coverage, and an eight-criterion deployment readiness framework. A distributional stress-test applied the best-calibrated variant of each model to the open-access MIMIC-IV demo cohort (97 patients, 23.7% CKD) to assess behaviour under prevalence shift and feature missingness. We measured calibration before and after Platt scaling and isotonic regression using Expected Calibration Error and Brier Score, and quantified uncertainty through split conformal prediction targeting 90% marginal coverage. All five models reached AUROC 1.00 on the UCI test set. Isotonic recalibration reduced internal ECE to 0.000-0.022. On MIMIC-IV, AUROC fell to 0.48-0.58, ECE rose to 0.68-0.76, and conformal coverage dropped from 0.80-0.98 to 0.21-0.25 against a 90% target. No model scored above 4 out of 16 on the deployment readiness checklist. Near-perfect internal performance did not transfer. Calibration stability and conformal coverage should be evaluated on external data before any clinical prediction model moves toward deployment.
Authors: Jack Kendall
Abstract: In this work, we extend the Equilibrium Propagation framework to skew-gradient systems and show an equivalence between deep Energy-Based Models and Hamiltonian neural networks. We focus on networks of diffusively coupled Fitzhugh-Nagumo neurons as a prototypical example. We show that since stationary solutions of the Fitzhugh-Nagumo model are described by self-adjoint operators, the methods of equilibrium propagation for performing credit assignment can be applied. Furthermore, for Fitzhugh-Nagumo networks with the topology of a deep residual network, we show that the steady state solutions admit a (spatial) Hamiltonian, and thus the methods of Hamiltonian Echo Backpropagation can be applied. We end by deriving an explicit layer-wise Hamiltonian recurrence relation governing inference for stationary solutions of both deep Fitzhugh-Nagumo networks and deep Energy-Based Models.
Authors: Mansoor Ahmed, Spencer VonBank, Nadeem Taj, Sujin Lee, Naila Jan, Murray Patterson
Abstract: Computational antibody CDR design methods condition on antigen structure to generate binding loops, yet existing architectures conflate two fundamentally distinct sub-problems: identifying which CDR positions will contact the antigen, and selecting amino acids at those positions. This conflation forces models to learn contact reasoning implicitly through uniform message passing, diluting antigen signal across all positions equally. We introduce ConTact, a contact-then-act architecture that explicitly decomposes CDR design into three cascaded stages: learning surface complementarity fingerprints, predicting CDR-antigen contacts, and injecting contact-gated antigen features into the sequence head. A distance-biased cross-attention module encodes geometric priors favoring spatial neighbors, while a contact-weighted cross-entropy loss concentrates gradient signal on binding-critical positions. On CHIMERA-Bench dataset, ConTact achieves the best structural quality (7% RMSD improvement over the next-best baseline), best epitope awareness (10% F1 score over GNN baselines), and competitive sequence recovery (AAR 0.38) among several CDR-H3 design baselines.
Authors: Xiaogeng Liu, Xinyan Wang, Yingzi Ma, Yechao Zhang, Chaowei Xiao
Abstract: On-policy self-distillation (OPSD) trains a student on its own rollouts using a privileged teacher, but its standard objective weights all generated tokens equally, implicitly treating the privileged teacher target as equally reliable at every student-visited prefix. Existing entropy-based OPD methods relax this uniformity by modulating token-level supervision with teacher entropy, but high teacher entropy in reasoning has an ambiguous reliability meaning: it can reflect either non-viable uncertainty or benign solution diversity. To identify this phenomenon, we introduce a branch-viability diagnostic. Specifically, we record next-token alternatives from the privileged-answer teacher prompt, force each alternative after the student prompt plus its on-policy spine prefix, and test whether the resulting student-template continuation recovers the correct answer. On Qwen3-4B, we find that an oriented within-sequence position score is the strongest tested predictor of teacher-token reliability, reaching an area-under-ROC-curve (AUROC) of 0.83; local uncertainty scores are at most 0.57. Motivated by this trajectory-level structure, we propose Position-Weighted On-Policy Self-Distillation (PW-OPSD), which applies an increasing position weight while keeping the same student rollout, privileged teacher pass, and clipped forward-KL target as OPSD. In our comprehensive evaluations with different random seeds, the diagnostic-derived PW-OPSD improves AIME 2024 and AIME 2025 Avg@12 by +1.0 and +1.1 points, and a generalization evaluation on two larger-scale models from different families, DeepSeek-R1-Distill-Llama-8B and Olmo-3-7B-Think, also demonstrates consistent aggregate Avg@12 improvements. These results show that teacher-token reliability in reasoning distillation is trajectory-structured and can be utilized without additional teacher computation.
Authors: Mansoor Ahmed, Murray Patterson
Abstract: Antibody design methods condition on antigen structure to generate complementarity-determining regions (CDR), yet a systematic evaluation of baseline methods reveals that they largely ignore the antigen input. We identify three failure modes that explain this behavior. Antigen blindness arises because models derive predictions from antibody framework context rather than antigen information, producing nearly identical CDRs regardless of the target. Vocabulary collapse reduces predicted amino acids to three to five per position, far below the ground truth distribution in native sequences. Moreover, any model trained with standard per-position cross-entropy converges to the positional marginal distribution, making it provably unable to produce antigen-specific sequence predictions. We propose a novel encoder-decoder architecture called AgForce, that uses a graph neural network (GNN) as the encoder and specialized decoders for sequence-structure co-design. Specifically, we apply framework dropout, gated bottlenecks, and hyperbolic cross attention that prevent the antibody shortcut path. In the decoder, a Mixture Density Network (MDN) sequence head with Potts-like pairwise coupling and annealed Multiple Choice Learning (aMCL) replaces the cross-entropy objective with a multi-component distribution whose optimal solution differs from the positional marginal. An antigen cycle consistency head routes gradients through the sequence decoder, forcing predicted distributions to encode antigen identity. AgForce achieves the best binding quality and sequence recovery simultaneously on the CHIMERA-Bench dataset, improving amino acid recovery by 8% over the strongest sequence baseline while surpassing the baselines across all interface metrics, and nearly doubling the effective vocabulary of GNN methods. The source code is available at: https://github.com/mansoor181/ag-force.git
Authors: Elo\"ise Touron, Pedro L. C. Rodrigues, Julyan Arbel, Nelle Varoquaux, Michael Arbel
Abstract: Inference from interaction maps, such as centromere identification from genome-wide chromosome conformation capture techniques -- notably Hi-C -- can be formulated as a generic inverse problem: infer a set of parameters given a map summarizing pairwise interactions between entities through blocks of variable numbers and sizes. In this work, we introduce a data-driven approach that leverages shared structure between these maps, such as global alignment between localized patterns, while handling the variability in number and size of entities arising in real-world data. Our approach relies on a transformer architecture capable of handling such variability and a custom simulator to generate abundant, yet computationally cheap synthetic data for training. Applied to the problem of centromere localization, the method accurately recovers their genomic positions across a wide range of species of various genome sizes.
Authors: Jacek Karolczak, Jerzy Stefanowski
Abstract: Prototype-based explanations offer an intuitive, example-based approach to support the interpretability of machine learning black box classifiers but often lack feature-level granularity. We introduce a framework that integrates feature importance at two levels to address this gap. First, for local explanations, we propose \textit{alike parts}: a method that uses feature importance scores to highlight the most relevant, shared feature subsets between a classified instance and its nearest prototype, guiding user attention. Second, we augment the global prototype selection objective function with a feature importance term to actively promote diversity in the feature attributions of the selected prototypes. Experiments on six benchmark datasets show that this augmented selection process maintains or, in some cases, increases the prediction fidelity of the surrogate model, suggesting that feature diversity does not compromise model fidelity.
Authors: Lucas Fernandez Sarmiento
Abstract: We develop a mean-field theory of dropout as a perturbation of critical signal propagation at the edge of chaos. Dropout shifts the perfect-alignment fixed point, making the depth scale for information propagation finite even at critical initialization. We derive critical and crossover scaling laws for correlation decay and establish that smooth activations and kinked, ReLU-like activations constitute distinct universality classes, with different critical exponents and a universal two-parameter scaling collapse in detuning and dropout strength. The distinction traces to the analytic structure of the correlation map: smooth activations admit a Taylor expansion near perfect alignment, while kinked activations develop a branch point with universal non-analyticity. As a corollary, the framework yields saturated dropout profiles under fixed budget; a rank-flow tie-breaker then selects front-loaded schedules, substantially reducing held-out test loss at no extra computational cost, with accuracy gains as a consistent secondary effect. We test the predictions in MLPs and Vision Transformers and discuss CNN/ResNet extensions.
Authors: Gon\c{c}alo Duarte, Miguel Couceiro, Marcos V. Treviso
Abstract: Long-context decoding is increasingly limited by KV-cache memory traffic since each generated token attends over a cache whose size grows linearly with context length. Existing sparse decoding methods reduce this cost by selecting subsets of tokens or pages, but are designed for softmax attention, whose dense tails make any truncation discard nonzero probability mass. In contrast, $\alpha$-entmax produces exact zeros, turning sparse decoding from dense-tail approximation into support recovery: if the selected candidates contain the entmax support, sparse decoding remains exact. While recent entmax kernels enable efficient training, they do not address the autoregressive decoding bottleneck, where dense inference still streams the full KV cache before sparsity is known. In this work, we introduce EntmaxKV, an entmax-native sparse decoding framework that exploits sparsity before KV pages are loaded. EntmaxKV combines query-aware page scoring, support-aware candidate selection, and sparse entmax attention. We analyze truncation error through the dropped probability mass $\delta$, showing that output error is controlled by $\delta$ and vanishes when the entmax support is recovered. We further introduce a Gaussian-aware entmax selector that estimates the entmax threshold from lightweight page statistics, adapting the selected budget to the score distribution. Empirically, EntmaxKV drops less probability mass, retains more support tokens, and achieves lower output error than softmax-based sparse decoding at matched KV budgets. On long-context and language modeling benchmarks, it closely matches full-cache entmax while using a small fraction of the KV cache, achieving up to $3.36\times$ (softmax) and $5.43\times$ (entmax) speedup over full attention baselines at 1M context length. Code available at: https://github.com/deep-spin/entmaxkv.
Authors: Alexander Smirnov
Abstract: AI text detectors amplify a pretrained typicality axis; they do not construct an AI-vs-human boundary. On raw encoders before any task supervision, projecting onto centroid(AI)-centroid(HC3) achieves NYT-vs-HC3 AUROC 0.806/0.944/0.834 across three architectures (86-106% of the fine-tuned discrimination ceiling: on RoBERTa-base, raw projection exceeds fine-tuning); on RoBERTa-base, full fine-tuning reduces discrimination below raw on both fluent-formal populations tested. The same axis inverts on non-native ESL writing (AUROC 0.06-0.20) -- a falsifiable prediction unique to the typicality reading. A 24-example frozen probe matches full fine-tuning (0.900 vs 0.895). A closed-form Jacobian predictor parameterises axis-manipulating interventions with R^2 = 1.000 universal, lifts ELECTRA-CE deployment TPR from 0.000 to 0.904 at FPR = 1%, and transfers to three independently-trained third-party RoBERTa detectors at 16/16 oracle-equivalence (57% NYT-FPR reduction on the OpenAI detector). Scope: encoder family; mechanism magnitude HC3-anchored; population-level shared axis with per-text mechanisms varying across architectures. Three operationally distinct probes -- text-surface caps_rate residualisation, geometric signed-epsilon ablation, closed-form text-pair predictor -- agree at cos 0.74/0.81/1.00 across three architectures, confirming observer-invariance. Under matched-TPR-0.90 evaluation, the published intervention zoo (CC, dealign-f2c) is calibration-equivalent across 27 cells (|Delta AUROC| <= 0.0081), and >= 97% of the LoRA->full-FT bias gap on ELECTRA is calibration shift, not learned representation -- the central claim's prediction confirmed.
Authors: Arip Asadulaev, Daniil Ognev, Karim Salta, Martin Takac
Abstract: Reinforcement learning substantially improves pretrained language models, but it remains understudied why critic-free methods such as PPO and GRPO work as well as they do, and when they should provide the largest gains. We develop a value-gradient perspective of critic-free RL for LLM post-training. First, under a differentiable rollout and additive-noise parameterization, we show that the actor update is value-gradient-like in expectation: the backward pass propagates costates whose conditional expectation equals the value gradient. Second, for discrete transformer policies, we show that autodifferentiation through attention produces empirical costates that approximate this value signal, with an error controlled by the sampling gap and policy entropy. These results motivate a decomposition of RL impact into value gradient signal and reachable reward headroom, yielding a criterion for when RL should be most effective along a pretraining trajectory.
Authors: Kushagra Pandey, Farrin Marouf Sofian, Jan Niklas Groeneveld, Felix Draxler, Stephan Mandt
Abstract: Adapting pretrained diffusion models to downstream objectives such as inverse problems often requires expensive test-time guidance or optimization. We propose a principled framework for generating high-quality reward-aligned samples at substantially reduced inference cost. Our approach formulates test-time adaptation as a hierarchical variational model, where control is amortized into a lightweight yet expressive stochastic policy. This formulation naturally supports few-step diffusion sampling: large step sizes enable fast inference, while the learned policy maintains sample quality by providing structured per-step control. The resulting fully amortized sampler achieves a strong quality--speed tradeoff, matching or exceeding recent test-time scaling baselines while requiring significantly less compute. For example, on 4x super-resolution, our method achieves better perceptual quality with more than 5x faster inference compared to the best-performing baseline. We further extend our approach to a semi-amortized regime that combines cheap amortized proposals with limited test-time optimization, achieving state-of-the-art perceptual quality across several challenging inverse problems.
Authors: David Perera, Victor Moura, Lais Isabelle Alves dos Santos, Michel F. C. Haddad, Flavio Figueiredo
Abstract: Characterizing precisely the asymptotic generalization error of neural networks using parameters that can be estimated efficiently is a crucial problem in machine learning, which relies heavily on heuristics and practitioners' intuition to make key design choices. In order to mitigate this issue, we introduce the Representation Gap, a metric closely related to the generalization error, but admitting better-behaved asymptotic dynamics. Focusing on equivariant diffusion models and leveraging results from optimal quantization and point-process theory, we derive a precise asymptotic equivalent of the Representation Gap and show that it is governed by a single parameter, the \textit{intrinsic dimension} of the task, which is easy to interpret, efficient to estimate, and can be linked to the equivariances of common neural network architectures. We show that this asymptotic dynamic also extends to a broader range of tasks and training algorithms. Finally, we demonstrate empirically that our asymptotic law and intrinsic dimension estimation are accurate on a wide range of synthetic datasets, where these quantities are known, as well as on more realistic datasets, where we obtain results consistent with the related literature.
Authors: Sharath Turuvekere Sreenivas, Adithyakrishna Venkatesh Hanasoge, Mingyu Yang, Ali Taghibakhshi, Saurav Muralidharan, Ashwath Aithal, Pavlo Molchanov
Abstract: Cross-tokenizer knowledge distillation allows a student model to learn from teachers with incompatible vocabularies. Prior work operates on hidden states or logits; the latter is preferred as a drop-in replacement requiring no auxiliary components. Logit-based methods either use only the correct-token probability, missing the full 'dark knowledge' in the teacher's distribution, or operate on the full output distribution, relying on strict token partitioning and/or unprincipled heuristic ranking. We identify two key shortcomings of full-distribution, logit-based methods: (i) an uncommon-token failure, where critical tokens fall into the unmatched subset (e.g., Llama's 1100 multi-digit numerals under digit-splitting Qwen supervision) and are suppressed during training, reducing GSM8k from 12.89 to 2.56 compared to same-tokenizer KD from a weaker teacher; and (ii) over-conservative matching, where strict 1-to-1 matching excludes near-equivalent tokens across surface forms. These failures require distinct remedies: eliminating the partition when critical tokens are misaligned, and refining it when alignment is reliable. We propose X-Token, an approach with two complementary loss formulations targeting these issues. P-KL removes partitioning and aligns the student's distribution with the teacher's via a sparse projection matrix W (initialized from tokenizer-level string rules) to address the uncommon-token failure. H-KL retains the hybrid form while relaxing matching to align each student token with its top-ranked teacher mapping under W. Both objectives share W and extend naturally to multiple teachers. Empirically, on Llama-3.2-1B, X-Token outperforms the current state of the art GOLD by +3.82 average points with a Qwen3-4B teacher and by +0.5 with a Phi-4-Mini teacher. Further, a two-teacher setup (Phi-4-mini + Llama-3B) improves over single-teacher distillation by +1.3 points.
Authors: Anton Lyubinin
Abstract: Hyper-Connections (HC) improve residual networks by introducing learnable mixing across multiple residual streams, but unconstrained mixing leads to training instability. Manifold-Constrained Hyper-Connections (mHC) address this by enforcing approximate double stochasticity via Sinkhorn normalization, while mHC-lite ensures exact constraints through convex combinations of permutation matrices at the cost of factorial complexity. KromHC reduces this cost using Kronecker-product parameterizations, but restricts the mixing matrices to a structured submanifold of the Birkhoff polytope . We propose Transportation Birkhoff Polytope (TBP) parameterizations and their Recursive variants (RTBP), which construct exactly doubly stochastic mixing matrices with $(n-1)^2$ degrees of freedom. Our approach avoids iterative normalization and combinatorial explosion while preserving full expressivity of the Birkhoff polytope. Empirical results on language model pre-training' demonstrate competitive performance with improved stability and scalability.
Authors: Barbara Tarantino, Gennaro Auricchio, Paolo Giudici
Abstract: Deep learning models are increasingly used in scientific prediction tasks where strong benchmark performance is often interpreted as evidence of scientifically meaningful behavior. This interpretation is fragile, as models may exploit shortcut features, dataset-specific regularities, or distributional biases that are predictive on held-out data but not aligned with domain-relevant structure. To address this limitation, we introduce the \textsc{I-SAFE} (Interventional Secure, Accurate, Fair and Explainable) framework, a post-hoc distributional auditing framework for scientific AI models centered on the Wasserstein Coherence Metric (WCM). Given a trained black-box predictor and an external structural prior encoding domain knowledge about task-relevant input structure, \textsc{I-SAFE} evaluates raw model outputs under structurally guided perturbations of the input. The proposed audit measures output-distribution coherence through three complementary metrics: a Quantile-Based Metric (QBM) for location-level coherence, the WCM for ordinal coherence, and a translation-invariant WCM variant for shape coherence. We instantiate \textsc{I-SAFE} on drug--target interaction (DTI) prediction using the Davis kinase benchmark, KLIFS (Kinase--Ligand Interaction Fingerprints and Structures) binding-pocket annotations, and three sequence-based DTI models: DeepConvDTI, DeepDTA, and TAPB. Although the models operate in a comparable predictive regime, \textsc{I-SAFE} reveals substantially different distributional response profiles, a distinction invisible to accuracy-based evaluation. The framework is model-agnostic and applicable to any domain where inputs admit a structured decomposition and an external prior is available.
Authors: Samuel McDowell, Nathan Stromberg, Lalitha Sankar
Abstract: Prior-data fitted networks (PFNs) have achieved exceptional performance on tabular classification tasks. However, like other classifiers, their performance can suffer under the effect of class imbalance, resulting in poor performance for rare classes. Several techniques exist which attempt to mitigate the deleterious effect of class imbalance on classification performance, but the in-context learning (ICL) dynamic of PFNs means that loss-based strategies are impossible, and other techniques are unproven. We have adapted several classical techniques addressing class imbalance and analyzed their performance on PFN classification. We observe that thresholding performs exceptionally well because of the calibration characteristics of PFNs, and downsampling performs comparably because of PFNs exceptional limited-data performance, with the additional benefit of reduced computation cost for inference.
Authors: Juhwan Lee, Sadeer Al-Kindi, Ammar Hoori, Tao Hu, Hao Wu, Justin N. Kim, Robert Gilkeson, Sanjay Rajagopalan, David L. Wilson
Abstract: Non-contrast computed tomography calcium scoring (CTCS) is widely recognized as an effective tool for cardiovascular risk stratification. This study aimed to develop a novel machine learning framework for predicting myocardial ischemia from routine non-contrast CTCS scans using quantitative coronary calcium assessment. This study analyzed 1,375 patients who underwent both non-contrast CTCS and regadenoson stress cardiac positron emission tomography myocardial perfusion imaging within one year at University Hospitals Cleveland Medical Center. A total of 74 variables, including clinical variables, Agatston score, and calcium-omics features, were evaluated. Relevant features were identified using XGBoost with Shapley Additive exPlanations (SHAP). Predictive models were trained and evaluated using 5-fold cross-validation. Among 987 patients, 89 (9%) were positive for myocardial ischemia. The final model incorporated the Agatston score, eight calcium-omics features, and age. The proposed model achieved a precision of 98.9+/-3.0%, sensitivity of 79.2+/-8.4, and F1 score of 87.7+/-5.3%. The addition of calcium-omics features significantly improved predictive performance compared with models using clinical variables alone or clinical variables with the Agatston score (p<0.05). Interestingly, the number of calcified arteries, despite being the lowest-ranked feature based on SHAP analysis, showed the strongest association with myocardial ischemia in logistic regression analysis (odds ratio: 3.63, 95% confidence interval: 2.80-4.77, p<0.00001). We developed a machine learning approach for predicting myocardial ischemia using routinely acquired non-contrast CTCS scans. Calcium-omics features provided incremental predictive value beyond conventional risk factors and Agatston scoring and may support more accessible cardiovascular risk stratification.
Authors: Zhiqi Gao, Albert Ge, Alexander Berenbeim, Nathaniel D. Bastian, Frederic Sala
Abstract: Text-to-optimization requires two separable capabilities: modeling -- choosing the right optimization structure -- and binding -- grounding every coefficient, index, and parameter in the concrete problem data. We study this via Text2Opt-Bench, a scalable benchmark of solver-verified optimization problems spanning 12 categories, from textbook linear programs to stochastic and multi-objective formulations with up to thousands of variables. Across 10+ models, we find that accuracy collapses as instance data grows, even when the formulation itself is simple. We call this the effective binding limit. We address this via a simple inference-time approach, BIND, which externalizes numeric data to structured files so the model binds data programmatically rather than transcribing from the prompt. BIND improves GPT-5-Nano from 59.1% to 82.4% accuracy, matching pass@5 (82.0%) at lower token cost than pass@1, and GPT-5 from 86.2% to 95.8%. Furthermore, we validate our hypothesis by finetuning a model exclusively on binding and show that it outperforms end-to-end SFT and RL across three structurally distinct optimization categories, with a 1.5B binding specialist alone matching a 7B end-to-end baseline.
Authors: Blake Gella, Wei Wu, Yuhao Yin, Zexi Huang, Zikai Wang, Emily Liu, Junlin Zhang, Wentao Guo, Qinglei Wang
Abstract: Recommender systems trained on user interaction data are susceptible to behavioral intensity imbalance--a systematic distortion arising from heterogeneous engagement patterns across users. This imbalance skews feedback signals such that observed interactions no longer faithfully reflect true preferences, causing models to disproportionately amplify signals from highly active users while underrepresenting others, which ultimately degrades recommendation quality and robustness at scale. To address this issue, we propose a nonparametric contrastive percentile approximation framework, PEARL, that models relative preference signals instead of absolute engagement magnitudes. Building upon relative advantage debiasing, PEARL leverages real contrastive interaction samples to approximate percentile relationships directly, without relying on auxiliary distribution estimation models. We provide theoretical justification demonstrating that such pairwise comparisons yield unbiased estimates of percentile-based preference signals. For broader applicability, we introduce a prediction-based bootstrapping mechanism for percentile smoothing to handle sparse and discrete feedback, alongside a generalized value-weighted formulation and a co-training strategy to enhance both modeling flexibility and representation learning. Extensive offline experiments demonstrate that PEARL effectively mitigates behavioral bias and consistently improves recommendation performance across multiple ranking targets. Deployed in a production livestream platform with a combined user base of billions, online A/B testing confirms substantial real-world gains: +2.10% Watch Duration, +0.80% Consumption Amount, +1.49% Interaction Rate, and -6.91% Report Rate.
Authors: Juhwan Lee, Ammar Hoori, Tao Hu, Justin N. Kim, Mohamed H. E. Makhlouf, Michelle C. Williams, David E. Newby, Robert Gilkeson, Sanjay Rajagopalan, David L. Wilson
Abstract: Non-contrast computed tomography calcium scoring (CTCS) is a cost-effective imaging modality widely used to detect coronary artery calcifications. This study aimed to develop an advanced machine learning framework that utilizes quantitative analyses of coronary calcium and epicardial fat from CTCS images to predict obstructive coronary artery disease (CAD). The study population consisted of 1,324 patients from the SCOT-HEART clinical trial who underwent both CTCS and coronary CT angiography. We extracted and analyzed a broad range of features, including 24 clinical variables, 189 calcium-omics, and 211 epicardial fat-omics features from the CTCS images. Feature selection was conducted using the CatBoost algorithm combined with SHapley Additive exPlanation (SHAP) values. Predictive modeling utilized the CatBoost gradient boosting method, focusing on the most informative features. From an initial set of 424 candidate features, 14 were identified as most predictive through the CatBoost-SHAP method. The top two predictive features originated from fat-omics, with the remaining 12 features derived from calcium-omics. The optimized model achieved robust predictive capabilities, demonstrating a sensitivity of 83.1+/-4.6%, specificity of 93.8+/-1.7%, accuracy of 85.3+/-2.0%, and an F1 score of 73.9+/-3.3%. Inclusion of calcium-omics and fat-omics data significantly improved predictive performance. Notably, the model also showed reliable predictive accuracy in patients with diverse coronary calcium scores, including cases with obstructive CAD despite a zero-calcium score. This innovative approach holds promise for improving clinical decision-making and potentially reducing dependence on contrast-enhanced or invasive diagnostic procedures, particularly within low-to intermediate-risk patient groups.
Authors: Oliver Mortensen, Mohammad Sadegh Talebi
Abstract: We study risk-sensitive reinforcement learning in finite discounted MDPs, where a generative model of the MDP is assumed to be available. We consider a family or risk measures called the optimized certainty equivalent (OCE), which includes important risk measures such as entropic risk, CVaR, and mean-variance. Our focus is on the sample complexities of learning the optimal state-action value function (value learning) and an optimal policy (policy learning) under recursive OCE. We provide an exact characterization of utility functions $u$ for which the corresponding OCE defines an objective that is PAC-learnable. We analyze a simple model-based approach and derive PAC sample complexity bounds. We establish that whenever $u$ does not have full domain $\text{dom}(u)\neq \mathbb{R}$, the corresponding problem is not PAC-learnable. Finally, we establish corresponding lower bounds for both value and policy learning, demonstrating tightness in the size $SA$ of state-action space, and for a more restricted class of utilities, we derive lower bounds that makes the dependence on the effective horizon $\frac{1}{1-\gamma}$ explicit. Specifically, for $\text{CVaR}_\tau$ we show that the correct dependence on $\tau$ is $\frac{1}{\tau^2}$, thus improving by a factor of $\frac{1}{\tau}$ over state-of-the-art although our bound has a suboptimal dependence on $\frac{1}{1-\gamma}$.
Authors: Emanuel Sommer, David R\"ugamer
Abstract: The practical adoption of sampling-based inference (SAI) in Bayesian neural networks (BNNs) remains limited, partly due to persistent misconceptions about the feasibility and efficiency of sampling. This position paper argues that SAI has achieved computational parity with optimization-based methods and is at the verge of superseding such methods for effective and efficient inference in BNNs. This development should be in the interest of the whole community, promoting BNNs as a principled paradigm with its long-standing yet unfulfilled promise of providing principled uncertainty quantification for neural networks. SAI can even do more -- yielding superior prediction performance through model averaging, serving as the foundation for a plethora of possible downstream tasks, and providing crucial insights into the landscape of BNNs. In order to make such a change happen and unfold the potential of sampling, overcoming current misconceptions is a necessary first step. The next step is to realign research efforts toward addressing remaining challenges in SAI. In particular, the community must focus on two core problems: sufficient exploration of the posterior landscape and high-fidelity distillation of posterior samples for efficient downstream inference. By addressing conceptual and practical obstacles, we can unlock the full potential of SAI and establish it as a central tool in Bayesian deep learning.
Authors: Sikuan Yan, Ahmed Bahloul, Ercong Nie, Susanna Schwarzmann, Riccardo Trivisonno, Volker Tresp, Yunpu Ma
Abstract: Memory-augmented LLM agents enable interactions that extend beyond finite context windows by storing, updating, and reusing information across sessions. However, training such agents with reinforcement learning in multi-session environments is challenging because memory turns the agent's past actions into part of its future environment. Once different rollouts write, update, or delete different memories, they no longer share the same intermediate memory state, making trajectory-level comparisons fundamentally unfair. This violates a key assumption behind group-relative methods such as GRPO, where rollouts are compared as if they were sampled from the same effective environment. Consequently, trajectory-level rewards provide noisy or biased credit signals for long-horizon memory operations. To address this challenge, we introduce Memory-R2, a training framework for long-horizon memory-augmented LLM agents. Its core algorithm, LoGo-GRPO, combines local and global group-relative optimization. The global objective preserves end-to-end learning from long-horizon trajectory-level rewards, while local rerollouts compare different memory-operation outcomes from the same intermediate memory state, yielding fairer group comparisons and more precise supervision for memory construction. Beyond credit assignment, Memory-R2 jointly optimizes memory formation and memory evolution with a shared-parameter co-learning design, where a fact extractor and a memory manager are instantiated from the same LLM backbone through role-specific prompts. To stabilize multi-step RL over long memory horizons, we adopt a progressive curriculum that increases the training horizon from 8 to 16 to 32 sessions. Together, these components provide an effective training paradigm for memory-augmented LLM agents in long-horizon multi-session settings.
Authors: Ian Li, Kapilesh Guruprasad, Raunak Sengupta, Ninad Satish, Loris D'Antoni, Rose Yu
Abstract: Large language models frequently produce errors in reasoning tasks despite possessing the underlying knowledge required for correct reasoning. One possible approach to improve reasoning consistency is through activation steering. However, existing activation steering approaches apply fixed, pre-computed correction vectors, ignoring where the model currently sits along its generation trajectory; the result is indiscriminate perturbation that disrupts already-correct steps as freely as erroneous ones. We propose Manifold-Guided Attention Steering (MAGS), a trajectory-aware inference-time intervention grounded in a geometric observation: the output activations of specific attention heads diverge from a low-dimensional correctness manifold at the point of error, and this deviation compounds through subsequent steps. For each identified attention head, we learn a low-dimensional subspace from contrastive pairs of correct and incorrect traces that capture the directions along which error behavior deviates from correct behavior. During inference, we monitor each head's proximity to this manifold and apply a targeted projection correction when deviation exceeds a learned threshold, steering the attention output back toward the correct subspace before the error propagates. MAGS consistently outperforms both unsteered baselines and static steering approaches across benchmarks spanning mathematical reasoning (MATH-500, GSM8K), code generation (HumanEval, MBPP), and molecular generation (SMILES), suggesting that correctness manifolds are a general feature of LLM attention geometry.
Authors: Aman Saxena, Jan Schuchardt, Yan Scholten, Stephan G\"unnemann
Abstract: Randomized smoothing is a powerful tool for certifying robustness to adversarial perturbations, including poisoning attacks via randomized training and evasion attacks via randomized inference. Extending these guarantees to backdoor attacks, where training and test data are jointly perturbed, remains challenging because training- and test-time randomized mechanisms must be analyzed within a single robustness certificate. We address this by connecting randomized smoothing to the dual view of differential privacy through privacy profiles, which provide a numerical procedure for composing heterogeneous mechanisms. The resulting framework enables tight, modular, end-to-end certification of complex, composed mechanisms while leveraging existing analyses of differentially private mechanisms. We instantiate the framework for DP-SGD and Deep Partition Aggregation with inference-time smoothing, deriving joint robustness guarantees against both training-time and inference-time attacks. Experiments on MNIST and CIFAR-10 demonstrate the effectiveness of our framework. Overall, we provide a principled and general framework for using composite mechanisms to certify robustness under complex threat models that better capture the capabilities of real-world adversaries.
Authors: Ahanaf Hasan Ariq
Abstract: Test-time adaptation (TTA) methods improve model performance under distribution shift but lack formal guarantees connecting shift magnitude to prediction reliability. We develop a PAC-Bayesian framework yielding generalization bounds explicitly parameterized by the maximum mean discrepancy (MMD) between source and target distributions. Our principal contribution is interpreting MMD-balls around the source distribution as credal sets in Walley's imprecise probability theory, yielding natural epistemic uncertainty quantification. We establish: (i) a PAC-Bayesian bound with an MMD-dependent shift penalty under an RKHS-Lipschitz loss assumption; (ii) a finite-sample version via MMD concentration; (iii) a uniform worst-case risk bound over all distributions in the credal set, with a lower-upper risk decomposition; and (iv) geodesic preservation bounds explaining why kernel-guided adaptation protects local feature geometry. The credal set interpretation separates epistemic from aleatoric uncertainty and provides a principled decision criterion for when adaptation is warranted.
Authors: Robin Young
Abstract: Neural processes amortize Gaussian process inference, replacing the exact $O(n^3)$ posterior with a learned $O(n)$ map from context sets to predictive distributions. For a class of latent neural processes, we bound the Kullback--Leibler (KL) divergence between the GP and LNP predictives, decomposing it into three interpretable sources, namely label contamination as the neural process uses label values to estimate a quantity that is label-independent in the exact GP, an information bottleneck because the finite-dimensional representation cannot resolve the full context geometry, and amortization error from a single encoder network shared across all contexts. The bottleneck truncation term decays in the representation dimension $d$ as $O(e^{-cd^{2/d_x}})$ for squared-exponential kernels on $\mathbb{R}^{d_x}$ where $c > 0$ is a kernel-dependent constant and as $O(d^{-2\nu/d_x})$ for Mat\'ern-$\nu$ kernels, directly linking architecture sizing to kernel smoothness and input dimension. The label contamination term is $O(1)$ in general, with only the observation-noise component decaying as $O(1/n)$, identifying a persistent cost of routing uncertainty estimation through a label-dependent representation. These results characterize the costs of amortization within the analyzed class and yield architectural recommendations to predict variance from context locations alone in the GP-amortization regime, and replace mean aggregation with second-order pooling to close the dominant amortization gap.
Authors: Lucas Maes, Quentin Le Lidec, Luiz Facury, Nassim Massaudi, Ayush Chaurasia, Francesco Capuano, Richard Gao, Taj Gillin, Dan Haramati, Damien Scieur, Yann LeCun, Randall Balestriero
Abstract: World models are central to building agents that can reason, plan, and generalize beyond their training data. However, research on world models is currently fragmented, with disparate codebases, data pipelines, and evaluation protocols hindering reproducibility and fair comparison. Current practice is further limited by three key bottlenecks: fragile one-off codebases, slow video data loading, and the lack of standardized generalization benchmarks. We present stable-worldmodel (swm), an open-source platform for standardized and reproducible world modeling research and evaluation. It delivers (1) a high-performance Lance-based data layer with native support and conversion tools for MP4, HDF5, and LeRobot datasets, (2) clean, well-tested implementations of modern world model baselines and planning solvers, and (3) a broad suite of environments and tasks extended with controllable visual, geometric, and physical factors of variation for systematic in-silico evaluation of dynamics understanding, control performance, representation quality, and out-of-distribution generalization. By unifying the full pipeline under a single, scalable framework, \texttt{swm} dramatically reduces research overhead and accelerates trustworthy progress toward reliable world models.
Authors: Zheyuan Zhang, Kaiwen Shi, Han Bao, Zehong Wang, Tianyi Ma, Yanfang Ye
Abstract: Post-training has become central to improving reasoning and alignment in large language models, where critic-free models enable scalable learning from model-generated outputs but lack principled mechanisms to distinguish informative from noisy signals. Recent approaches leverage response-level measures as uncertainty signals to regulate group-based optimization methods such as GRPO. Yet their empirical success remains unstable and unclear in how they influence optimization dynamics. In this paper, we provide, to our knowledge, the first principled formulation that interprets uncertainty signals as mechanisms for characterizing and regulating gradient variance and learning signal quality. Based on both empirical and theoretical analysis, we identify two critical gaps of current entropy-based estimators: The anisotropic gap and The calibration gap. Motivated by this analysis, we propose Geometric-aware Calibrated Policy Optimization (GCPO), a novel framework integrating geometry-aware measures to capture semantic disagreement with reward-based calibration to align uncertainty with learning signal strength. Experiments on multiple benchmarks show that our approach more faithfully tracks gradient variability and consistently improves post-training performance. Our results highlight the importance of designing uncertainty signals that are aligned with optimization dynamics, offering a principled perspective for robust post-training.
Authors: Nandan Kumar Jha, Brandon Reagen
Abstract: Scaling laws have made language-model performance predictable from model size, data, and compute, but they typically treat the optimizer as a fixed training detail. We show that this assumption misses a fundamental axis of representation scaling: how effectively the optimizer converts added FFN width into utilized spectral capacity. Using eigenspectra of feed-forward network representations, measured through soft and hard spectral-ranks, we find that \emph{the same Transformer architecture realizes markedly different spectral scaling laws when trained with different optimizers}. Holding architecture and width schedule fixed, AdamW exhibits weak hard-rank scaling ($\beta$=0.44) on rare-token (TAIL) representations where learning is known to be hardest, whereas Muon achieves linear scaling ($\beta$=1.02) in the same regimes, a $2.3\times$ increase in the scaling exponent. This difference is not reducible to validation loss: AdamW configurations can match low-rank Dion variants in perplexity, under extended training, while exhibiting sharply different spectral geometry, demonstrating that matched loss does not imply matched representation structure. Hard--soft rank asymmetry further reveals that optimizers differ not only in how much capacity is realized, but also in how that capacity is structured across eigenmodes. To disentangle optimizer effects from architectural ones, we compare against architectural interventions (e.g., attention rank and positional encoding), and find that optimizer-induced spectral shifts often exceed the architectural effects. These results suggest optimization as a first-class axis of representation scaling, motivating optimizer--architecture co-design.
Authors: Ziwen Liu, Meng Li
Abstract: Discrete probability laws underpin statistical modeling, yet the catalog of interpretable distributions has expanded only gradually through centuries of case-by-case mathematical derivations. We introduce symbolic density estimation (SDE), an unsupervised framework that automatically recovers closed-form probability mass functions by composing elementary analytic operations within a structured search space. Our method integrates domain-specific structural priors with evolutionary search and a validity-aware inference stage, and it extends to richer distribution families such as zero inflation and finite mixtures. To support systematic evaluation and future research, we contribute a benchmark dataset spanning a broad collection of commonly used discrete distributions. The proposed algorithm recovers all benchmark families with accurate parameter estimates. A real data application shows that it identifies concise and interpretable mixture models that improve goodness-of-fit over standard models.
Authors: Ralph Bulanadi, Jefferey Baxter, Arpan Biswas, Hiroshi Funakubo, Dennis Meier, Jan Schulthei{\ss}, Rama Vasudevan, Yongtao Liu
Abstract: Self-driving laboratories or autonomous experimentation are emerging as transformative platforms for accelerating scientific discovery. Bayesian optimization (BO) is among the most widely used machine learning frameworks for these purposes, but these BO-based frameworks rely on predefined scalar descriptors to guide experimentation. In many situations, the determination of an appropriate scalar descriptor can be challenging, and may fail to capture subtle yet scientifically important phenomena apparent to experts with interdisciplinary insight. To overcome this limitation, here we develop deep-kernel pairwise learning (DKPL), an approach for autonomous microscopy experiments which incorporates human expertise and interdisciplinary scientific knowledge into an active learning loop. Instead of relying on explicit scalar objectives, DKPL enables experts to directly evaluate which experimental output is more promising using interdisciplinary knowledge. DKPL then learns a latent utility function from these expert judgements to guide subsequent autonomous microscopy experiments. We demonstrate DKPL's performance in learning physically meaningful nanoscale structures while effectively prioritizing high-information measurement regions using an experimental model dataset with known ground truth. We further apply DKPL to analyze the character of ferroelectric domain walls, where we find DKPL capable of distinguishing between high and low characteristic domain-wall angles in bismuth ferrite, and able to discover both head-to-head and tail-to-tail domain-wall character in erbium manganite. This development establishes an approach to integrate expert knowledge into autonomous microscopy experiments and demonstrates a pathway toward expert-guided self-driving laboratories capable of addressing scientific problems beyond the limits of scalar-metrics-driven learning.
Authors: Andy Han, Kristina Fujimoto, Avidan Shah, Kiet Nguyen, Kai Xu, Chen Yueh-Han, Ilia Sucholutsky, Rico Angell
Abstract: Aligned models can misbehave in several ways: they are often sycophantic, fall victim to jailbreaks, or fail to include appropriate safety warnings. Consistency training is a promising new alignment paradigm to mitigate such failures by training invariants into the model using contrastive input pairs. Existing consistency training procedures generate the supervision signal once, offline, and use supervised fine-tuning (SFT) to update the model. Unfortunately, the resulting models tend to merely memorize the surface forms of the training distribution and thus generalize poorly and regress in their capabilities. We introduce On-Policy Consistency Training (OPCT), a new consistency training approach where the objective is computed over the model's own responses to prompts, supervised by itself conditioned on corresponding contrastive prompts. We evaluate OPCT on three safety axes: sycophancy, jailbreaking, and safety awareness. Across three model families, OPCT outperforms its SFT counterpart on all safety desiderata. It nearly halves the sycophancy rate relative to baseline (8.1% vs. 15.4%, compared to 11.2% for SFT). Under an adaptive per-target attacker, OPCT holds jailbreak defense success near 99% on held-out jailbreak behaviors, whereas SFT achieves 87% on average. On safety awareness, OPCT outperforms SFT in two out of three models, and matches it on the other. OPCT also largely avoids the capability regressions that SFT induces, such as a 28-point drop on MATH-500. Our results suggest that consistency training is best implemented as OPCT rather than as SFT, especially when generalization beyond the training distribution is desired.
Authors: Athanasios Zeris
Abstract: Standard transformer attention computes pairwise similarity between queries and keys, treating all tokens as equally salient regardless of their intrinsic informational content. In turbulent fluid dynamics, coherent structures -- the energetically dominant, spatially organized patterns that persist amid background chaos -- carry a disproportionate fraction of total energy and govern all transport. We propose that tokens play an analogous role in transformer attention: informationally dense positions (morphological boundaries, syntactic heads, discourse markers) concentrate spectral energy and should attract proportionally more attention than background tokens (function words, repeated patterns, low-information filler). We propose Energy-Gated Attention (EGA): a simple modification that gates value aggregation by the spectral energy of key token embeddings, computed by a single learned linear projection that discovers the dominant spectral mode of the embedding field. On TinyShakespeare, EGA achieves +0.103 validation loss improvement with only 12,480 additional parameters (<0.26% overhead) and no measurable computational cost. The result is consistent on Penn Treebank (+0.101), demonstrating dataset independence. A systematic ablation across three wavelet families (fixed Morlet, Daubechies db2/db4, and a parametric Morlet) establishes that fixed structured bases are suboptimal -- the optimal energy direction is data-adaptive and non-sinusoidal -- while identifying learned wavelet packets as a promising open direction. The learned energy threshold converges to tau ~= 0.35 independently of initialization, corresponding to the fraction (~36%) of tokens carrying above-average spectral energy in English text, a stable linguistic property consistent with the fraction of content words in running English text.
Authors: Sungjun Lim, Heedong Kim, Andrew Lee, Kyungwoo Song
Abstract: Mechanistic interpretability aims to explain a model's behavior by identifying causally responsible internal structures. Dictionary-based explainers such as sparse autoencoders and transcoders are a primary tool, but their faithfulness under out-of-distribution (OOD) shift has received little systematic attention. We show that distribution shift rotates the subspace that the model actively uses, misaligning the explainer's dictionary trained on in-distribution (ID) activations. We formalize this misalignment as the faithfulness gap, a geometric distance between the ID dictionary and the OOD-active subspace, and show that it controls OOD faithfulness degradation. To reduce this gap, we propose the Geometry-Adaptive Explainer (GAE), which realigns the explainer's dictionary with the OOD-active subspace while preserving the original feature structure. This requires only unlabeled OOD activations and no gradient updates. We prove that GAE improves over the unadapted ID explainer, with excess loss bounded quadratically by the second-moment shift. Empirically, GAE even matches or surpasses all training-based baselines in causal faithfulness across multiple models and OOD settings.
Authors: Yu Li, Rui Miao, Tian Lan, Zhengling Qi
Abstract: Reinforcement learning with verifiable rewards has become the standard recipe for improving LLM reasoning, but the dominant algorithm GRPO assigns a single trajectory-level advantage to every token, diluting the signal at pivotal reasoning steps and injecting noise at uninformative ones. Critic-free alternatives derived from on-policy distillation supply per-token signals through oracle-conditioned likelihood ratios, yet apply each signal in isolation from the trajectory-level evidence accumulated up to that position. We propose Oracle-Prompted Policy Optimization (OPPO), which rests on a single observation: the oracle signal used by prior distillation-style methods for local discrimination is also the natural Bayesian update of the model's belief about eventual success. Accumulating the signal along a trajectory yields, in closed form and at the cost of one extra forward pass, a running estimate of the success probability at every position, together with a token-level advantage that requires no learned value network and no additional rollouts. A first-order analysis factorizes the advantage into the per-token discrimination signal used by distillation methods modulated by a state weight that concentrates credit on genuinely pivotal tokens, with a directional variance-reduction guarantee. The framework admits two estimators differing only in which model scores the evidence: a \textit{self-oracle} that reuses the student and recovers the on-policy distillation reward as a strict special case, and a \textit{teacher-oracle} that delegates scoring to a stronger frozen model. On two base LLMs across seven mathematics, science, and code reasoning benchmarks, OPPO improves over GRPO, DAPO, and SDPO by up to $+6.0$ points on AMC'23 and $+5.2$ points on AIME'24, with gains that widen monotonically with response length.
Authors: Yifan Lan, Yuanpu Cao, Hanyu Wang, Lu Lin, Jinghui Chen
Abstract: Large language models (LLMs) have demonstrated impressive reasoning abilities across a wide range of tasks, but data contamination undermines the objective evaluation of these capabilities. This problem is further exacerbated by malicious model publishers who use evasive, or indirect, contamination strategies, such as paraphrasing benchmark data to evade existing detection methods and artificially boost leaderboard performance. Current approaches struggle to reliably detect such stealthy contamination. In this work, we uncover a critical phenomenon: a model's generated reasoning steps actively mask its underlying memorization. Inspired by this, we propose the Zero-CoT Probe (ZCP), a novel black-box detection method that deliberately truncates the entire Chain-of-Thought (CoT) process to expose latent shortcut mappings. To further isolate memorization from the model's intrinsic problem-solving capabilities, ZCP compares the model's zero-CoT performance on the original benchmark against an isomorphically perturbed reference dataset. Furthermore, we introduce Contamination Confidence, a metric that quantifies both the likelihood and severity of contamination, moving beyond simple binary classifications. Extensive experiments on both previously identified contaminated models and specially fine-tuned contaminated models demonstrate that ZCP robustly detects both direct and evasive data contamination. The code for ZCP is accessible at https://github.com/Yifan-Lan/zero-cot-probe.
Authors: Heeyun Heo, Huy Kang Kim
Abstract: In competitive games, players frequently switch strategies after losing streaks, yet our analysis of 926,334 match records from 34,619 Clash Royale players reveals a counterintuitive pattern: switching frequency is inversely associated with the win rate, with effects that vary substantially across players and situational contexts. We attribute this to a limitation common in many prior recommendation systems, which evaluate strategies by expected quality while overlooking the behavioral cost of switching and individual differences in switching propensity. We refer to this implicit premise as the Zero Switching Cost Assumption. To address this, we reformulate strategy recommendation as a transition-level decision problem and instantiate it as TQP (Transition Quality Predictor), a three-stage pipeline structured as Who -> When -> What. PersonaGate suppresses recommendations for players whose strategic consistency is empirically associated with superior outcomes. TimingGate identifies moments when switching is likely to yield a net benefit over staying, using a subtype- and state-matched baseline to control for natural win-rate recovery. ScoreFusion ranks candidate strategies by combining an adoptability signal with predicted transition quality (delta WR). We further introduce SwitchGap, an evaluation metric that measures a policy's discriminative quality without treating observed player choices as optimal ground truth. This property is particularly important because the most frequent switchers record the lowest win rates. The full pipeline achieves a SwitchGap of +10.4 percentage points at a recommendation rate of 5.4%, and loss-triggered switchers, despite being the lowest-performing group, benefit the most from subtype-conditioned guidance.
Authors: Seo Taek Kong, Weina Wang, R. Srikant
Abstract: We develop a principled framework for analyzing and designing noise schedules in diffusion models. We show that one can recast this design problem as an optimal control problem, whose state is the Fisher information of the diffusion process which evolves according to an ODE and the control input is the noise schedule. The objective of the optimal control problem is a functional involving the Fisher information, which is shown to be an upper bound on the Kullback-Leibler sampling error. By solving this optimal control problem, we obtain sufficient conditions on noise schedules under which state-of-the-art $\tilde{\mathcal{O}} (d/n)$ sampling error is achievable, where $d$ is the data dimension and $n$ is the number of discretization steps. While existing theoretical work also prove that $\tilde{\mathcal{O}}(d/n)$ sampling error bounds are achievable, these results hold for specific noise schedules, which do not include the schedules used in practice. Under a further parametric assumption on the data distribution, we show that one can obtain closed-form expressions for the noise schedules. These noise schedules generalize standard empirical schedules such as exponential and sigmoid schedules by allowing additional parameters that can be tuned. Systematically tuning the parameters of these schedules yields new schedules that achieve superior FID scores on image generation benchmarks.
Authors: Vikash Singh, Weicong Chen, Debargha Ganguly, Yanyan Zhang, Nengbo Wang, Sreehari Sankar, Mohsen Hariri, Alexander Nemecek, Chaoda Song, Shouren Wang, Biyao Zhang, Van Yang, Erman Ayday, Jing Ma, Vipin Chaudhary
Abstract: Estimating treatment effects from observational data requires choosing an adjustment set, but valid adjustment depends on an unknown causal graph. Graph misspecification can cause under-coverage, while graph-agnostic conformal wrappers may regain nominal coverage only through large padding. We introduce CausalGuard, a structure-weighted conformal framework that calibrates after aggregating graph-conditional doubly robust pseudo-outcomes. Candidate DAGs are proposed from an LLM-derived edge prior, pruned by conditional-independence tests, and reweighted by Bayesian Information Criterion. A composite nonconformity score then calibrates the posterior-weighted pseudo-outcome. CausalGuard provides distribution-free finite-sample marginal coverage for this aggregated pseudo-outcome; under causal identification, overlap, conditional-mean nuisance stability, and concentration on target-aligned valid adjustment strategies, its conditional mean converges to the true Conditional Average Treatment Effect. Across five benchmarks, CausalGuard attains mean coverage above the nominal 90% level for the directly evaluable target and reduces width when graph-agnostic conformal baselines require large padding. Stress tests show that CausalGuard suppresses invalid collider adjustment and remains stable under misspecified priors when the retained candidate set is data-supported.
Authors: Benjamin D. Kim, Lav R. Varshney, Daniel Alabi
Abstract: We study black-box auditing for machine learning algorithms that claim R \ 'enyi differential privacy (RDP) guarantees. We introduce an auditing framework, based on hypothesis testing, that directly estimates R\'enyi divergence between neighboring executions using the Donsker-Varadhan (DV) variational estimator. Our analysis yields explicit and non-asymptotic confidence intervals for RDP auditing via class-restricted DV estimators, separating statistical estimation error from algorithmic privacy leakage. We prove matching minimax lower bounds showing that, up to logarithmic factors, our sample-complexity guarantees are information-theoretically optimal, thereby establishing the first optimal guarantees for auditing RDP via DV estimators. Empirically, we instantiate our framework for auditing DP-SGD in a fully black-box setting. Across MNIST and CIFAR-10, and over a wide range of privacy regimes, our auditors produce a strong overall improvement on empirical RDP lower bounds compared to prior state-of-the-art black-box methods especially at small and moderate R\'enyi orders where accurate auditing is most challenging.
Authors: Xucheng Yu, Haibo Jin, Huimin Zeng, Haohan Wang
Abstract: LLM-based ranking systems are vulnerable to Generative Engine Optimization (GEO) attacks, where adversaries inject semantic signals into product descriptions to artificially boost rankings. We propose SCI-Defense, a three-component defense framework combining Perplexity detection (PPL), Semantic Integrity Scoring (SIS), and Inter-Candidate Detection (ICD). SIS evaluates four manipulation dimensions: Authority Attribution (AA), Narrative Purposiveness (NP), Comparative Claims (CA), and Temporal Claims (TC). Evaluated on 600 Amazon product descriptions across 6 categories, SCI-Defense achieves Precision=1.000 and FPR=0.000, with Recall of 1.000, 0.952, and 0.830 against String, Reasoning, and Review attacks respectively. On 600 MS MARCO web passages, String attacks are blocked with perfect recall while Review attacks yield near-zero recall, as web passages lack the persuasion-oriented signals that SIS targets in product descriptions. We demonstrate that existing defenses -- PPL-only filters, SafetyClf content classifiers, and paraphrasing -- achieve zero recall against semantic manipulation attacks. We further demonstrate new attacks such as Specification Amplification and Use-Case Saturation can expose semantic relevance manipulation as a structural defense blind spot that suggests directions for future research.
Authors: Dianzhi Yu, Vireo Zhang, Hongru Wang, Yanyu Chen, Minda Hu, Wanghan Xu, Siki Chen, Philip Torr, Zhenfei Yin, Irwin King
Abstract: Achieving self-evolution in intelligent agents requires the continual accumulation of new knowledge across changing task sequences without forgetting previously acquired abilities. Existing approaches either internalize knowledge by updating model parameters, which induces catastrophic forgetting, or rely on external memory, which fails to genuinely enhance the model's intrinsic capabilities. We propose MoLEM, a generative mixture of latent memory framework based on a dynamic mixture-of-experts (MoE). We treat multiple experts as independent carriers to generate memory. A router selects and weights experts through key-query matching, and the aggregated latent memory is injected into the reasoning process. The base model for reasoning remains entirely frozen, with all experiential knowledge internalized into the additional modules, avoiding catastrophic forgetting. For continual learning, each training stage is paired with a lightweight autoencoder that selects the appropriate routing group at inference, and inputs that match no stage fall back to the pretrained model. Experiments train the framework on continual-learning sequences spanning math, science, and code domains. After training, we evaluate the framework on the corresponding test sets to measure task learning and competence preservation across continual adaptation stages. After the full continual-learning sequence, our method improves the average accuracy by 10.40% over the Vanilla pretrained baseline, while none of the competing methods consistently exceed this baseline across different training orders.
Authors: Jiangyuan Wang, Xuyong Chen, Junwei He, Xu Xu, Shasha Xie, Fuman Han
Abstract: Long-horizon clinical simulation -- predicting how a patient's physiology evolves over years under specified interventions -- is central to chronic-disease care, yet existing electronic health record (EHR) models are predominantly discriminative, and general-purpose large language models drift under repeated interventions. We propose the \textbf{ChronoMedicalWorld Model (CMWM)}, an action-conditioned latent world-model framework for learning patient trajectories from longitudinal care data. CMWM couples a joint-embedding state encoder with a wide action encoder that admits both structured intervention indicators and free-text communication embeddings, and trains a recurrent latent transition module under a six-term objective: next-observation supervision, next-latent prediction, SIGReg latent regularisation, and three physiology-aware shape priors (slope, continuity, large-jump penalty). A closed-loop rollout-prefix protocol matches training to deployment, so the model is optimised against the same multi-step error it exhibits at inference. As a concrete case study, we instantiate CMWM for annual estimated glomerular filtration rate (eGFR) trajectory forecasting in chronic kidney disease (CKD). On a 2{,}232-patient nephrology cohort, the CKD instantiation achieves a dynamic-50\% history rollout test mean absolute error (MAE) of 7.384 and root-mean-square error (RMSE) of 10.256, against 7.964 and 11.069 for a tuned GPT-5.5 structured-prompting baseline ($-7.28\%$ MAE, $-7.35\%$ RMSE), with the gain dominated by the dialogue portion of patient--health-coach communication. The framework is not CKD-specific: its architecture, loss design, and training protocol apply to any chronic condition that can be cast as periodic clinical state interleaved with structured and conversational interventions.
Authors: Saurabh Saini, Kapil Ahuja, Thomas Wick, Saurav Kumar
Abstract: Optimization is essential in deep learning. The foundational method upon which most optimizers are built is momentum-based stochastic gradient descent. However, it suffers from two key drawbacks. First, it has noisy and varying gradients, and second, it has an overshoot phenomenon. To address noisy gradients, Adam was proposed, which remains the most widely used adaptive optimizer. To address the overshoot phenomenon, a control-theory-based PID optimizer was proposed. To tackle both the limitations within a single framework, several variants of Adaptive PID (AdaPID) have recently been proposed. Although AdaPID performs well, it still inherits two critical drawbacks from Adam, namely convergence and stability issues. In this work, we address both these limitations. To fix the convergence issue, we uniquely integrate the idea of using a non-increasing effective learning rate into AdaPID (originally proposed in AMSGrad, an extension of Adam). To fix the stability issue, we innovatively integrate a gradient difference based modulation factor into AdaPID (originally proposed in DiffGrad, another extension of Adam). Combining both these ideas in AdaPID, results in our novel IAdaPID-ADG optimizer. We evaluate our proposed optimizer on multiple datasets, including benchmark datasets (MNIST and CIFAR10) and real-world datasets (IARC and AnnoCerv). The IAdaPID-ADG substantially outperforms all competing optimizers. Additionally, we perform an ablation study on the MNIST dataset to demonstrate the contribution of each added component.
Authors: Qishi Zhan, Minxuan Hu, Liang He
Abstract: Unstructured magnitude pruning at high sparsity can reduce neural network accuracy to near-random performance, while labeled retraining may be unavailable in practical deployment settings. Label-free post-pruning repair methods can partially recover collapsed sparse models, but their effectiveness depends on the sparse model left by the upstream pruning allocation. This paper studies how sparsity allocation shapes post-repair recoverability under a fixed activation-statistic repair backend. We compare ERK and LAMP allocations under the same label-free repair protocol across CIFAR-10, CIFAR-100, and Imagenette with ResNet-18, ResNet-34, and ResNet-50 at sparsities from 90% to 95.5%. The results show that allocation choice can substantially change post-repair accuracy at the same global sparsity, and that the preferred allocation varies with architecture, dataset difficulty, and sparsity level. We identify a repair-sensitive transition regime in which BatchNorm recalibration begins to fail, while activation-statistic repair still recovers nontrivial accuracy. Additional validation on ImageNet-100 and DenseNet-121 shows that the location and width of this recoverable regime depend on data scale and connectivity structure. These findings suggest that pruning allocation and post-pruning repair should be studied jointly, since the allocation determines how much activation signal remains available for label-free recovery.
Authors: Jialin Chen, Aosong Feng, Harshit Verma, Siyi Gu, Haiwen Wang, Ali Maatouk, Yixuan He, Yifeng Gao, Leandros Tassiulas, Rex Ying
Abstract: Financial markets are characterized by extreme non-stationarity, low signal-to-noise ratios, and strong dependence on external information such as news, company fundamentals, and macroeconomic signals. Yet, existing approaches either abstract time-series into text or decouple forecasting from language-based reasoning, leading to a fundamental mismatch between qualitative reasoning and quantitative outcomes. To address this, we introduce StockR1, a time-series-enhanced LLM that unifies stock forecasting and financial reasoning through a verifiable forecast action. Based on a tool-call design, the model first emits a forecast action, which is a structured and interpretable representation of its qualitative market outlook. It then invokes a time-series decoder conditioned on this action to generate distributional future trajectories, leading to more informed question answering and financial reasoning. We optimize the full pipeline with reinforcement learning, where rewards jointly reflect answer validity, forecast accuracy, and consistency between generated actions and observed time-series dynamics. In addition, rewards are reweighted by a sample-level uncertainty scalar, encouraging the model to accommodate varying uncertainty in market dynamics. We evaluate StockR1 on financial question answering and stock forecasting over a large-scale 10-year benchmark. Our method consistently outperforms time-series baselines and general-purpose LLMs, improving reasoning accuracy by 17.7% (4B) and 25.9% (8B). These findings demonstrate that structuring the forecast actions establishes a powerful synergy between language reasoning and temporal prediction, enabling LLMs to reason through verifiable, interpretable, and numerically grounded decisions.
Authors: Yoav Kor Sade, Arvindh Arun, Rishi Puri, Steffen Staab, Maya Bechler-Speicher
Abstract: GraphRAG conditions language models on subgraphs retrieved from knowledge graphs, encoded via message-passing GNNs. Because these encoders entangle node contributions through iterated neighborhood aggregation, there is no closed-form way to determine how much each retrieved entity influenced the encoder's output, and therefore no way to faithfully audit what structural evidence actually reached the model. We introduce Ex-GraphRAG, which replaces the GNN encoder with a Multivariate Graph Neural Additive Network (M-GNAN), an extension of additive graph models to high-dimensional embedding spaces that yields an exact decomposition of the encoder's output across individual nodes and feature groups, without post-hoc approximation. On STaRK-Prime, this auditable encoder matches black-box performance. Using it to audit evidence routing, we uncover a semantic-structural mismatch: the nodes that dominate the encoder's output are structurally disconnected in the retrieved subgraph, held together by low-attribution intermediaries whose removal degrades multi-hop QA by up to 28%. This mismatch, invisible to any opaque encoder, reveals that semantic importance and structural connectivity are governed by disjoint sets of nodes, with direct implications for retrieval pruning, context construction, and failure diagnosis in graph-augmented LLMs.
Authors: Hongsin Lee, Hye Won Chung
Abstract: Adversarial Distillation aims to enhance student robustness by guiding the student with a robust teacher's soft labels within the min-max adversarial training framework, yet its success is notoriously inconsistent: a more robust teacher often fails to improve, or even harms, the student's robust generalization. In this paper, we identify a key mechanism of this teacher dependency: the misalignment between the teacher's supervisory confidence and the student's representational limitations on a consistent subset of training data -- the Robustly Unlearnable Set. We present a theoretical framework analyzing the feature learning dynamics of a two-layer neural network, demonstrating that this mismatch creates a dichotomy in distillation outcomes. We prove that when a teacher provides confident supervision on unlearnable samples, it compels the student to memorize spurious noise patterns that eventually overpower the learned robust signal, thereby driving robust overfitting. Conversely, a teacher that exhibits high uncertainty on these samples effectively suppresses noise memorization, allowing the student to rely solely on the learnable signal for robust generalization. We empirically validate our theory across both synthetic simulations and real-image classification datasets, confirming that robust overfitting is driven by the teacher's interaction with unlearnable samples. Finally, we demonstrate that a teacher's predictive entropy on unlearnable samples serves as a strong indicator of student robustness, validating our theoretical framework and offering a principled guideline for robust teacher selection.
Authors: Hisashi Miyashita
Abstract: We show that singular value decomposition of the lm_head} weight matrix of a transformer-based large language model -- requiring only five lines of PyTorch and no model inference -- reveals interpretable semantic subspaces directly from the model weights. Each left singular vector identifies the vocabulary tokens most readily selected when the hidden state aligns with the corresponding singular direction; inspecting these clusters exposes the model's training data composition and curation philosophy. Analysing GPT-OSS-120B, Gemma-2-2B, and Qwen2.5-1.5B, we find that singular value spectra and vocabulary cluster structures differ systematically across models: GPT exhibits a graduated hierarchy of functionally differentiated subspaces; Gemma is dominated by pre-nineteenth-century English orthography, forming a stepwise clustering structure that may contribute to high output controllability; and Qwen exhibits broad multilingual coverage alongside subspaces whose vocabulary the authors have determined to be ethically inappropriate for direct publication. Base-instruct comparison reveals that ethically concerning subspaces originate in pretraining and are not removed by post-training alignment. We introduce the Vocabulary Cluster Score (VCS) to quantify subspace coherence, and the Weighted Projection Score (WPS) as a static glitch token detector; applying WPS to GPT-OSS-120B recovers shokubutsu-hyakka-tsu (ID 137606), a well-known glitch token widely reported in the CJK language community, without any model inference. We propose a taxonomy of root causes for problematic vocabulary content and call for lm_head} SVD analysis to be adopted as a standard pre-release safety auditing step. Our findings further suggest directions toward SVD-guided tokenizer optimisation and more controllable LLM design.
Authors: Fan Zhang, Yating Cui, Hua Wang
Abstract: Multivariate time series (MTS) classification is foundational to pervasive computing and financial analysis, yet existing multi-scale paradigms are often constrained by suboptimal representation fidelity. We identify two critical bottlenecks: temporal non-causality in standard encoders that induces temporal confounding in non-stationary dynamics, and the absence of explicit channel saliency mechanisms that allows noise to contaminate the latent space. To address these challenges, we propose the Causal Attention and Spatio-temporal Encoder Network (CASE-NET), an architecture designed for structural manifold pre-conditioning. CASE-NET synergizes a Causal Temporal Encoder, which enforces physical arrow-of-time constraints via masked self-attention and causal convolutions, with an Adaptive Channel Recalibration module functioning as an information bottleneck to suppress detrimental noise. Comprehensive evaluations across six heterogeneous domains demonstrate that CASE-NET establishes new state-of-the-art benchmarks on four tasks, achieving a peak accuracy of 98.6% on the AWR dataset and superior robustness in non-stationary regimes.
Authors: Zhuo Chen (equal contribution), Xinzhe Yuan (equal contribution), Jianshu Zhang (Shanghai Artificial Intelligence Laboratory, Shanghai, China, School of Computer Science, Shanghai Jiao Tong University, Shanghai, China), Jinzong Dong (Shanghai Artificial Intelligence Laboratory, Shanghai, China, School of Automation, Central South University, Changsha, China), Ruichen Zhou (College of New Energy and Materials, China University of Petroleum, Beijing, China), Yingchun Niu (College of New Energy and Materials, China University of Petroleum, Beijing, China), Tianhang Zhou (College of Carbon Neutrality Future Technology, China University of Petroleum, Beijing, China), Yu Yang Fredrik Liu (DeepVerse PTE. LTD., Singapore), Yuqiang Li (Shanghai Artificial Intelligence Laboratory, Shanghai, China), Nanyang Ye (Shanghai Artificial Intelligence Laboratory, Shanghai, China, School of Computer Science, Shanghai Jiao Tong University, Shanghai, China), Qinying Gu (Shanghai Artificial Intelligence Laboratory, Shanghai, China)
Abstract: The high cost and data scarcity in scientific exploration have motivated the use of large language models (LLMs) as knowledge-driven components in Bayesian optimization (BO). However, existing approaches typically embed LLMs directly into the sampling or surrogate modeling pipeline, without fully leveraging their significantly lower evaluation cost compared to real-world experiments. To address this limitation, we propose LLM-Accelerated Bayesian Optimization (LABO), a framework that combines LLM predictions with experimental observations within a single BO loop. LABO employs a gating criterion to dynamically balance the reliance on LLM predictions versus actual experiments. By leveraging inexpensive LLM evaluations to broadly explore the search space and reserving costly real experiments only for regions with high uncertainty, LABO achieves more sample-efficient optimization. We provide a theoretical analysis with a cumulative regret bound that formalizes this efficiency gain. Empirical results across diverse scientific tasks demonstrate that LABO consistently outperforms existing methods under identical experimental budgets. Our results suggest that LABO offers a practical and theoretically grounded approach for integrating LLMs into scientific discovery workflows.
Authors: Xianhao Song, Yuang Zhang, Yuqi She, Liping Wang, Xuemin Lin
Abstract: Time Series Classification (TSC) is a long-standing research problem that has gained increasing attention in recent years with the rapid growth of large-scale temporal data. Despite substantial progress enabled by deep learning, designing TSC models that are both accurate and interpretable remains a challenging task. Many existing approaches adopt a direct feature-to-label classification paradigm, by collapsing high-dimensional temporal embeddings into class logits via a single linear projection (often after global pooling), the paradigm conflates feature extraction and decision logic into an inseparable mapping. To address these limitations, we propose PDFTime, a prototype-guided framework that reformulates time series classification as a multi-stage decision process. Instead of direct feature-to-label mapping, PDFTime leverages learned prototypes to approximate class-conditional feature distributions in the latent space, enabling progressive discrimination through classification sub-tasks of varying granularity. To our knowledge, PDFTime is the first framework to reformulate time series classification as a decoupled, multi-stage similarity-based reasoning process, breaking the long-standing paradigm of direct, black-box feature-to-label mapping. Extensive evaluations demonstrate that PDFTime achieves state-of-the-art (SOTA) performance across UEA and UCR benchmarks. Notably, it secures the top-$1$ accuracy on 80 out of 128 datasets in the UCR archive, significantly outperforming recent strong baselines in both consistency and generalization.
Authors: Xitai Jiang, Zihan Tang, Wenze Lin, Yang Yue, Shenzhi Wang, Gao Huang
Abstract: Reinforcement learning from verifiable rewards (RLVR) has shown strong promise for LLM reasoning, but outcome-based RLVR remains inefficient on hard problems because correct final-answer rollouts are rare and sample-level credit assignment cannot use partial progress in failed attempts. We introduce SCRL (Subproblem Curriculum Reinforcement Learning), a curriculum RL framework that derives verifiable subproblems from reference reasoning chains and fixes the final subproblem as the original problem. This turns partial progress on hard problems into verifiable learning signals. Algorithmically, SCRL uses subproblem-level normalization, which normalizes rewards independently at each subproblem position and assigns the resulting advantages to the corresponding answer spans, enabling finer-grained credit assignment without external rubrics or reward models. Our analysis shows that subproblem curricula lift hard problems out of gradient dead zones, with larger relative gains as the original problem becomes harder. Across seven mathematical reasoning benchmarks, SCRL outperforms strong curriculum-learning baselines, improving average accuracy over GRPO by +4.1 points on Qwen3-4B-Base and +1.9 points on Qwen3-14B-Base. On AIME24, AIME25, and IMO-Bench, SCRL further improves pass@1 by +3.7 points and pass@64 by +4.6 points on Qwen3-4B-Base, indicating better exploration on hard reasoning problems.
Authors: Varsha Sharma, Prasanta K. Guha, Avik Ghose
Abstract: Diabetes is a global health burden, and early detection is critical for timely intervention. This study explores a non-invasive, data-driven framework to identify individuals at risk of diabetes using Volatile Organic Compounds (VOCs) and lifestyle variables. We use causal inference techniques to estimate the impact of VOCs such as acetone, isopropanol, isoprene, and ethanol on blood glucose levels. Additionally, we designed a classifier to distinguish diabetics from non-diabetics using non-invasive markers. We created a risk-based ranking system for individuals in the "gray zone," and identified natural clusters in the population using Gaussian Mixture Model. Our results suggest that specific VOCs exhibit a strong causal influence on glucose levels and that machine learning models can reliably classify and stratify individuals at high risk. This integrated causal-explainable analysis can support the development of tool for non-invasive early screening of diabetes.
Authors: Gledson Rodrigo Tondo, Igor Kavrakov, Guido Morgenthal
Abstract: Accurate modeling of aerodynamic loads is essential for understanding and predicting the responses of complex structural systems. However, these models often rely on simplifications of the true physical forces, introducing assumptions that can limit their accuracy. Validating such models becomes particularly challenging in the presence of noisy or incomplete data. To address this, we introduce a probabilistic physics-informed machine learning approach designed to reconstruct the underlying aerodynamic loads from noisy measurements of structural dynamic responses. The model avoids overfitting, eliminates the need for regularization schemes, and allows for the use of heterogeneous and multi-fidelity data during the training process. The efficacy of the approach is demonstrated through the reconstruction of aerodynamic loads on the Great Belt East Bridge, simulated under a linear unsteady assumption. Results show a strong agreement between true and predicted loads, particularly related to root mean squared errors, magnitude, phase angle and peak values of the signals. The method for load reconstructing holds broad applicability, such as modeling validation, future load estimation, and structural damage prognosis.
Authors: Taewoon Kim, Vincent Fran\c{c}ois-Lavet, Michael Cochez
Abstract: Reinforcement learning under partial observability requires deciding what information to retain, yet most memory-based approaches do not explicitly model short-term-to-long-term transfer of symbolic observations. We study this transfer process in a temporal knowledge-graph memory setting and cast it as a neuro-symbolic value-based decision problem: for each observed triple, the agent chooses whether to keep or drop it before long-term insertion. To handle variable-sized short-term buffers, we use a per-item Q-learning design with shared parameters and a practical temporal-difference update over matched items across consecutive steps. On the RoomKG benchmark at long-term memory capacity 128, learned transfer decisions outperform symbolic and neural baselines, including symbolic baselines with temporal annotations and history-based LSTM/Transformer baselines. Across transfer-policy ablations, a lightweight local short-term-only variant performs best, and step-level behavior shows that the policy keeps navigation- and query-relevant facts while discarding lower-value candidate facts, supporting explicit and interpretable memory decisions under memory constraints.
Authors: David Mendez, Fernando Martin-Maroto, Gonzalo G. de Polavieja
Abstract: Symbolic methods are generally not considered competitive with strong modern learners on realistic supervised tasks. We evaluate Algebraic Machine Learning (AML), a framework that learns through subdirect decomposition of algebraic structure rather than numerical optimization, against standard baselines on image and tabular classification across varying training-set sizes. We find that AML trained only on training data without using validation or cross-validation outperforms a family of cross-validated baseline methods including CNNs on small to medium image datasets (50--2000 training examples). On tabular datasets in the same size range, XGBoost is overall the best performing method, but AML is nonetheless comparable to methods incorporating task-specific biases such as LightGBM and random forests. AML achieves this competitive performance across two very different types of datasets using a generic algebraic inductive bias, rather than the modality-specific biases built into standard baselines like CNNs for images or XGBoost for tabular data, and requires no cross validation because it has no task-dependent hyperparameters to tune.
Authors: Shuo Yang, Jinda Lu, Kexin Huang, Chiyu Ma, Shaohang Wei, Yuyang Liu, Guoyin Wang, Jingren Zhou, Li Yuan
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has become a promising paradigm for scaling reasoning capabilities of Large Language Models (LLMs). However, the sparsity of binary verifier rewards often leads to low efficiency and optimization instability. To stabilize training, existing methods typically impose token-level constraints relative to a reference policy. We identify that such constraints penalize deviations indiscriminately; this can flip verifier-determined direction when the policy attempts to outperform the reference, thereby suppressing gains. To resolve this, we propose One-Way Policy Optimization (OWPO), a method based on the principle of decoupling optimization direction from update magnitude. In OWPO, the verifier dictates the update direction, while the reference policy serves only to adjust the magnitude. Specifically, OWPO applies asymmetric reweighting: it performs Accelerated Alignment for inferior deviations (where the policy lags behind the reference) and Gain Locking for superior deviations (where the policy surpasses the reference). Furthermore, by incorporating iterative reference updates, OWPO creates a ``Ratchet Effect'' that continuously consolidates gains. Experimental results demonstrate that OWPO outperforms strong baselines, including DAPO, OPD, and MOPD, breaking the bottleneck of fixed priors to enable continuous self-evolution without reliance on external reference models.
Authors: Liangyu Li, Shengzhi Wang, Qingwen Liu
Abstract: Latent world models can contain the state needed for control, yet their terminal-cost interface can expose the planner to the wrong decision-relevant information. In common latent MPC, candidate sequences are ranked by Euclidean distance between predicted terminal and goal latent states; this assumes that raw latent distance weights reachability-relevant variables correctly. We propose trajectory reachability metrics (TRM), a post-hoc terminal-ranking method for fixed latent world models. TRM trains a small pairwise head from logged trajectory structure and uses it as a replacement or hybrid cost; the encoder, dynamics, sampler, optimizer, and evaluation manifests remain fixed. The key design choice is horizon-aware supervision: the metric is trained on broad, balanced temporal separations to match the long-horizon terminal candidate ranking problem. On a hard TwoRoom benchmark, raw latent planning with LeWorldModel (LeWM) reaches 7.0% success, while full-horizon TRM reaches 97.0%; shuffled temporal-label controls stay at 0.0%. The same recipe improves a PLDM baseline from 32.7% to 84.0% across three seeds, and a short-horizon TRM variant reaches only 35.0% with the 100,000 pair budget. In TwoRoom, we provide mechanistic evidence for why TRM works: XY position is linearly decodable (R^2=0.998), yet raw latent MSE misranks candidates; the XY-probe rowspace accounts for less than 1% of terminal-goal latent MSE but carries most candidate-quality signal; and SCSA audits show that TRM improves the ordering and selected endpoint seen by the planner. On PushT go50/go75, TRM-style task-state metrics improve SCSA ranking and selected final distance more cleanly than closed-loop success, motivating auxiliary hybrid costs in continuous manipulation. TRM is the planner-facing repair, and audits explain when terminal reachability metrics should replace or augment raw latent proximity.
Authors: Jinyang Wu, Guocheng Zhai, Ruihan Jin, Yuhao Shen, Zhengxi Lu, Fan Zhang, Haoran Luo, Zheng Lian, Zhengqi Wen, Jianhua Tao
Abstract: The proliferation of large language models (LLMs) and modular skills has endowed autonomous agents with increasingly powerful capabilities. Existing frameworks typically rely on monolithic LLMs and fixed logic to interface with these skills. This gives rise to a critical bottleneck: different LLMs offer distinct advantages across diverse domains, yet current frameworks fail to exploit the complementary strengths of models and skills, thereby limiting their performance on downstream tasks. In this paper, we present Maestro (Multimodal Agent for Expert-Skill Targeted Reinforced Orchestration), a Reinforcement Learning (RL)-driven orchestration framework that reframes heterogeneous multimodal tasks as a sequential decision-making process over a hierarchical model-skill registry. Rather than consolidating all knowledge into a single model, Maestro trains a lightweight policy to dynamically compose ensembles of frozen expert models and a two-tier skill library, deciding at each step whether to invoke an external expert, which model-skill pair to select, and when to terminate. The policy is optimized via outcome-based RL, requiring no step-level supervision. We evaluate Maestro across ten representative multimodal benchmarks spanning mathematical reasoning, chart understanding, high-resolution perception, and domain-specific analysis. With only a 4B orchestrator, Maestro achieves an average accuracy of 70.1%, surpassing both GPT-5 (69.3%) and Gemini-2.5-Pro (68.7%). Crucially, the learned coordination policy generalizes to unseen models and skills without retraining: augmenting the registry with out-of-domain experts yields a 59.5% average on four challenging benchmarks, outperforming all closed-source baselines. Maestro further maintains high computational efficiency with low latency. The source code is available at https://github.com/jinyangwu/Maestro.
Authors: Pengyuan Zhu, Ivor W. Tsang, Yueming Lyu
Abstract: Neural operators have achieved significant success in modern scientific computing due to their flexibility and strong generalization capabilities. Existing models, however, primarily rely on first-order kernel integral approximations, which severely limit their expressivity. To address this, we propose the Infinite-order Kernel Neural Operator (IKNO), which constructs neural operators via infinite-order kernel integrals and admits an elegant closed-form finite approximation. We develop two complementary infinite-order neural operator constructions: IKNO-Vanilla, which applies the full-kernel resolvent on the product grid via Kronecker eigendecomposition, and IKNO-TP, an alternative tensor-product operator that composes per-axis resolvents. Furthermore, we develop fast computation schemes for both variants of IKNO, which achieve outstanding global information aggregation while maintaining high computational efficiency. Empirically, we evaluate our IKNO on both time-dependent and time-independent benchmarks with arbitrary input shapes, including large-scale industrial datasets. Extensive experiments demonstrate that the IKNO method consistently achieves the SOTA accuracy with significant improvements on nearly all benchmark datasets while maintaining scalability to very large point clouds.
Authors: Jiachang Liu, Andrea Lodi
Abstract: GPUs have significantly accelerated first-order methods for large-scale optimization, especially in continuous optimization. However, this success has not transferred cleanly to problems with discrete variables, combinatorial structure, and nonlinear objectives, such as certifying optimal solutions for cardinality-constrained generalized linear models. Major challenges include the sequential processing of heterogeneous nodes in branch and bound (BnB) and frequent data movement between the CPU and GPU. We propose a simple, generic, and modular CPU--GPU framework that processes multiple BnB nodes in batches on GPUs. The framework is built around a small set of GPU-efficient routines and uses padding together with lightweight custom kernels to handle irregular node data structures. Experiments show one to two orders of magnitude speedups and zero optimality gap on challenging instances. The framework can also be extended to collect the entire Rashomon set, enabling downstream statistical analysis such as variable-importance analysis and model selection under secondary user-specific measures (e.g., AUC in classification).
Authors: Shuche Wang, Adarsh Barik, Vincent Y. F. Tan
Abstract: Bandit convex optimization (BCO) is a fundamental online learning framework with partial feedback, where the learner observes only the loss incurred at the chosen decision point in each round. In this work, we investigate whether optimistic gradient predictions can improve worst-case regret guarantees in a prediction-adaptive manner. Specifically, given gradient predictions $m_t$, we seek regret bounds that scale with the cumulative prediction error $S_T=\sum_{t=1}^T \|\nabla f_t(x_t)-m_t\|^2.$ We first establish a negative result: under the single-point feedback protocol, an unavoidable $\Omega(\sqrt{T})$ regret lower bound persists even when $S_T=o(T)$, showing that the variance of gradient estimation fundamentally obscures the benefit of accurate predictions. To overcome this barrier, we propose \emph{Two-Point Variance-Reduced Optimistic Gradient Descent} (TP-VR-OPT) for the two-point feedback setting. The key idea is a novel variance-reduced gradient estimator whose variance scales with the prediction error rather than the gradient norm. This yields a regret bound of $O\big(\sqrt{d\,\mathbb{E}[S_T]}\big),$ where $d$ is the decision dimension. Complementing this result, we establish an information-theoretic lower bound that scales as $\Omega(\sqrt{\mathbb{E}[S_T]})$, providing a fundamental characterization of the best achievable prediction-adaptive regret and showing that TP-VR-OPT is optimal up to a factor of $\sqrt d$. We further develop adaptive variants that eliminate the need for prior knowledge of $\mathbb{E}[S_T]$ or the horizon $T$, and extend our framework to non-stationary environments, establishing dynamic regret guarantees that adapt simultaneously to the cumulative prediction error and the comparator path length.
Authors: Manuel Noah Riesen, Peter Alfred von Niederh\"ausern
Abstract: Graph of Thoughts (GoT), a generalized form of recent prompting paradigms for large language models (LLMs), has been shown to be useful for elaborate problem solving. By executing a graph of operations, thoughts of the LLM are structured as an arbitrary graph, forming the actual graph of thoughts. Originally, the graph of operations is defined manually, which requires in-depth knowledge about the solution of the problem to solve. Such a static graph of operations is rigid and therefore lacks adaptability. We propose Reinforced Graph of Thoughts (RGoT), an automated approach to the GoT prompting paradigm that leverages reinforcement learning (RL) to adaptively generate a graph of operations from a human-defined set. Results indicate that, under certain constraints, it is possible to construct graphs of operations adaptively to the task's complexity in an automated way.
Authors: Sophia Xiao Pu, Zhaotian Weng, Chengzhi Liu, Jayanth Srinivasa, Gaowen Liu, William Yang Wang, Xin Eric Wang
Abstract: Self-play reinforcement learning trains language models on their own generated tasks, co-evolving a proposer and solver without human labels. Recent systems report strong reasoning gains, but collapse and instability are widely observed and poorly understood. The dominant response treats this as a reward-design problem. We argue instead that self-play stability is governed by two distinct levers: a data-level gate that decides which proposer-generated tasks enter the training pool, and the reward signal that updates the policy on tasks already admitted. Through controlled experiments on a Python output-prediction task and a deterministic-DSL twin task that strips pretraining priors, output ambiguity, and executor noise, we find the two levers are asymmetric. A strict gate is sufficient for stability under every reward variant we test, including a self-consistency reward with no access to ground truth; while no reward variant is sufficient once the gate is removed. This asymmetry exposes a counter-intuitive coupling we call the Grounded Proposer Paradox: a proposer with ground-truth access accelerates collapse faster than an ungrounded one when paired with a self-consistency solver, by concentrating training on clean tasks that form the fastest path to a spurious self-consistent attractor. Replacing the binary gate with a continuous strictness parameter $\varepsilon$ further reveals a two-stage phase transition: training-side metrics decouple at low $\varepsilon$, while validation accuracy holds until $\varepsilon$ is much higher. Data-level gating, not reward calibration, is the binding constraint on self-play stability.
Authors: Yin Jun Phua, Tony Ribeiro, Tuan Nguyen, Katsumi Inoue
Abstract: Backtracking search underlies classical constraint solvers, planners, and theorem provers. Recent transformer-based reasoning systems explore search trees over their own intermediate steps. A common training recipe fits an autoregressive next-token loss on offline solver traces. The model's input at each step is a cumulative trace of all prior decisions. The optimal continue-or-backtrack predictor depends only on the current search state, since two trajectories reaching the same state admit the same viable continuations. We show that decoder-only transformers trained on cumulative traces fail this requirement in two ways: the trace can scatter state features across many positions (scattered retrieval), and the predictor can condition on the trajectory rather than the state (history entanglement). We address scattered retrieval with localization, a trace-level fix that rewrites each decision block to expose state features locally. We address history entanglement with Selective State Attention (SSA), a fixed attention mask that enforces state-based decisions structurally without modifying training data, objective, or parameters. We focus on reactive verification, after propagation has exposed a contradiction. We test SSA on 3-SAT, graph coloring, Blocks World, and backtracking parsing. On same-state pairs that differ only in prior history, SSA emits identical decisions while a cumulative-trained causal baseline does not. Our contribution is a diagnostic of transformer behavior on serialized trajectory data, paired with a structural fix. Pretrained language models that search over their own reasoning steps may face the same failure. Our analysis opens up inference-time context clearing as a candidate way to apply the same isolation without retraining.
Authors: Chengze Li, Lingwei Wei, Li Sun, Hongbo Lv, Jie Yang, Hongrong Zhang, Kening Zheng, Wei-Chieh Huang, Enze Ma, Philip S. Yu
Abstract: Partial differential equation (PDE) foundation models are pretrained networks that forecast how physical fields like velocity and pressure evolve from a single reusable solver. On unfamiliar flows their predictions drift step by step, errors concentrate in a few regions, yet retraining destabilizes the network and uniform post-hoc correction overlooks this spatial concentration. To address this, we propose a frozen-solver post-hoc correction framework, Adaptive Risk-Calibrated Spatial Triage for Auditable Refinement (ARC-STAR). ARC-STAR organizes correction into three stages: a global corrector removes broad solver bias, a blockwise local refiner cleans the post-global residual, and, at deployment, a label-free score routes refinement to high-risk blocks under a compute budget. The framework is designed to be (i) frozen-host, preserving the pretrained solver without fine-tuning; (ii) auditable, with global and local stages trained and evaluated separately for measurable contributions; and (iii) budget-aware, using a blockwise interface that either refines the full field or routes limited compute to high-risk regions. Across five flow benchmarks spanning ten regime cells, ARC-STAR is the only method that cuts velocity rollout error by at least 36x over raw Poseidon on every cell. The global stage reduces raw host error by 91-99%, and the local stage further reduces the remaining post-global residual by up to 94.4%. Our code implementation is available at https://anonymous.4open.science/r/arc_star.
Authors: Maxime Meyer, Mario Michelessa, Caroline Chaux, Vincent Y. F. Tan
Abstract: We study how we can leverage only a handful of characteristics of a transformer's architecture to closely predict the number of different sequences it can output, both qualitatively and quantitatively. We provide an upper bound depending on the length of the prompt, which we show empirically to be tight up to a factor less than 10, across architectures and model sizes. Our analysis also provides a theoretical explanation for previously observed empirical failures of transformers on simple sequence tasks, such as copying and cramming. Formally, we prove that (i) the maximal length of accessible sequences (those that the transformer can output for some prompt) grows linearly with the prompt length, (ii) beyond a critical threshold, the proportion of accessible sequences decays exponentially with sequence length, and (iii) the linear coefficient relating prompt length to accessible sequence length admits a theoretical upper bound. Notably, these results hold even with unbounded context and computation time.
Authors: Bhaskar Ranjan Karn, Dinesh Kumar
Abstract: Complex dynamical systems governed by holomorphic maps such as $z^2 + c$ exhibit fractal boundaries with extreme sensitivity to initial conditions. Accurately modelling these structures from data requires methods that respect the underlying complex-analytic geometry, yet Multi-Layer Perceptrons (MLPs) within Neural Ordinary Differential Equations (Neural ODEs) lack complex-analytic priors, violate the Cauchy--Riemann conditions, and function as opaque approximators incapable of yielding governing equations. We introduce Holomorphic KAN-ODE, a framework that replaces the MLP with a Kolmogorov-Arnold Network (KAN) whose learnable B-spline activations reside on network edges, and incorporates Cauchy--Riemann equations as a differentiable regularization to preserve holomorphic structure. We evaluate on six families of complex dynamical systems spanning polynomial and transcendental classes. With only 280 parameters ($16\times$ fewer than the MLP baseline), the network achieves velocity-field $R^2 > 0.95$ on all six systems, correctly identifies all six governing symbolic families through automatic spline-to-formula fitting, and reconstructs Julia set fractal boundaries with up to 98.0\% agreement. Crucially, the model exhibits only 4\% MSE degradation under 10\% observation noise versus $15.2\times$ for MLPs, and achieves 90.4\% improvement in transfer learning from quadratic to cubic dynamics. While the MLP attains lower pointwise reconstruction error due to its larger capacity, the KAN uniquely provides interpretable symbolic equations, enforced holomorphic structure, and superior noise resilience, capabilities that are entirely absent in black-box architectures. These results establish KANs as a parameter-efficient, interpretable alternative to MLPs for physics-informed discovery of holomorphic dynamics.
Authors: Birgit K\"uhbacher, Daan Crommelin, Niki Kilbertus
Abstract: Weather and climate forecasts are inherently uncertain due to chaotic dynamics, imperfect initial conditions, and incomplete representation of the underlying physical processes. Operational ensemble forecasts aim to represent these uncertainties through forecast spread, yet many approaches yield underdispersive estimates, with spread that grows too slowly relative to forecast error. Using the two-scale Lorenz 1996 system as a widely used, controlled testbed, we design a systematic approach to disentangle intrinsic variability, initial-condition perturbations, and stochastic model uncertainty. We compare multiple ensemble configurations and parameterization strategies, including existing deterministic and autoregressive as well as novel Bayesian and flow-based approaches. Our results show that ensemble perturbations do not increase the system's long-term variance; rather, they regulate how rapidly trajectories decorrelate and explore the invariant measure. Stochastic parameterizations, particularly those with temporally persistent structure, enhance early spread growth and improve spread-error consistency. Overall, we bring clarity to how different sources of uncertainty interact in a chaotic system and provide guidance for the design and evaluation of stochastic parameterizations in weather and climate models.
Authors: Junyu Yan, Damian Machlanski, Kurt Butler, Panagiotis Dimitrakopoulos, Ewen M Harrison, Bruce Guthrie, Sotirios A Tsaftaris
Abstract: Predictive modelling is important for health data analysis and data-driven clinical decision-making. However, predictive studies are challenging to design optimally by hand when tens or even hundreds of features require selection, transformation, or interaction modelling. While complex machine learning models offer high performance, their "black-box" nature limits the clinical trust, transparency, and interpretability required for decision-making. We developed and evaluated an Exploratory AI Recommender that provides data-driven recommendations to improve predictive performance of existing interpretable statistical models. The developed framework uses flexible AI modelling to capture complex data patterns and explainable AI techniques to translate the patterns into three recommendation types: feature exclusion, non-linear terms, and feature interactions. We evaluated the framework by comparing predictive performance of a baseline (i.e., no interactions or non-linear terms) Cox Proportional Hazards (CPH) model against an augmented CPH incorporating recommendations suggested by our method. The primary analysis predicts the time to the first occurrence of a fall or related injury in 245,614 patients. Our method recommended excluding 23 features, including non-linear terms for two features, and including 221 suggested feature interactions. The C-index improved from 0.805 (95% CI 0.798-0.812) to 0.815 (95% CI 0.809-0.822), and so did calibration (intercept: -0.006 to 0.003; slope: 1.063 to 0.950). All recommendations were supported by existing literature. The method also proved effective on two additional public datasets, demonstrating wider applicability. The proposed Exploratory AI Recommender demonstrates the potential of explainable AI and data-driven study design to improve the process of developing, and the performance of high-dimensional transparent predictive models.
Authors: Bradley Stanley-Clamp, Anson Lei, Hannah M. Christensen, Ingmar Posner
Abstract: Climate emulation is an out-of-distribution (OOD) projection task. This is precisely the challenge where modern Machine Learning (ML) methods are most prone to failure. Consequently, while current ML emulators trained on present climate achieve high in-distribution performance, their future reliability under the inevitable distribution shifts of a changing climate remains a critical, poorly understood blind spot. Addressing this challenge requires a fundamental shift in how we understand, evaluate, and design climate emulators. In this work, we first confirm that climate change drives a statistically significant and progressively growing shift in atmospheric state distributions, rendering standard evaluation protocols insufficient. We empirically establish that seasonal variation serves as an effective proxy for these long-term climate shifts, providing access to $\textit{real-world}$ distribution shifts without recourse to heuristics like synthetic perturbations. Motivated by this link, we introduce a novel evaluation framework that leverages seasonal shifts as a rigorous, zero-overhead testbed for emulator robustness. Our systematic characterisation confirms that current state-of-the-art hybrid-ML emulators degrade significantly under these realistic shifts. Finally, we chart a path forward by identifying compositional generalisation, the ability to form novel combinations from observed elementary components, as a principled route towards robust climate emulation. We demonstrate that physically motivated decompositions substantially improve OOD performance with only modest trade-offs against in-distribution performance, providing an avenue towards ML-driven climate emulators robust to an unknown future.
Authors: Krzysztof Olejniczak, Radoslav Dimitrov, Xingyue Huang, Bernardo Cuenca Grau, Jinwoo Kim, \.Ismail \.Ilkan Ceylan
Abstract: Formal theorem provers based on large language models (LLMs) are highly sensitive to superficial variations in problem representation: semantically equivalent statements can exhibit drastically different proof success rates, revealing a failure to respect structural symmetries inherent in formal mathematics. This raises a central question: what are the right symmetries for formal theorem proving? We introduce rewriting categories, a category-theoretic framework capturing the compositional, generally non-invertible transformations induced by proof tactics, and use it to formalize two symmetry notions: proof equivariance, governing how proof distributions transform under rewrites, and success invariance (i.e., invariance of success probability), requiring equivalent statements to be solved with the same probability. We observe that state-based next-tactic provers naturally satisfy proof equivariance by operating on proof states. In contrast, state-of-the-art LLM-based provers satisfy neither property, exhibiting large performance variation across equivalent formulations. To mitigate this, we propose test-time methods that aggregate over equivalent rewritings of the input, showing theoretically that they recover success invariance in the sampling limit, and empirically, that they improve robustness and performance under fixed inference budgets. Our results highlight symmetry as a key missing inductive bias in LLM-based theorem proving and suggest test-time computation as a practical route to approximate it.
Authors: Jan Nausner, Michael Hubner
Abstract: Heterogeneous sensor fusion is vital for detecting, localizing, and classifying CBRNE threats. However, individual sensors are often only capable of detecting a subset of relevant threats with varying reliability or can even provide only indirect threat indications, making threat classification challenging. Furthermore, high clutter rates on the sensor side present a great challenge for fusion systems. Additionally, the limited availability of high quality datasets hinders the advancement of learning-based detection and classification models in smart sensors. To mitigate these sensor related shortcomings, a context-aware and domain knowledge-enhanced fusion process is proposed. First, a novel evidence hierarchy is established that enables modeling of direct, indicative, and contextual information. Second, contextual information about the environment is introduced into the fusion process, by collecting, processing, and exploiting OSINT inputs. Third, all levels of the evidence hierarchy are used to craft a Bayesian threat type classification mechanism with domain knowledge-informed priors. The proposed methodology is evaluated in simulated scenarios, and the results demonstrate the benefit of the proposed fusion approach in terms of robustness to clutter and prior mismatch, with an overall classification accuracy of up to 95%.
Authors: Hongbin Zhang, Chaozheng Wang, Kehai Chen, Youcheng Pan, Yang Xiang, Jinpeng Wang, Min Zhang
Abstract: On-policy self-distillation (OPSD) is an emerging LLM post-training paradigm in which the model serves as its own teacher: conditioned on privileged information such as a reference trace or hint, the same policy provides dense token-level supervision on its own rollouts. However, recent studies show that OPSD degrades complex reasoning by suppressing predictive uncertainty, which supports exploration and hypothesis revision. Our token-level analysis shows that this failure arises from applying a uniform direction of teacher supervision across tokens with different uncertainty levels: conformity to the privileged self-teacher suppresses exploration at high entropy, while deviation from the teacher degrades step accuracy at low entropy. Accordingly, we propose \textbf{Direction-Adaptive Self-Distillation} (\textbf{DASD}), which reframes privileged self-distillation from uniform teacher imitation into entropy-routed directional supervision: high-entropy tokens are pushed away from the privileged teacher to preserve exploration, while low-entropy tokens are pulled toward the teacher to stabilize step-level execution. Across six mathematical reasoning benchmarks, DASD achieves the best macro Avg@16 over strong RLVR and self-distillation baselines. Pass@$k$, reasoning-health, and generalization analyses show that these average gains come from preserving exploration without sacrificing step-level execution.
Authors: Cristian P\'erez-Corral, Jose I. Mestre, Alberto Fern\'andez-Hern\'andez, Manuel F. Dolz, Enrique S. Quitana-Ort\'i
Abstract: Federated learning enables collaborative training across distributed clients with heterogeneous data, but such heterogeneity often leads to unstable updates and degraded global performance. Moreover, in practical deployments, client updates may deviate from the expected behavior not only due to benign not i.i.d. distributions, but also due to distributional shifts or anomalous inputs, raising concerns about the reliability of the aggregation process. In this work, we propose a lightweight geometric signal to quantify the functional deviation of a client with respect to the global model. Instead of comparing model parameters or gradients, our approach measures how the local training of each client alters the activation-induced partition of the input space, evaluated on a shared probe set. This yields a permutation-invariant, interpretable metric of client--global divergence that captures differences in how data is processed by the model. We show that this signal effectively identifies clients that induce atypical functional changes, distinguishing stable yet heterogeneous clients from those whose updates significantly diverge from the global regime. As a result, the proposed metric provides a simple tool for monitoring client behavior and enabling risk-aware aggregation strategies in federated learning systems.
Authors: Artur Miroszewski
Abstract: Kernel methods are typically formulated under the assumption of exact, noise-free access to the Gram matrix. However, in emerging settings such as quantum machine learning, each kernel entry must be inferred from noisy observations, and its accuracy depends on how a limited measurement budget is allocated. Despite this, existing approaches overwhelmingly rely on uniform allocation, which equalizes estimator variance but ignores the highly non-uniform dependence of kernelized classifiers on the Gram matrix. In this work, we introduce an adaptive measurement-allocation strategy for learning kernelized Support Vector Machines (SVMs) from noisy Bernoulli observations. Our approach combines two complementary principles: (i) geometric sensitivity, capturing how perturbations of individual kernel entries affect the classifier margin, and (ii) active-set instability, quantifying the probability of discrete changes in support-vector membership induced by measurement noise. These signals define a task-aware allocation scheme that concentrates measurements on the most decision-critical regions of the kernel matrix. We provide a theoretical analysis showing that the benefit of adaptive allocation is governed by the heterogeneity of the induced kernel importance structure, leading to distinct regimes in which adaptive or uniform strategies are preferable. Empirical evaluations on synthetic datasets demonstrate that adaptive allocation significantly improves support-vector recovery, margin estimation, and decision-function accuracy under fixed measurement budgets. A dual-coefficient stability criterion further enables early stopping, achieving near-optimal performance while using only a fraction of the measurement cost. Additional experiments on quantum kernels derived from real-world data reveal a regime-dependent behavior aligned with known phenomena such as kernel concentration. Together...
Authors: Zhaomin Wu, Jiayi Li, Bingsheng He
Abstract: Text-based counseling is an important interface for AI mental-health support, where transcripts may be used to monitor depression severity and flag sessions requiring timely human review. However, robust PHQ-8 prediction across session regimes remains challenging: fine-tuning-based methods can exploit richer supervision but may generalize poorly under data scarcity, while prompt-based LLM methods are data-efficient but usually treat each transcript holistically and provide limited support for longitudinal context. We study robust depression tracking from counseling transcripts across single-session and multi-session regimes. We introduce LongCounsel, a multi-session counseling dataset with session-level PHQ-8 supervision for evaluating repeated-session tracking under partial symptom disclosure and cross-session continuity. We further propose EmoTrack, a PHQ-8 prediction framework that combines LLM-extracted clinical signals with frozen turn-level semantic embeddings and trains symptom-specific predictors over the resulting transcript representation. When prior sessions are available, EmoTrack can further incorporate them through compact cross-session memory. Experiments on LongCounsel and DAIC-WOZ show that EmoTrack achieves a clear gain on the real single-session benchmark, including a 13.5% relative MAE reduction over the strongest DAIC-WOZ baseline, and remains competitive with the strongest longitudinal baseline on LongCounsel.
Authors: Giovani Valdrighi, Isabel Valera, Marcos Medeiros Raimundo
Abstract: Long-term fairness algorithms aim to satisfy fairness beyond static and short-term notions by accounting for the dynamics between decision-making policies and population behavior. Most previous approaches evaluate performance and fairness measures from observable features and a label, which is assumed to be fully observed. However, in scenarios such as hiring or lending, the labels (e.g., ability to repay the loan) are selective labels as they are only revealed based on positive decisions (e.g., when a loan is granted). In this paper, we study long-term fairness in the selective labels setting and analytically show that naive solutions do not guarantee fairness. To address this gap, we then introduce a novel framework that leverages both the observed data and a label predictor model to estimate the true fairness measure value by decomposing it into the observed fairness and bias from label predictions. This allows us to derive sufficient conditions to satisfy true fairness from observable quantities by using the confidence in the predictor model. Finally, we rely on our theoretical results to propose a novel reinforcement learning algorithm for effective long-term fair decision-making with selective labels. In semisynthetic environments, the proposed algorithm reached comparable fairness and performance to an agent with oracle access to the true labels.
Authors: Di He, Songjun Tu, Keyu Wang, Lu Yin, Shiwei Liu
Abstract: Learning rate configuration is a fundamental aspect of modern deep learning. The prevailing practice of applying a uniform learning rate across all layers overlooks the structural heterogeneity of Transformers, potentially limiting their effectiveness as the backbone of Large Language Models (LLMs). In this paper, we introduce Layerwise Learning Rate (LLR), an adaptive scheme that assigns distinct learning rates to individual Transformer layers. Our method is grounded in Heavy-Tailed Self-Regularization (HT-SR) theory, which characterizes the empirical spectral density (ESD) of weight correlation matrices to quantify heavy-tailedness. Layers with weaker heavy-tailedness are assigned larger learning rates to accelerate their training, while layers with stronger heavy-tailedness receive smaller learning rates. By tailoring learning rates in this manner, LLR promotes balanced training across layers, leading to faster convergence and improved generalization. Extensive experiments across architectures (from LLaMA to GPT-nano), optimizers (AdamW and Muon), and parameter scales (60M-1B) demonstrate that LLR achieves up to 1.5x training speedup and outperforms baselines, notably raising average zero-shot accuracy from 47.09% to 49.02%. A key advantage of LLR is its low tuning overhead: it transfers nearly optimal LR settings directly from the uniform baseline. Code is available at https://github.com/hed-ucas/Layer-wise-Learning-Rate.
Authors: Stefan Huber, Hannes Unger, Georg Sch\"afer, Jakob Rehrl
Abstract: We analytically solve the Mountain Car problem, a canonical benchmark in RL, and derive an optimal control solution, closing a gap after 36 years. This enables us to reveal two surprising insights: The optimal control is quite simple, yet modern RL agents display a large gap to optimality. Motivated by the analysis of the optimal control, we introduce Chebyshev policies as a universal (i.e. dense) class of RL policies from first principles. They can be trained as drop-in replacements of neural nets, reducing the regret by a factor of 4.18, while requiring 277 times fewer parameters, fostering sample efficiency, explainability and realtime capability. Chebyshev policies are evaluated on further RL tasks, including a real-world nonlinear motion control testbed. They consistently improve performance over neural nets with PPO, ARS and REINFORCE. Our results demonstrate how Chebyshev policies offer a compelling and lightweight alternative or addition to neural nets for low-dimensional control tasks.
Authors: Santiago Ospitia, John Sanabria, John Garcia-Henao
Abstract: Despite strong predictive results in the clinical machine learning literature, the translation of these models into bedside use remains limited by systems-level barriers: heterogeneous data representations, the absence of standardized deployment workflows, and a mismatch between research prototypes and the concurrency and latency requirements of hospital environments. We present the SepsisAI-Orchestrator, an open-source modular platform that addresses this deployment gap for early sepsis detection. The platform integrates HL7 FHIR-inspired Clinical Document Architecture (CDA) preprocessing, NoSQL storage, a containerized LightGBM classifier served via REST APIs, and a Streamlit clinical dashboard, orchestrated with Docker and Kubernetes. A previously validated LightGBM model (F1 0.87-0.94 on PhysioNet 2019) is reused without modification; the contribution lies in the surrounding infrastructure and its empirical characterization under load. Using k6 with 50-1000 concurrent virtual users, we find that replica count must be matched to the physical CPU thread count of the host: scaling from 3 to 12 replicas on a 12-thread CPU reduces p95 latency from 3.3s to 1.41s (57.3% reduction) and eliminates all request failures, while over-provisioning to 24 or 48 replicas degrades performance due to scheduler contention. To our knowledge this U-shaped scaling behavior has not been quantified previously for clinical AI inference workloads. We do not claim prospective clinical validation. Source code and deployment manifests are available at https://github.com/nucleusai/sepsisai-orchestrator.
Authors: Mario Severino, Manuela Moretto, Robert A. McCutcheon, Mattia Veronese
Abstract: Correlation matrices are fundamental summaries of functional brain networks, yet standard analyses often treat entries independently, ignoring the curved geometry of correlation space. Existing geometric methods frequently lack closed-form operations or depend on arbitrary region ordering, limiting scalability. We introduce a scalable geometric framework with two components: (i) the Off-log metric, a smooth transformation mapping correlation matrices to symmetric zero-diagonal matrices. This enables closed-form expressions for distances, Frechet means, and linear models, allowing standard statistical modeling without complex manifold optimization. (ii) Grassmannian subspace discrimination, which compares subjects via principal-angle distances between eigenvector subspaces, resolving inherent sign and basis ambiguities. Both components integrate into standard machine-learning workflows for inference, regression, and classification. Validated across two clinical cohorts (Parkinson's and psychosis) and three ageing fMRI datasets, the Off-log metric increased sensitivity in permutation tests and matched or exceeded Riemannian and Euclidean baselines in classification. Brain-age prediction performance was comparable, with Riemannian metrics excelling in two of three cohorts. The Grassmannian method consistently outperformed Euclidean baselines, highlighting disease-relevant networks. Overall, geometry-aware representations improve sensitivity and predictive performance while remaining straightforward to deploy at scale.
Authors: Sascha Xu, Sarah Mameche, Jilles Vreeken
Abstract: In-context learning for tabular data sets strong predictive standards in observational settings; it however primarily relies on correlational structure, which becomes unreliable under distribution shift or intervention. While established methods to discover causal structure exist, they are often focused on structure identifiability and decoupled from the predictive architectures that could benefit from them. To bridge these perspectives, we study how to simultaneously infer and enforce causal structure in the form of topological variable orderings into tabular prediction. Unlike standard architectures, our model TabOrder uses causal order-constrained attention, basing predictions only on features that precede a target under a learned causal order. Similar to causal discovery methods, TabOrder learns the optimal variable ordering in an unsupervised manner through a likelihood-based objective. We justify this choice under standard functional model classes and also study how sample missingness, a common challenge in tabular data, interacts with causal direction identification. Empirically, we confirm that TabOrder recovers accurate variable orderings while addressing prediction and imputation tasks, as well as gives insight into real-world biological data under intervention.
Authors: Ziyuan Zhu, Keyu Hu, Zhifei Chen, Yuhao Shi, Ming Bao, Jing Zhao, Gang Wang, Haitan Xu, Jiadong Li, Qijun Zhao, Xiaodong Li, Minghui Lu, Yanfeng Chen
Abstract: Reconstructing continuous physical fields from sparse measurements is a central inverse problem, but data-driven generative models can produce states that violate governing dynamics. We introduce a physics-informed generative solver that separates stable prior learning from inference-time enforcement of conservation laws. Martingale-Regularized Score Matching regularizes score pretraining with a Score Fokker-Planck constraint, yielding a dynamically stable prior. Physics-Informed Implicit Score Sampling then guides denoising trajectories by gradients of physical residuals, projecting samples toward admissible manifolds without retraining. In acoustics, the method co-generates pressure and particle velocity from sparse sensors, enabling dense virtual arrays that suppress spatial aliasing. The same framework generalizes to real-world ERA5 meteorological fields under extreme sparsity. Together, this work establishes a rigorous and generalizable paradigm for solving high-dimensional inverse problems, bridging the gap between generative artificial intelligence and first-principles science.
Authors: Siyu Pu, Qingqing Long, Xiaohan Huang, Haotian Chen, Jiajia Wang, Meng Xiao, Xiao Luo, Hengshu Zhu, Yuanchun Zhou, Xuezhi Wang
Abstract: Single-cell RNA sequencing (scRNA-seq) provides high-dimensional profiles of cellular states, enabling data-driven modeling of cellular dynamics over time. In practice, time-resolved scRNA-seq is collected at only a few discrete time points as unpaired snapshot populations, leaving substantial temporal gaps. This motivates trajectory inference at unmeasured time points. Existing methods mainly follow two directions, optimal-transport (OT) alignment provides distribution-level matching between observed snapshots, while continuous-time generative models support forecasting via learned dynamics. However, two challenges remain: (i) unpaired snapshots render local transitions between adjacent time points ambiguous, leading to unstable supervision; and (ii) long-horizon prediction relies on repeated integration, where small modeling errors compound and cause distribution drift. To address these challenges, we propose single-cell Flow Matching (scFM), a latent generative framework based on coupling-conditioned flow matching. First, we compute entropically regularized OT couplings between adjacent snapshots and use them to construct soft, weighted flow-matching targets for learning time-dependent velocity fields. Second, we learn bidirectional velocity fields and leverage their consistency to refine couplings and improve temporal coherence under sparse supervision. Third, we introduce distribution-level alignment and latent dynamic regularization to anchor long rollouts and mitigate drift. Experiments on real-world time-series scRNA-seq datasets show that scFM consistently improves distributional prediction performance for both temporal interpolation and extrapolation. Moreover, scFM yields more accurate trajectory reconstruction and temporally coherent visualizations where intermediate time points are absent, indicating a more faithful recovery of underlying temporal gene expression dynamics.
Authors: Marcel K\"uhn, Yoon Thelge, Bernd Rosenow
Abstract: Hard-label classification is usually trained with smooth surrogate losses, most prominently softmax cross-entropy. We isolate an asymptotic mechanism by which this mismatch between smooth surrogate and discrete labels produces power-law learning curves in an online teacher-student model. After subtracting the mean logit, the thermodynamic-limit dynamics close in centered variables: a growing centered student-teacher alignment $D$ and the residual student variance $\Delta$. At late times, examples away from teacher decision boundaries are already classified confidently and contribute exponentially little. Only boundary layers of width $O(D^{-1})$ remain active, while the noise of fixed-learning-rate online gradient descent maintains a nonzero $\Delta$. As a function of the training time $\alpha$ the late-time solution yields a $\alpha^{-1/3}$ power law not only for the test loss but also for the generalization error $\epsilon_g$, i.e., one minus test accuracy. This is much slower than the $\alpha^{-1}$ Bayes-optimal reference for the same model. We further show that learning-rate schedules can improve the generalization error towards a $\epsilon_g \sim \alpha^{-1/2}$ power law. Simulations support the predicted order parameter dynamics and learning curves. Controlled experiments with correlated Gaussian inputs and whitened pretrained features show that data structure can dominate transients. Therefore, our result is an asymptotic, complementary mechanism rather than an alternative to spectral explanations of neural scaling laws.
Authors: Fabian Morelli, Stephan Eckstein
Abstract: Ensembles of neural networks typically outperform individual networks but incur large computational costs, whereas weight aggregation produces less costly, yet also less accurate, aggregate models. We introduce partial fusion of networks, which interpolates between ensembles and weight aggregation and thus allows for a flexible tradeoff between computational cost and performance. A direct way to achieve this is to extend existing weight aggregation methods based on neuron-level similarity between different networks, where partial fusion then only aggregates weights of neurons which are most similar. We showcase one particular method to jointly identify which neurons are most similar and match them via partial optimal transport. Further, we consider the more general perspective of weight aggregation and partial fusion as generalized pruning of ensemble models, where neurons cannot just be deleted, but also linearly combined. Finally, we show that generalized pruning applied to a single network yields similar benefits as partial fusion by allowing for a tradeoff between isolating, deleting, and linearly combining neurons based on similarity. Our code is available at https://github.com/Fabian-Mor/partial_fusion_nn.
Authors: Yifan Bai, Xiaoyang Liu, Zihao Mou, Guihong Wang, Jian Yu, Shuhan Xie, Yantao Li, Yangyu Zhang, Jingwei Liang, Tao Luo
Abstract: As large language models (LLMs) are increasingly deployed for software engineering, constructing high-quality benchmarks is crucial for evaluating not just the functional correctness, but also the formal verifiability of generated code. However, existing benchmarks are limited by the quantity and quality of positive and negative test cases, leading to an overestimation of model capabilities in generating specifications and implementations. To address this, we propose VeriScale, a novel framework driven by the adversarial implementations. It consists of two stages: test-suite expansion to construct diverse and challenging test cases, and test-suite reduction to distill them into compact yet discriminative suites. While VeriScale is general, we instantiate it on Verina to construct VerinaPlus, which expands the original test suites by over 83$\times$, and VerinaLite, a lightweight 14$\times$ variant. Our experiments across eight state-of-the-art LLMs demonstrate that VerinaPlus exposes substantial model weaknesses hidden by the original benchmark, evidenced by sharp score drops on both SpecGen and CodeGen tasks, whereas VerinaLite maintains this discriminative power at a fraction of the evaluation cost. The enhanced benchmarks and source code are publicly available at https://github.com/XiaoyangLiu-sjtu/VeriScale.
Authors: Jaehyuk Lee, Hanyoung Kim, Yanggee Kim, Donghun Lee
Abstract: Vision Transformers (ViTs) face severe computational bottlenecks due to the quadratic complexity of self-attention at high resolutions. Existing token reduction methods rely on local metrics - such as single-layer attention scores - that are inherently vulnerable to the attention sink phenomenon, where uninformative tokens are paradoxically preserved over salient foreground objects. We propose ASAP (Attention Sink Anchored Pruning), a training-free framework that recasts this sink as a feature. Modeling ViT information flow as a Lazy Random Walk, ASAP identifies the sink as a dominant accumulator of probability mass. By computing the diffusion distance to the sink within the cumulative transition matrix, ASAP partitions tokens via Radial Diffusion Clustering and compresses background redundancy through Transition Weight Pooling in a single shot. Extensive experiments across image, video, and vision-language tasks demonstrate ASAP outperforms state-of-the-art methods, accelerating throughput by up to 48% while maintaining - or even exceeding - baseline accuracy.
Authors: Anthony Hughes, Alexander Goldberg, Prince Jha, Adam Perer, Nikolaos Aletras, Niloofar Mireshghallah
Abstract: Safety classifiers are essential safeguards within generative AI systems, filtering harmful content or identifying at-risk users when interacting with large language models. Despite their necessity, these models are trained on sensitive datasets including discussions of self-harm and mental health, raising important, yet poorly understood, privacy concerns. Membership inference attacks (MIAs) allow adversaries to infer membership of examples used to train models. In this work, we hypothesize that identifying the examples on which the classifier is least confident are informative for an adversary to infer membership. This reflects a localized failure of generalization, where the model relies on memorization to resolve ambiguity in the training set. To investigate this, we introduce a new boundary-targeted selection strategy that identifies low confidence examples that amplify the signal of an examples membership within a training set. Our experimental results show that an adversary can recover 19\% of the conversations a safety classifier flagged as indicating user distress, at a 5\% false-positive rate, on a classifier fine-tuned for detecting a user who may require emotional support. This is $3.5$ times more than attacking using state-of-the-art MIA methods alone. Finally, we characterize the boundary laying examples and show that content-based filtering is ineffective for protection, and existing noise strategies can effectively mitigate susceptibility of these examples.
Authors: Wei Liu, Ting Long
Abstract: Cross-domain offline reinforcement learning (CDRL) aims to improve policy learning in a target domain by leveraging data collected from a source domain. Existing works typically assess the transferability of source-domain data by measuring its similarity to target-domain transitions, and implicitly perform transition-level selection. Transitions that are considered similar are assigned higher weights or rewards, while dissimilar ones are down-weighted. However, transition-level similarity does not necessarily imply consistency in long-term returns. Even visually or dynamically similar transitions may lead to significantly different outcomes in the target domain, which can mislead policy learning and degrade performance. To address this issue, we revisit the fundamental objective of policy learning. Since policy optimization ultimately relies on Bellman targets to evaluate the quality of decisions, we propose to assess the transferability of source-domain transitions based on their alignment with target-domain Bellman targets, rather than superficial transition similarity. Based on this insight, we propose a method termed Target-Aligned Bellman Backup (TABB), which selectively leverages source-domain data by measuring their contribution to accurate Bellman target estimation in the target domain. We evaluate TABB across a broad range of cross-domain offline RL settings with highly limited target-domain data. Experimental results show that TABB consistently achieves strong performance.
Authors: Sayantani Ghosh, Rajashik Datta, Amit Kumar Das, Amlan Chakrabarti
Abstract: Transformer-based language models such as BERT having 110M+ parameters have revolutionized natural language understanding, yet their internal mechanisms remain largely opaque to researchers and practitioners. Traditional attention-based interpretability methods often emphasize structurally important but semantically weak tokens such as punctuation marks rather than meaningful semantic relationships. This work introduces a lightweight and model-agnostic framework for quantifying token-level representational importance using hidden-state activation strengths at Layer 8 of BERT. The proposed Activation Flow Network (AFN) framework computes Token Activation Strength using the L2 norm of Layer-8 hidden representations, enabling direct ranking of semantically salient tokens. The study further introduces a threshold-based activation bucket formulation that partitions tokens into HIGH-activation and LOW-activation groups using an empirical upper-quartile activation boundary. Experimental observations demonstrate that semantically meaningful content words consistently occupy the HIGH-activation bucket and dominate representational activation shifts, while structurally supportive tokens contribute comparatively less. The results suggest that Layer 8 acts as a critical semantic consolidation zone balancing structural and semantic information processing. By revealing how activation magnitudes concentrate around semantically informative tokens, this work provides an interpretable and computationally efficient alternative to attentioncentric analysis, contributing toward transforming BERT from a "black box" into a more transparent "glass box" model for natural language understanding.
Authors: Ping Xiong, Thomas Schnake, Gr\'egoire Montavon, Klaus-Robert M\"uller, Shinichi Nakajima
Abstract: Explaining graph neural networks (GNNs) has become more and more important recently. Higher-order interpretation schemes, such as GNN-LRP (layer-wise relevance propagation for GNN), emerged as powerful tools for unraveling how different features interact thereby contributing to explaining GNNs. GNN-LRP gives a relevance attribution of walks between nodes at each layer, and the subgraph attribution is expressed as a sum over exponentially many such walks. In this work, we demonstrate that such exponential complexity can be avoided. In particular, we propose novel algorithms that enable to attribute subgraphs with GNN-LRP in linear-time (w.r.t. the network depth). Our algorithms are derived via message passing techniques that make use of the distributive property, thereby directly computing quantities for higher-order explanations. We further adapt our efficient algorithms to compute a generalization of subgraph attributions that also takes into account the neighboring graph features. Experimental results show the significant acceleration of the proposed algorithms and demonstrate the high usefulness and scalability of our novel generalized subgraph attribution method.
Authors: Houxuan Zhou, Sriram Prasad, Chenghao Huang, Jiajie Feng, Hao Wang
Abstract: Accurate electricity price forecasting (EPF) is essential for market participants to support operational planning and risk management, yet remains challenging due to strong volatility, nonlinear dynamics, and frequent extreme price spikes. These challenges are particularly pronounced in the Australian National Electricity Market (NEM), where high renewable penetration further increases uncertainty. This paper investigates week-ahead electricity price forecasting and proposes a hybrid KAN+XGBoost framework that integrates Kolmogorov-Arnold Networks (KAN) with tree-based learning. The proposed approach combines the global nonlinear representation capability of KAN with the local robustness of XGBoost to capture both long-term dependencies and short-term price fluctuations. Experiments are conducted on real-world NEM data using an expanding window evaluation strategy. The results demonstrate that the proposed model outperforms benchmark methods, including SARIMAX, Long Short-Term Memory (LSTM), standalone KAN, and XGBoost, reducing MAE by approximately 12% compared to XGBoost and by over 50% compared to a naive baseline. The results suggest that hybrid learning strategies provide an effective and robust solution for electricity price forecasting in highly dynamic electricity markets.
Authors: Yinsong Chen, Samson S. Yu, Kashem M. Muttaqi
Abstract: Accurate wind power forecasting requires reliable uncertainty quantification, yet most existing methods report a single predictive uncertainty that conflates epistemic and aleatoric sources. This paper applies the law of total variance to the joint setting of heteroscedastic neural network regression and Bayesian posterior approximation, deriving an explicit decomposition of total uncertainty (TU) into aleatoric (AU) and epistemic (EU) components. The resulting estimators are compatible with standard posterior-approximation methods and with $\beta$-NLL training to regulate the mean--variance learning trade-off. A wind power--specific evaluation framework is proposed to validate disentanglement without access to ground-truth uncertainty labels, comprising three modules: controlled synthetic experiments to verify responses to heteroscedastic noise and distribution shift; data-property--driven validation on a real-world wind turbine SCADA dataset; and dataset-size scaling experiments to examine the predicted asymptotic behavior of EU. Across synthetic and real-world experiments, the decomposed AU and EU components respond in theoretically consistent directions to noise structure, distributional shift, and training-scale variation, supporting the theoretical consistency and operational utility of the proposed decomposition and evaluation protocol.
Authors: Nils Leutenegger
Abstract: Does the relationship between learning rules and brain alignment generalize across species? We extend our prior finding that untrained CNNs match backpropagation at human V1 by testing the same five learning rules against macaque electrophysiology. The rules are backpropagation (BP), feedback alignment (FA), predictive coding (PC), spike-timing-dependent plasticity (STDP), and an untrained random-weights baseline. The macaque data come from two datasets: MajajHong2015 (V4/IT, 3,200 stimulus presentations, 88/168 neurons) and FreemanZiemba2013 (V1/V2, 135 stimuli, 102/103 neurons). Using RSA with identical model weights from our human study, we find: (1) all models achieve higher alignment with macaque early visual cortex (rho = 0.15-0.30 at V1/V2) than with human fMRI (rho = 0.01-0.08), consistent with the higher signal-to-noise ratio of electrophysiology; (2) STDP and PC produce the highest macaque V1/V2 alignment (rho ~ 0.30 and 0.28), consistent with their leading position among trained rules in human V1; (3) at IT, learning rule rankings show no detectable correlation across species (Kendall's tau = 0.00, p = 1.00), though this null result is expected given that n = 5 provides power only at tau = +/-1.0, and is further confounded by stimulus set differences; (4) a pretrained ResNet-50 (ImageNet) achieves rho = 0.25 at macaque IT, substantially above all custom CNN conditions (rho = 0.07-0.14), suggesting IT alignment is limited by model capacity and training data rather than by the learning rule. Noise ceilings, multi-seed variability (5 seeds), and a stimulus-control analysis are reported. These results demonstrate that early visual alignment is robust across species, while higher-area alignment is modulated by model capacity and stimulus domain.
Authors: Zeqiang Xian, Caihui Liu, Yong Zhang, Wenjing Qiu
Abstract: Spectral clustering largely depends on the affinity graph, yet constructing a graph that preserves reliable local connectivity while adapting to heterogeneous data structures remains challenging. Existing granular-ball-based spectral clustering methods usually reduce graph complexity by using coarse-grained representatives. However, the learned local regions are often treated as graph nodes or anchors, and their structural information is not sufficiently used to regularize the original sample-level graph. To address this issue, this paper proposes a Minimum Description Length based Granular-Ball Tree-Regularized Spectral Clustering method, termed MDL-GBTRSC. The proposed method constructs a granular-ball tree through local MDL model selection, with reciprocal neighborhood continuity used to discourage splits that break reliable local connections. The stable leaf balls obtained from the tree provide coding-scale information for regularizing the sample-level affinity graph. In addition, a shared-neighbor bridge code is introduced to adjust weak local bridge relations without requiring an additional user-specified threshold. In this way, MDL-GBTRSC connects interpretable local representation learning with affinity graph construction in a unified spectral clustering framework. Experiments on real and synthetic datasets show that MDL-GBTRSC achieves the best average ARI and NMI under the adopted fixed-configuration protocol compared with classical spectral clustering baselines and representative granular-ball, micro-cluster, and anchor-based methods.
Authors: An Xuan Nguyen
Abstract: Hybrid language models like Jamba mix attention layers with State Space Models (SSMs), creating two memory cache types with opposite profiles: Key-Value (KV) caches grow linearly with sequence length, while SSM states stay fixed per layer. Current inference engines handle this poorly. Unified pools pad SSM states to attention page sizes, wasting up to 7.3x capacity. Static dual pools cannot adapt when prompt distributions shift between requests. We present Asymmetric Virtual Memory Paging (AVMP). The allocator separates the two cache types into physically distinct pools behind a unified virtual address space, and migrates capacity between pools when one runs out. Migration triggers only on allocation failure, keeping behavior deterministic. We evaluate AVMP across 270 synthetic cells plus 60 cells of ShareGPT trace replay on an RTX 3060 12GB. Out-of-Memory events drop 7.6% and request throughput improves 1.83x to 13.3x across synthetic workloads and 2.36x on ShareGPT. All gains hold under paired-bootstrap 95% confidence intervals. A phase-time breakdown reveals two distinct mechanisms: shorter OOM recovery on capacity-pressured workloads, and faster allocation calls on KV-heavy workloads. Implementation is pure Python; Triton integration is future work.
Authors: Jueun Kim, Baekrok Shin, Jihun Yun, Beomhan Baek, Minhak Song, Chulhee Yun
Abstract: Modern deep learning commonly relies on AdamW with prescribed learning rate schedules, but recent works challenge both components: Schedule-Free optimization removes explicit schedules via iterate averaging, and Muon improves the update geometry by orthogonalizing momentum for matrix parameters. Despite Muon's strong empirical performance, its underlying mechanism remains partially understood. We study Muon through the river-valley loss landscape, where useful training progress occurs along a flat, low-curvature bulk subspace (the river), while high-curvature dominant directions form steep valley walls that induce oscillations. We empirically show that while Muon's orthogonalization accelerates river progress by increasing the bulk component, it also amplifies dominant-direction noise, causing oscillatory trajectories. Building on this, we propose Anytime MUon with Stable gradient Evaluation (AMUSE), which integrates Muon's rapid bulk progress with the stabilizing effect of Schedule-Free averaging. AMUSE uses a time-varying interpolation coefficient that initially evaluates gradients near the fast Muon sequence for rapid adaptation, then gradually shifts toward the stable averaged sequence to suppress valley-wall oscillations. As a result, AMUSE requires no learning rate schedules and supports anytime training. Across vision tasks and large language model pretraining, AMUSE consistently improves the performance-iteration Pareto frontier over (Schedule-Free) AdamW and Muon.
Authors: Benjamin Poole, Andrew Quinn, Li Yang, Minwoo Lee
Abstract: Data rehearsal has emerged as a leading approach for mitigating catastrophic forgetting in Continual Reinforcement Learning (CRL). However, existing work remains confined to policy gradient frameworks, regularizing only actors due to the performance degradation incurred by critic regularization. This actor-centric approach overlooks the potential of data rehearsal for value function approximation. Moreover, existing evaluations in CRL rarely consider multi-cyclic environments where task sequences repeat, a critical real-world scenario that exacerbates forgetting and plasticity. We investigate data rehearsal for Deep Q-Networks using Q-value regularization in multi-cyclic settings and propose Qreg+NWLU which introduces two simple modifications: (1) continuous data rehearsal that dynamically collects and updates stored Q-values throughout training, and (2) "No-Wait" regularization that applies immediately rather than after the first task. Together, these modifications yield improvements in learning efficiency, forgetting mitigation, and knowledge transfer over Qreg and conventional CRL methods within value function approximation settings.
Authors: Guikang Du, Haoran Li, Xinyu Liu, Zhibo Zhang, Xiaoli Gong, Jin Zhang
Abstract: Cross-subject generalization in biomedical time-series refers to training on data from some subjects and testing on unseen subjects.The key challenge is to suppress subject specific variability in BTS representations.Most existing methods implicitly suppress the variability through model building or subject adversarial learning, but rarely model it explicitly.We introduce spectral drift as a new perspective to characterize subject specific variability.Specifically, BTS signals under the same label often share consistent oscillatory structure, yet exhibit subject-dependent magnitude or phase shifts in specific frequency components, which we interpret as subject-specific variability. Building on this insight, we propose BioFormer.At its core is a Frequency-Band Alignment Module(FBAM) that generates band-wise modulation factors from the spectral distribution and adaptively adjusts amplitude and phase to align spectral structure, thereby mitigating variability.We further pair FBAM with Sample Conditional Layer Normalization, which infers normalization parameters from intrinsic signal statistics rather than subject identity, stabilizing cross-subject representations.Extensive experiments on six datasets demonstrate that BioFormer outperforms 12 baselines, yielding absolute F1-score improvements of 6%.
Authors: Maya Bechler-Speicher, Gilad Yehudai, Gil Harari, Clayton Sanford, Amir Globerson, Joan Bruna
Abstract: Transformers have become a central architecture for graph learning, but their application to graphs requires first choosing a tokenization: a graph-to-token map that determines which structural information is exposed at the input. In this work, we show that this choice is a fundamental component of transformer expressivity. We examine three tokenizations that serve as building blocks for many existing graph tokenizations: spectral, random-walk, and adjacency tokenizations. We prove that different tokenizations induce distinct depth regimes: the same graph computation may be realizable by a shallow transformer under one tokenization, while requiring substantially larger depth under another. For example, we prove that random-walk tokenization is lossy for any walk length, making it impossible in general to recover the graph from it, and that while spectral tokenization is lossless, it is ill-conditioned for local tasks. We further show that although both random-walk and spectral tokenizations are derived from adjacency information, it is impossible for a limited-depth transformer to convert between tokenization families in general. In particular, we establish lower bounds and impossibility results showing that unfavorable tokenizations may preclude the efficient recovery of more suitable structural representations. Finally, we complement our theory with controlled experiments on synthetic and real-world tasks, validating the predicted separations and showing that different tasks favor different structural views, and combining complementary tokenizations allows the transformer to leverage distinct signals from each representation.
Authors: Julian Gutheil (Graz University of Technology), Simon Hitzginger (Graz University of Technology), Robert Legenstein (Graz University of Technology)
Abstract: Winner-take-all (WTA) networks constitute a central circuit motif in cortical networks of the brain. In addition, WTA-like activations are abundant in modern deep learning models in the form of the softmax activation for example in attention layers of transformers. While their role in the extraction of latent factors has been studied for relatively simple generative models, their role in the context of highly non-linearly entangled latent factors has remained elusive. In this article, we show that a WTA bottleneck within a deep neural network can enforce under certain well-defined conditions the extraction of categorical latent factors of the data in a multi-task learning setup. In particular, we prove that the representation that emerges in the WTA bottleneck is highly symbolic, where a single neuron or a population of neurons encodes the presence of a single abstract feature such as a specific object, color, or position. We furthermore show empirically on two datasets, that this also holds for architectures and setups that do not fully comply with the assumptions of our theorem and demonstrate the advantages of the acquired symbolic representation for generalization. Our proposed model provides insights into the generalization capabilities of deep neural networks with WTA-like components and may serve as an interface between symbolic and subsymbolic AI systems.
Authors: Hangyue Zhao, Paul Caillon, Erwan Fagnou, Alexandre Allauzen
Abstract: Entity tracking requires maintaining and updating latent states for entities and attributes over long sequences. Recent task-specific attention operators can compress deep Transformer stacks into a few layers by performing multi-hop state propagation within a single layer, but their dense evaluation remains expensive. We show that in this setting, learned attention is strongly structured: most mass concentrates in local block-diagonal neighborhoods with a light cross-block residue. Exploiting this, we derive a blockwise evaluation of a resolvent-style operator that keeps within-block interactions exact and routes cross-block interactions through a reduced system. The resulting evaluation is subquadratic in sequence length $O(n^{4/3}d)$ (and $O(n^{7/3})$ when $d\approx n$). On controlled tracking benchmarks, our method matches the dense operator's accuracy while reducing wall-clock time by $12-29\%$ under a standardized measurement protocol, and is up to $2.4 \times$ faster than a compact dense Transformer at comparable exact-match accuracy. We further provide ablations over block size and model capacity, and identify a limitation: performance collapses when the number of simultaneously evolving properties exceeds the number of attention heads.
Authors: Clement Wang, Antoine Vialle, Robin Vaysse, Thomas Bonald
Abstract: Mini-batch training of Graph Neural Networks (GNNs) is fundamentally different from training on i.i.d. data: sampling a subgraph alters the topology and introduces boundary effects, leading prior work to develop structure-aware samplers that preserve local connectivity and reduce embedding variance. Surprisingly, we demonstrate that the simplest possible scheme, Random Node Sampling (RNS), training on the induced subgraph of uniformly sampled nodes, matches or outperforms full-graph training on 8 of 10 datasets at a fraction of the wall-clock time and memory. To explain this, we apply backward error analysis to graph mini-batch Stochastic Gradient Descent (SGD) and show that it implicitly minimizes the sampled loss plus a regularizer proportional to the mini-batch gradient variance, a quantity directly shaped by the sampler. Although RNS discards local structure, it produces mini-batches whose expected loss is closer to the full-graph loss, and whose per-batch gradients have lower variance, yielding a better implicit objective. Our analysis reframes the choice of graph sampler as a form of implicit regularization, and identifies RNS as a strong, theoretically grounded method for scalable GNN training.
Authors: Donald Flynn, Hadas Yaron Goldhirsh, Jonathan P. Keating, Inbar Seroussi
Abstract: Backdoor poisoning attacks behave counter-intuitively in high dimensions: stronger training triggers can help the defender. We study regularised generalised linear models on Gaussian-mixture data in the proportional regime ($p/n \to \kappa$), varying the training trigger strength $\alpha$ against a fixed test trigger. Three phenomena emerge: (i) clean test accuracy increases with $\alpha$; (ii) attack success peaks at a finite $\alpha$ and then declines; and (iii) the most damaging trigger direction is the minimum eigenvector of the data covariance. We prove all three results in closed form for the squared loss, and extend (i) and (ii) to general convex GLM losses via a Gaussian-proxy fixed-point system. We identify a finite-sample noise floor proportional to $\kappa$ as the mechanism behind (i), invisible to classical $n \gg p$ analysis. Experiments on CIFAR-10 and Gaussian surrogates match the theory closely; ResNet-18 experiments show the same phenomena beyond the convex setting.
Authors: Ishita Darade, Sushrut Thorat
Abstract: Structured prompts require integrating components according to task-relevant relations. How a network implements this integration is often hard to judge in language or vision, where those relations are rarely specified precisely enough to define a candidate internal algorithm. Arithmetic offers a cleaner setting. We study a Transformer trained on base-digit extraction: given $N$, $B$, and $D$, it must report the coefficient of $B^D$ in the base-$B$ expansion of $N$. The closed-form solution, $\lfloor N/B^D \rfloor \bmod B$, provides explicit candidate algorithmic intermediates. Across three seeds, the model reaches 99.83% exact-answer accuracy on held-out number-base intersections, establishing reliable task competence. Linear probes decode the intermediates, making staged arithmetic computation plausible. Causal tests then separate representation from use: within the localized route from the stream with $D$ as input to the output positions, behavior depends on early $D$-selective communication, independent of $N$ and $B$. Relatedly, a sparse circuit search finds mostly separate $N$, $B$, and $D$ routes that combine late rather than the staged route suggested by the probes. Thus, the model represents the intermediates that make the closed-form solution plausible, but the identified localized causal route does not transmit them to the output stream. This case shows that probe-based conclusions can diverge sharply from causal observations, even when explicit algorithmic hypotheses are available.
Authors: Lorenzo Mazza, Massimiliano Datres, Ariel Rodriguez, Sebastian Bodenstedt, Gitta Kutyniok, Stefanie Speidel
Abstract: Behavioral cloning becomes difficult when the same observation admits several valid actions. We study this problem for action-chunking policies and show that different multimodal parameterizations fail in different ways. For latent-variable policies, posterior-prior regularization makes deployment-time sampling more reliable, but excessive regularization removes the action-conditioned information needed to distinguish demonstrated modes. Reducing this regularization can preserve mode information, but then success depends on whether the prior covers the relevant latent regions. For action-space generative policies, multimodality is constrained by the smoothness of the base-to-action transport: a map with small Lipschitz constant cannot assign substantial probability to many well-separated modes. Covering many modes therefore requires either sharp transitions in base space or off-support bridge regions in action space. Experiments on synthetic multimodal tasks and robotic simulation benchmarks support these mechanisms.
Authors: Philipp Bomatter, Jack Geary, Henry Gouk
Abstract: Deep generative models offer a natural foundation for out-of-distribution (OOD) detection, yet prior work has shown that their assigned likelihoods are notoriously unreliable indicators for in- vs out-of-distribution data. In this paper, we address this problem by leveraging the diffeomorphic and mass-preserving properties of continuous normalising flows. Our analysis shows that OOD samples are mapped to noise samples that are highly atypical under the noise prior in ways not captured by the likelihood. Based on this observation, we propose a new method -- Signal in the Noise (SITN) -- for OOD detection on the single-sample level. SITN requires no access to OOD data, incurs minimal computational overhead, and provides strict control of false positive rates. Comprehensive evaluations through standard benchmarks and synthetic perturbations highlight the method's effectiveness and the absence of the complexity bias inherent to likelihood-based methods.
Authors: Lucas Sheneman
Abstract: Scientific machine learning often requires combining known physics with unknown parameters or correction terms learned from data. Existing approaches either ignore known structure, encode it as a soft penalty, or require hand-written PyTorch code for each equation. We present The Neural Compiler, a system that translates programs written in a first-order Scheme-like expression language into frozen, differentiable PyTorch modules. These modules match the source program to floating-point precision and provide gradients through autograd. In hybrid models, the compiled module encodes known physics exactly while learned components model the unknown remainder. We evaluate the compiler across six experiment domains: Feynman physics equations, Lotka-Volterra dynamics, a damped pendulum, a one-dimensional heat equation, three-dimensional vector mechanics, and compositional generalization. Compiled modules match hand-coded PyTorch implementations numerically for single equations, showing no accuracy loss from compilation. With only 1 to 4 trainable parameters, compiled models recover physical constants to less than 1 percent error in most cases, while standard PINN baselines with more than 8500 parameters show 7 to 93 percent error. Compiled modules also compose with zero error, while neural approximations can accumulate large errors in deep composition chains. The main value of the compiler is not improved accuracy over hand-coded equations, but systematic composability: it generates correct, differentiable modules from symbolic specifications without rewriting each equation by hand. The system supports 51 primitive operations, including vector and matrix algebra, enabling PDE discretizations and hybrid scientific models. This string-in, module-out interface also provides a natural target for large language models that translate scientific descriptions into executable differentiable modules.
Authors: Pablo Moreno-Mu\~noz, Adrian M\"uller, Gergely Neu
Abstract: We propose a new framework for generative modeling based on a discrete-time stochastic control formulation of measure transport. Adapting classic results from control theory, we formulate our problem as a linear program whose dual variables correspond to the \emph{optimal value function} of the control problem, which directly encodes the optimal control policy. Exploiting this LP formulation, we develop an efficient simulation-free primal-dual algorithm for computing approximately optimal value functions and the associated \emph{value-driven transport} (VDT) policies which approximate the true optimal policy. We show that well-trained VDT policies enjoy numerous favorable properties in comparison with other state-of-the-art methods based on flows, diffusions, or Schr\"odinger bridges: they lead to straight transport paths which can be simulated quickly and robustly, and can be enhanced in all the same ways as diffusion and flow-based models (e.g., conditional generation, classifier-free guidance, unpaired data-to-data translation are all easy to incorporate). We evaluate our methodology in a range of experiments, with results that indicate strong performance and good potential for scalability.
Authors: Ioannis J. Vourganas, Anna Lito Michala
Abstract: This paper investigates a unexplored yet impactful vulnerability in AI explainability used in intrusion detection (IDS): multicollinearity-induced instability. Despite extensive reliance on post-hoc explainability tools such as SHAP or LIME, the impact of correlated features on explanation robustness is not evaluated. We introduce a formal theorem stating that multicollinearity inflates attribution variance. This demonstrates that explanations and feature importances are non-identifiable under multicollinearity. A suite of comprehensive experiments validates the theorem on a representative benchmark dataset, UNSW-NB15. Four widely used families of models are evaluated, including linear, tree-based, kernel, and neural, across full and pruned feature sets based on VIF and correlation thresholding. We propose the novel metric of Explanability Fragility Score and two novel methods to mitigate it with variable integration complexity. CAA-Filtering focuses on stabilising explanations by grouping attributions of trained models. SHARP is a novel training-time regularisation framework that penalises attribution instability, enabling controllable and monotonic improvement of explainability stability. The findings support stable predictive performance, using Kendall's {\tau} to quantify instability across bootstrapped explanations. This work has direct implications for the trustworthiness and reproducibility of XAI in security-critical contexts, and motivates incorporating multicollinearity mitigations into the IDS pipelines, providing a set of guidelines for practitioners.
Authors: Edmond Cunningham
Abstract: There is a gap between the theoretical foundations of disentanglement and the practice of modern representation learning. Existing theoretical frameworks, particularly Independent Component Analysis (ICA) and its nonlinear variants, assume a generative model with statistically independent latent variables underlying the data so that disentanglement amounts to identifying the latents that could have generated the data. This generative framework is interpretable and theoretically justified, but its strong assumptions make it difficult to apply to modern representation learning. Modern pretrained encoders often learn features that exhibit disentangled properties without making generative assumptions, yet there is no general theory for interpreting these features as independent factors of variation. We take a step toward such a theory by introducing Riemannian ICA (RICA), which replaces ICA's global generative model with local geometric structure. RICA is founded on the observation that in ICA, the factors of variation underlying a data point can be understood through radial curves emanating from the point that map to axis-aligned lines in the latent space. We formalize this perspective using Riemannian geometry and introduce our theory in a way that is consistent with the existing generative approach. Our main contribution is the disentanglement tensor, which encodes a second-order notion of disentanglement that we call pointwise disentanglement. This tensor depends on the Hessian of the data log likelihood as well as the Ricci curvature induced by the model. In a controlled source recovery setting with known ground-truth sources, RICA recovers sources across several manifolds, while the success of ICA baselines depends on the coordinates used to represent the observations. Our work provides a theoretical basis for studying local disentanglement without assuming a global generative model.
Authors: Giovanni Valer, Luigi Gresele, Marco Bronzini, Emanuele Marconato
Abstract: Linear properties are ubiquitous in the representations of language models; however, testing them experimentally remains a challenging task. This work focuses on relational linearity: the hypothesis that, for a fixed relation (e.g., "plays"), the unembedding of an object (e.g., "trumpet") can be predicted from the embedding of its subject (e.g.,"Miles Davis") by a linear map. We present an experimental method to test the formulation of relational linearity by Marconato et al. (2025). Specifically, we introduce a probing method, based on Kullback-Leibler divergence, to evaluate this property and examine its variation across layers and paraphrased relational queries. It is also more efficient than previous work; for example, it avoids the crude Jacobian approximations used in Linear Relational Embeddings by Hernandez et al. (2024). Our findings across four datasets show that relational linearity varies across models, exhibits layer-wise patterns consistent with prior observations about linguistic information in model representations, and is differently affected by changes in how the relation is phrased.
Authors: Nikolay Blagoev, O\u{g}uzhan Ersoy, Wendelin Boehmer, Lydia Yiyu Chen
Abstract: Reinforcement learning methods such as GRPO have seen great popularity in LLM post-training. In GRPO, models produce completions to a set of prompts, which are rewarded, and the policy is updated towards the relatively high reward completions. Due to the auto-regressive nature of models, the generation phase of such style of training can be extremely time consuming. As a solution, prior work has sought to distribute the inference step across many nodes, working parallel. These works assume primarily homogeneous models in the training in order to keep samples as close to on-policy as possible. This assumption may be impractical in decentralized systems, where parties with various computes and preferences may wish to collaborate on the same task. Thus, decentralized training requires an approach that can handle heterogeneous models - different models collaborating on the same tasks. However, this leads to highly off-policy samples presented during training, which prior work has identified that off-policy samples can hurt GRPO convergence. To enable heterogeneity, we propose Filtered Truncated Importance Sampling (F-TIS) - a GRPO-style training paradigm that can use off-policy samples to improve local model's learning. Our framework allows various models to collaborate in the same RL training run while being communication efficient. We extensively evaluate F-TIS in various heterogeneous setups and we show that it exhibits identical final model convergence to purely on-sample training. Furthermore, we observe in some setups better generalization on out-of-distribution tasks than on-policy training, increasing model's performance by up to 12\%.
Authors: Haoan Feng, Xin Xu, Leila De Floriani
Abstract: Digital elevation models (DEMs) underpin terrain analysis in Geographic Information Systems (GIS), but in their common raster form, they rely on interpolation for off-grid sampling and finite-difference operators for derivative-based analysis. Implicit neural representations (INRs) offer a continuous alternative, but prior terrain INRs lack explicit frequency control, neglect the gradient structure of terrain, and remain too large and costly to train for practical deployment. We present ImplicitTerrainV2, which advances terrain INRs toward a compact, efficient neural terrain data format by combining a spectral control mechanism with wavelet-guided spatial adaptivity, derivative-aware supervision, and post-training model compression. At its core, a wavelet complexity field (WCF) derives spatially-adaptive frequency masks from analytically computed wavelet coefficients, localizing high-frequency capacity to complex terrain regions. The same field guides complexity-aware adaptive sampling that concentrates training in high-complexity regions, while gradient matching applies extra supervision to enforce the smooth manifold structure of terrain DEMs for improved derivative fidelity. Post-training mixed-precision quantization and entropy coding reduce storage to 1.23 bpp with a 0.28 dB PSNR drop. On 50 Swiss terrain tiles, ImplicitTerrainV2 reaches 66.25 dB end-to-end PSNR, improving over the prior work by 5.70 dB while using 3.2x fewer parameters and training in 55 s per tile on a single GPU. Our compressed neural format is competitive with several established DEM codecs in rate-distortion performance, while additionally supporting off-grid point queries, closed-form derivative evaluation, and resolution-independent reconstruction, which may benefit many downstream GIS applications.
Authors: Shuang Chen, Juncai He, Xue-Cheng Tai
Abstract: We introduce an abstract neural flow framework for neural networks and neural operators. The framework contains two continuous-depth models, namely neural flows with composition and separation structures, and covers both finite-dimensional function approximation and infinite-dimensional operator approximation. We prove well-posedness and universal approximation properties for the corresponding neural flows, including, to the best of our knowledge, the first universal approximation result for flow-based models between infinite-dimensional spaces. We also obtain universal approximation results for convolutional neural flow models. Through suitable time discretizations, the composition structure recovers ResNet-type architectures, while the separation structure, via a splitting-based discretization, yields plain architectures. This gives a unified flow-based route to both residual and plain architectures for neural networks and neural operators with fully connected or convolutional linear layers.
Authors: Haowei Wang, Jingyi Wang, Qiyu Wei
Abstract: Bayesian optimization (BO) is a widely used iterative black-box optimization method that utilizes Gaussian process (GP) surrogate models. In practice, BO is typically terminated after a fixed evaluation budget is exhausted, which can incur unnecessary cost and provides no optimality guarantee on solution quality. Recent research in developing a practical stopping criterion has made empirical progress, yet a theoretically sound stopping criterion remains a work in progress. In this work, we present provably tighter instantaneous regret bounds for GP upper confidence bound (GP-UCB) at any given iteration. Then, we propose stopping criteria for GP-UCB based on this tighter bound that ensures an $\epsilon$-optimal solution with high probability $1-\delta$ upon termination. Numerical experiments are performed to validate and demonstrate the effectiveness and efficiency of our stopping criteria.
Authors: Ao Li, Shangpeng Yang, Fahao Chen, Tianheng Xu, Peng Li, Zhou Su
Abstract: Large Language Model (LLM)-based agents demonstrate strong reasoning and execution capabilities on complex tasks when guided by structured instructions, commonly referred to as workflows. However, existing workflow-assisted agent serving systems typically rely on predefined templates and shallow matching mechanisms, which limit their ability to capture deep semantic relationships and generalize to previously unseen tasks. To address these limitations, we propose a new workflow management paradigm that represents workflows using a unified graph, termed wGraph, where each node corresponds to an atomic operation. wGraph serves as a shared substrate from which task-specific workflows are dynamically instantiated. Building on wGraph primitives, we introduce GraphFlow, a system that efficiently integrates workflows into agent serving through two key designs. First, adaptive workflow generation dynamically constructs workflows from wGraph based on task semantics and constraint requirements. Second, workflow state management exploits wGraph structure to efficiently manage Key-Value (KV) caches, reducing redundant computation during agent serving. Extensive experiments across five benchmark datasets show that GraphFlow consistently outperforms state-of-the-art methods, yielding an average performance improvement of approximately 4.95 percentage points, while achieving an approximately 4$\times$ reduction in memory footprint.
Authors: Jiayi Fu, Yuxia Wang
Abstract: This tutorial develops diffusion models from the viewpoint of differential equations. We begin with the conditional Gaussian forward process and show that this path admits both an ordinary differential equation (ODE) representation and a stochastic differential equation (SDE) representation. Averaging the conditional process over the data distribution then yields marginalized forward ODE and SDE formulations that transport the data distribution $p_0=p_{\mathrm{data}}$ to a Gaussian prior $p_1=\mathcal{N}(0,I)$. We next derive the corresponding reverse-time dynamics, namely the reverse SDE and the reverse probability-flow ODE, both of which are governed by the marginal score $\grad\log p_t(x)$. This leads to a training objective for score estimation and shows that the standard noise-prediction objective is equivalent to score matching up to an additive constant independent of the model parameters. We then discuss sampling methods for the learned reverse dynamics, including DPM-Solver, as well as guided sampling through classifier guidance and classifier-free guidance. Finally, we compare DDPM and DDIM with the reverse SDE/ODE framework and show that they share the same training objective, while DDPM sampling corresponds to discrete reverse-SDE sampling and DDIM sampling corresponds to reverse-ODE sampling.
Authors: Pedro C. Vieira, Pedro Ribeiro, Viacheslav Borovitskiy
Abstract: While deep ensembles are widely considered to be the default method for uncertainty quantification in deep learning, their effectiveness for graph-structured data is often simply assumed based on successes in domains like computer vision. We investigate standard deep ensembles specifically for message-passing graph neural networks. Benchmarking across seven datasets representing varied tasks and complexities, we reveal that ensembles provide surprisingly little improvement over a single model. Instead, the observed marginal gains stem primarily from stabilizing optimization noise in point predictions rather than yielding meaningfully better uncertainty estimates. Through an aleatoric-epistemic decomposition, we identify epistemic collapse: independently trained networks consistently converge to overly similar predictions. Because disagreement is the fundamental mechanism through which ensembles capture epistemic uncertainty, this lack of diversity neutralizes their key advantage. Analyzing this phenomenon further, we suggest this collapse is driven by functional rather than weight-space convexity, where distinct parameter solutions induce almost identical behavior. Our results suggest that deep ensemble success does not seamlessly transfer to graph machine learning.
Authors: Sayan Mitra, Ege Yuceel, Noah Giles, Abhishek Pai
Abstract: Robotic tasks are typically specified by a tuple of factors, such as the object to be grasped, the obstacles to be avoided, the color of the target, and so on. Collecting expert demonstrations for every combination of factor values grows combinatorially. We present factored diffusion policies: a single shared diffusion network trained with per-factor null-token dropout, whose score decomposes additively across factors at inference. Under approximate conditional independence between factors given the action-observation pair, this composition approximates the true joint score with a bounded uniform error, reducing the training-task budget from a product of factor cardinalities to a sum. A trajectory-tube certificate chains this score-level bound through the reverse-time sampling ODE and a contracting tracking controller into a closed-loop state-trajectory tube whose radius factors into an ODE-sensitivity constant and a per-factor score-error budget. Unlike compositional-diffusion methods for control that combine separately trained networks, we use one shared network. Drone racing experiments confirm both the generalization bound and the certificate. On state-based multi-gate racing, the factored policy passes 90% of held-out gates -- matching an oracle -- while a K-network composition baseline collapses to 3%; on vision-based single-gate traversal, it transfers zero-shot to an unseen venue with +11.7pp success-rate gain and 2.4X crash-rate reduction.
Authors: Jiaxu Wang, Junhao He, Jingkai Sun, Yi Gu, Yunyang Mo, Jiahang Cao, Qiang Zhang, Renjing Xu
Abstract: Learning real-world dynamics from visual observations is crucial for various domains. A common strategy is to calibrate simulators by estimating physical parameters, yet accuracy is ultimately bounded by the underlying physical models, which often assume materials are homogeneous and isotropic. Even if reasonable, real-world objects typically exhibit mild anisotropy and heterogeneity. After the near-isotropic backbone is well calibrated, these residual effects become the key bottleneck for further closing the real-to-sim gap. Although neural networks can fit dynamics end-to-end, such black-box modeling discards strong physical priors, leading to poor data efficiency and overfitting. Therefore, we propose MoSA, a motion-constrained stress adaptation framework that targets these residual effects to further improve real-to-sim dynamics learning. MoSA uses an isotropic model as a physics prior and learns residual stress operators to capture mild anisotropy and heterogeneity. It progressively adapts stresses via microplane-constrained redistribution in a physics-informed cascaded network. We further impose motion constraints by supervising temporal and spatial derivatives of the deformation field. Experimentally, our learned dynamics achieves superior accuracy, generalization, and robustness, while learning physically meaningful residual anisotropy. Finally, we validate MoSA in a robot manipulation setting, showing that better real-to-sim dynamics modeling translates into more reliable sim-to-real transfer. Project Page is available at https://mercerai.github.io/MoSA/.
Authors: Niklas Raehse, Luregn J. Schlapbach, Daphn\'e Chopard
Abstract: Antimicrobial stewardship (AMS) is critical in pediatric intensive care units (PICUs), where diagnostic uncertainty often drives broad-spectrum antibiotic use, increasing antimicrobial resistance and potential long-term harms. Machine learning offers a promising approach for identifying patient-level opportunities for stewardship interventions from electronic health record data, yet prior work has focused largely on adult populations and static tabular representations. We present a systematic benchmarking study of AMS intervention prediction in the PICU across a public dataset and a private institutional cohort. We define four clinically relevant proxy targets for reducing antibiotic exposure: intravenous-to-oral switching, de-escalation, discontinuation, and short-course therapy. Under a unified evaluation framework, we compare tabular, sequence-based, and graph-based temporal models at multiple temporal resolutions. We find that predictive performance is driven primarily by target prevalence and dataset characteristics rather than model complexity. Sequence models improve the precision-recall trade-off over tabular approaches at coarse (24-hour) resolution, while finer temporal modeling provides limited additional benefit. However, these gains come at the cost of poorer calibration, with simpler tabular models yielding more reliable probability estimates. Multi-task learning produces only marginal improvements, suggesting limited shared structure across stewardship targets. Our findings highlight the importance of target design, temporal representation, and calibration in clinical machine learning, and provide practical guidance for developing reliable decision support systems for pediatric AMS.
Authors: Halil Alperen Gozeten, Xuechen Zhang, Emrullah Ildiz, Ege Onur Taga, Tara Javidi, Samet Oymak
Abstract: Recent LLM-guided evolutionary search methods have shown that iterative program mutation can discover strong algorithms, but they typically optimize each task independently, even when related tasks share reusable structure. We introduce Evolutionary Multi-Task Optimization (EMO) for LLM-guided program discovery, and propose EMO-STA (Shared-Then-Adapt), a two-stage framework that first evolves a shared archive of executable programs across a task family and then adapts selected shared candidates to each target task. Within EMO-STA, we explore multiple adaptation strategies, including warm-starting from the shared archive, adapting the best average shared program, and adapting the shared program that performs best on each target task. Across eight task families spanning continuous optimization, geometric construction, modeling, and algorithmic optimization, EMO-STA improves over matched-compute single-task evolution in most settings, with STA Best-Local providing the strongest in-distribution adaptation and STA Best-Shared yielding robust transfer to unseen tasks. Compute-allocation experiments show that allocating a substantial fraction of the family-level budget to shared evolution is consistently beneficial, with roughly balanced shared and adaptation budgets often being optimal. Beyond compute efficiency, we show that shared evolution can mitigate overfitting in low-evidence settings (e.g. few training data), including ARC tasks and time-series feature engineering, by favoring programs that generalize across all tasks rather than exploiting task-specific brittle artifacts.
Authors: Shourov Joarder, Diganta Sikdar, Ahsan Habib Akash, Binod Bhattarai, Prashnna Gyawali
Abstract: Reinforcement learning with verifiable rewards (RLVR) has substantially improved the reasoning ability of LLMs, but often depends on external supervision from human annotations or gold-standard solutions. Reinforcement learning from internal feedback (RLIF) has recently emerged as a scalable unsupervised alternative, using signals extracted from the model itself. However, existing RLIF methods typically rely on a single internal reward, which can lead to reward hacking, entropy collapse, and degraded reasoning structure. We propose a multi-reward RLIF framework that decomposes the training signal into two complementary components: an answer-level reward based on cluster voting and a completion-level reward based on token-wise self-certainty. To combine these signals robustly, we apply GDPO-based normalization to reduce reward-scale imbalance. We further introduce KL-Cov regularization, which targets low-entropy token distributions responsible for disproportionate entropy reduction, preserving exploration and preventing late-stage collapse. Across mathematical reasoning and code-generation benchmarks, our method improves stability and robustness over prior unsupervised RL approaches, while achieving performance close to supervised RLVR methods. These results show that complementary internal rewards, combined with targeted regularization, can support stable long-horizon reasoning without relying on external ground-truth supervision. Code will be released soon.
Authors: David \v{S}i\v{s}ka, Yufei Zhang
Abstract: Wasserstein Policy Optimization (WPO) is a recently proposed reinforcement learning algorithm that leverages Wasserstein gradient flows to optimize stochastic policies in continuous action spaces. Despite its empirical success, the theoretical convergence properties of WPO in environments with continuous state and action spaces have yet to be fully established. In this note, we argue that WPO within the framework of entropy-regularised Markov Decision Processes converges linearly. This is done by leveraging recent advances in mean-field analysis for convergence of gradient flows using log-Sobole inequalities. Assuming existence of sufficiently regular solution to the gradient flow equation we demonstrate monotonic energy dissipation along the flow and establish a local log-Sobolev inequality. Ultimately, these properties allow us to argue that the value function should converge linearly to the global optimum.
Authors: Erjian Zhang, Yatong Hao, Liejun Wang, Zhiqing Guo
Abstract: While multi-task learning based automatic radiology report generation (RRG) is widely adopted to ensure clinical consistency, most focus on architectural designs yet remain limited to coarse linear scalarization strategies. These strategies cannot effectively balance the hard constraints of discriminative clinical supervision with the smoothness requirements of report generation. To address these problems, we analyze the failure mechanism of linear scalarization from the perspective of gradient dynamics, utilizing the stochastic differential equation (SDE) framework to characterize it as a "Double Dilemma" of drift term deviation and diffusion term decay. Based on this, we propose a backbone-agnostic optimizer named Conflict-Averse Magnitude-Enhanced Gradient Descent (CAME-Grad). Through conflict-averse direction rectification and magnitude-enhanced energy injection, the algorithm not only ensures geometric validity, but also avoids local optimal solutions. Then, the adaptive gradient fusion mechanism is used to establish a dynamic balance between the theoretical optimal direction and the task-specific inductive bias. Experiments show that as a universal plug-and-play optimizer, CAME-Grad brings substantial and consistent improvements across eight diverse RRG methods, elevating overall clinical efficacy performance by an average of 2.3\% on MIMIC-CXR and 1.9\% on IU X-Ray. Our code is available at https://github.com/vpsg-research/CAME-Grad.
Authors: Igor Ignashin, Anna Radovskaya, Andrew Semenov, Egor Lopatin, Stanislav Potapov, Aleksandr Kovalenko, Andrey Veprikov, Aleksandr Shestakov, Andrey Leonidov, Aleksandr Beznosikov
Abstract: Stochastic Gradient Descent (SGD) is commonly modeled as a Langevin process, assuming that minibatch noise acts as Brownian motion. However, this approximation relies on a continuous-time limit and a sqrt(eta) noise scaling that does not match the discrete SGD update at finite learning rate. In this work, we propose an alternative formulation of SGD as deterministic dynamics in a fluctuating loss landscape induced by minibatch sampling. Starting directly from the discrete update, we derive a master equation for the parameter distribution and obtain a discrete Fokker--Planck equation that differs from the standard Langevin form at order eta^2. Using this framework, we analyze SGD dynamics near critical points of the loss. We show that the behavior decomposes along the eigenbasis of the mean Hessian into qualitatively distinct regimes. In particular, nearly-flat directions do not admit a stationary distribution: the variance grows over time, corresponding to effective diffusion along valleys with a coefficient proportional to the learning rate. We provide empirical evidence supporting these predictions on neural network models in computer vision and natural language processing, observing a clear qualitative separation between confined and diffusive modes.
Authors: Jos\'e Alberto Rodr\'iguez, Luis Balderas, Miguel Lastra, Antonio Arauzo-Azofra, Jos\'e M. Ben\'itez
Abstract: Time Series Foundation Models (TSFMs) have become a new component of the state-of-the-art in general time series forecasting. However, adapting them to specialized classification tasks remains constrained by two interconnected challenges: the quadratic cost of standard attention mechanisms and the inability to disentangle the structural components underlying time series variability. This technical report introduces ChronoVAE-HOPE, a next-generation TSFM that reconciles massive generalization with structured latent representation for time series classification. The core of the proposal is a Variational Autoencoder (VAE) framework built upon the HOPE Block, which replaces quadratic attention with a dual-memory system: Titans modules for dynamic short-term retention and a Continuum Memory System (CMS) for the abstraction of long-term historical context. A key architectural novelty is the disentangled latent space, which factorizes representations into independent trend and seasonal components via dedicated encoder heads and separate decoder pathways. ChronoVAE-HOPE undergoes self-supervised pre-training on the Monash archive, combining a Masked Time Series Modeling (MTSM) auxiliary objective with a disentangled VAE reconstruction loss. The pre-trained encoder is subsequently frozen and used to generate fixed-length embeddings for downstream classification on the UCR benchmark datasets. Empirical results demonstrate strong performance across diverse temporal domains, particularly in settings characterized by strict causal structure. ChronoVAE-HOPE establishes a robust and interpretable framework for the adaptation of foundation models to time series classification through structured generative representations.
Authors: Johannes Hirn
Abstract: We show that posterior collapse in $\beta$-VAEs implements automatic spectral pruning. A latent mode collapses if its contribution to reconstruction is below the cutoff set by $\beta$. Equilibrium solutions with different $\beta$ thus reveal a cascade of collapses as latent modes decouple from least to most useful. We derive this as a consequence of the loss via a Landau stability analysis. We define a latent-rescaling-invariant order parameter that ranks active latent modes and whose collapse thresholds identify which effective variables to inspect first. In the linear Gaussian case, the collapse spectrum, utility spectrum, and normalized PCA spectrum coincide, and each collapse follows a mean-field law. We test these predictions on the WorldClim dataset.
Authors: Shuo Yang, Jinda Lu, Chiyu Ma, Kexin Huang, Haoming Meng, Qihui Zhang, Yuyang Liu, Bolin Ding, Guoyin Wang, Li Yuan, Jingren Zhou
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a central paradigm for scaling LLM reasoning, yet its optimization often suffers from training instability and suboptimal convergence. Through a systematic dissection of clipping-based GRPO-style objectives, we identify the rigid clipping decision induced by hard clipping as a key practical bottleneck in the studied RLVR setups. Specifically, our analysis suggests that informative signals can lie in the near-boundary region just beyond the clipping threshold, and are therefore discarded by the standard hard-clipping rule. Notably, once this bottleneck is precisely identified, even simple stochastic perturbations at the boundary can recover meaningful performance gains. Building on this finding, we propose Near-boundary Stochastic Rescue (NSR), a minimal, plug-and-play modification that stochastically retains these slightly out-of-bound tokens to recover lost signals. While NSR, via stochastic sampling, can be interpreted as inducing an implicit gradient decay in expectation, our ablations reveal that its stochastic, boundary-local rescue mechanism is consistently more effective than deterministic gradient decay. Validated by extensive experiments across model sizes from 7B to 30B and both dense and MoE architectures, as a plug-and-play solution, NSR substantially improves training stability and delivers consistent gains over strong baselines such as DAPO and GSPO.
Authors: Clarisse Wibault, Alexander Goldie, Antonio Villares, Maike Osborne, Jakob Foerster
Abstract: Markov Decision Processes (MDPs) often exhibit significant redundancy due to symmetries and shared structure across state-goal pairs in real-world Goal-Conditioned Reinforcement Learning (GCRL). While hierarchical policies have been motivated for horizon reduction via temporal abstraction in offline GCRL, we demonstrate that hierarchy also enables absolute abstraction. By introducing relativised options as well as distinct representations for different levels of the hierarchy, we demonstrate how an agent can reuse experience across similar contexts of the state-space. Based on this framework, we introduce two simple algorithms for learning relativised options and abstracting from the absolute frame of reference. Our experiments show that such inductive biases significantly improve performance in offline GCRL.
Authors: Mahdi Nasermoghadasi
Abstract: We report a small, reproducible audit of which sparse-autoencoder (SAE) features of GPT-2 small fire differently on failed versus successful trials of the Indirect Object Identification (IOI) task. On 300 prompts, GPT-2 small reaches 79.7% accuracy; 146 of the 24,576 features in the layer-8 residual-stream SAE release of Bloom (2024) clear a Holm-corrected significance threshold and 105 reach a large effect size (|Cohen's d| > 0.8). The strongest single correlate of failure -- feature 17,491, d=+2.93, Neuronpedia label 'cryptographic keys' -- is essentially silent except when the prompt's transferred object is 'the keys,' on which GPT-2 small fails 93.3% of the time vs. 7.5% on the other seven objects (Fisher exact p = 8.79 x 10^-33). We put this correlate through three controls that a mechanistic claim should pass. (i) A causal ablation: zeroing feature 17,491 in the residual stream across all token positions of the 45 keys prompts does not restore accuracy (6.7% -> 4.4%); the feature is a correlate, not a sufficient cause at this layer. (ii) A representation baseline: a logistic regression on the raw 768-dimensional residual stream reaches 5-fold ROC AUC = 0.929, matching the top-100 SAE features (0.927); the SAE basis adds interpretability, not predictive power. (iii) A seed-robustness check: across five random seeds the keys-subset failure rate stays in 75.0--93.3% (the behavioural effect is real), but feature 17,491 is the top-|d| feature in only 1 of 5 runs. The methodological contribution is therefore the audit pipeline (cheap, model-agnostic, surfaces named correlates) rather than any single feature found through it. We release the code, the 300-prompt corpus, the 300x24,576 activation matrix, the ablation and baseline scripts, and the figures. The full pipeline runs on a laptop (Apple M3 Max, no discrete GPU).
Authors: Md Sahil Akhtar, Aymane El Gadarri, Vivek F. Farias, Adam D. Jozefiak
Abstract: A central error measure in Gaussian DDPMs is the path-space KL divergence between the exact reverse chain and the learned Gaussian reverse process. This quantity is especially relevant for procedures such as classifier guidance, which perturb the entire reverse trajectory rather than only the terminal sample. Prior analyses show that standard isotropic reverse covariances suffer an unavoidable $\Omega(1/T)$ path-KL error as the number of denoising steps $T$ grows. We show that matching the full posterior covariance breaks this barrier, yielding an order-wise improvement that reduces the path KL to $O(1/T^2)$. To make full covariance matching practical, we introduce the Lanczos Gaussian sampler (LGS), a training-free, matrix-free method for sampling from the optimal reverse covariance using only covariance-vector products, which are available through Jacobian-vector products of the posterior mean. LGS avoids dense covariance storage and auxiliary covariance models. We prove that LGS approximation error decays exponentially in the number of Lanczos steps, where each Lanczos step requires a single Jacobian-vector product. Empirically, using only just three such steps improves sample quality over strong diagonal-covariance baselines, including OCM-DDPM, across standard image benchmarks. This identifies full covariance matching as both theoretically valuable and practically accessible for fast DDPM sampling.
Authors: Adrien Weihs, Hayden Schaeffer
Abstract: We study the approximation and statistical complexity of learning collections of operators in a shared multi-task setting, with a focus on the Multiple Neural Operators (MNO) architecture. For broad classes of Lipschitz multiple operator maps, we derive near-optimal upper bounds for approximation and statistical generalization. On the lower-bound side, we establish a curse of parametric complexity and prove corresponding minimax rates. Together, these results show that shared representations across tasks do not increase the overall cost: multi-task operator learning follows the same scaling laws as single operator learning. We also compare MNO with a multi-task extension of DeepONet based on concatenated task inputs and show that, from a worst-case approximation-complexity perspective, both architectures satisfy essentially the same asymptotic rates.
Authors: Dong Nie
Abstract: Large language model post-training methods such as supervised fine-tuning (SFT), reinforcement learning (RL), and distillation are often analyzed through their loss functions: maximum likelihood, policy gradients, forward KL, reverse KL, or related objective-level variants. We study a complementary factor: the state distribution on which supervision is applied. For an autoregressive policy, a state is a prompt plus generated prefix. SFT trains on fixed dataset states, while RL and on-policy distillation (OPD) train on states induced by the current learner. We formalize post-training as state-distribution shaping and run a controlled smallscale study using Qwen3-0.6B-Base on GSM8K, with TruthfulQA and MMLU as retention evaluations. Our results show three phenomena. First, a mild SFT run improves GSM8K with little forgetting, while a stress SFT run causes substantial retention loss. Second, OPD from a degraded SFT teacher surpasses that teacher on GSM8K, TruthfulQA, and MMLU, despite using the teacher as its only supervision source. Third, a lightweight on-policy RL run improves GSM8K while preserving retention. These results support a state-centric view of post-training: the source and locality of training states can be as important as the form of the supervision signal.
Authors: Youssef Allouah, Mahdi Haghifam, Sanmi Koyejo, Reza Shokri
Abstract: Distillation attacks create a deployment trade-off for model providers: the same outputs that make a model more useful can also make it easier to imitate. We study this trade-off through a minimax game between a utility-constrained teacher and an adaptive student. Our framework yields tractable one-sided response rules: an adaptive evaluation rule in which the student reweights high-value examples, and a teacher-side defense template that suppresses outputs most useful for distillation. From a cheap proxy for example value, we derive Product-of-Experts (PoE), a simple forward-pass-only defense that combines the teacher with a proxy student during generation. Empirically, adaptive evaluation reveals a large passive--adaptive gap: on state-of-the-art defenses, adaptive students recover substantially more capability than passive evaluation suggests on GSM8K and MATH. Under this stronger evaluation, the apparent robustness gap between expensive defenses and PoE narrows considerably, while PoE remains substantially cheaper and preserves higher-quality reasoning traces. Overall, our results suggest that strong distillation remains difficult to stop, and that progress on antidistillation should be judged against adaptive students rather than passive ones. Our code is available at: https://github.com/ysfalh/distillation-game.
Authors: Santo M. A. R. Thies, Hubert Baniecki, R. Teal Witter, Eyke H\"ullermeier, Maximilian Muschalik, Fabian Fumagalli
Abstract: Shapley and Banzhaf interactions capture the complex dynamics inherent in modern machine learning applications. However, current estimators for these higher-order interactions trade off between speed and accuracy. To overcome this limitation, we introduce ProxySHAP. ProxySHAP reconciles the high sample efficiency of tree-based proxy models with a principled path to consistency via residual correction. On a theoretical level, we derive a polynomial-time generalization of interventional TreeSHAP to compute exact interaction indices for tree ensembles, successfully bypassing exponential tree-depth dependencies in prior methods. Furthermore, we formally analyze the residual adjustment strategy, characterizing the specific conditions under which Maximum Sample Reuse (MSR) corrects proxy bias without its variance scaling exponentially with interaction size. Extensive benchmarking demonstrates that ProxySHAP sets a new state-of-the-art standard for approximation quality, including in large-scale applications with thousands of features. By achieving the lowest error in both small- and large-budget regimes, ProxySHAP significantly outperforms the prior best estimators ProxySPEX and KernelSHAP-IQ, while also delivering superior performance on downstream explainability tasks.
Authors: William Smits
Abstract: Decision trees partition the feature space using hard binary thresholds, assigning identical confidence to instances far from a decision boundary and to those directly on it. We introduce ternary decision trees, which augment each split node with an uncertainty zone of half-width delta centered on the optimal threshold. Instances in this zone receive predictions formed by weighted blending of both child subtrees and are flagged as boundary-uncertain, signaling that downstream applications may treat these predictions differently. Crucially, delta is computed locally at each node from statistics already available during standard CART split finding, requiring no external noise specification. We propose and evaluate five delta-estimation methods: quality-plateau (plateau width of the split criterion curve), class-overlap (empirical class-distribution overlap), gain-ratio (split quality relative to split entropy), node-bootstrap (threshold variance under node-level resampling), and margin (SVM-inspired distance to the nearest cross-class training example). Evaluated across 72 OpenML-CC18 datasets with 5-fold cross-validation, all five methods with probabilistic routing significantly outperform standard CART on decided accuracy (Wilcoxon signed-rank, p < 0.001). The margin method achieves the best efficiency (0.104 accuracy gain per unit of boundary-uncertain flagging rate), wins on 42 of 72 datasets, and requires zero additional hyperparameters. Analysis on three Breiman synthetic benchmarks reveals that margin is self-calibrating on clean data while node-bootstrap and quality-plateau best track theoretical irreducible error. Experiments on four medical and financial datasets demonstrate practical value: on mammography, node-bootstrap achieves +0.71% decided accuracy by flagging 10.8% of screening cases as boundary-uncertain.
Authors: Javad Parsa, Enis Simsar, Amir Joudaki, Thomas Hofmann, Andr\'e M. H. Teixeira
Abstract: Parameter-efficient fine-tuning enables fast personalization of text-to-image diffusion models, but composing multiple custom concepts remains challenging due to representation interference. Existing modular methods either rely on expensive post-hoc fusion or freeze adaptation subspaces, which limit expressiveness and concept fidelity. To address this trade-off, we propose Sequential regularized LoRA (SeqLoRA), a constrained continual learning framework that jointly optimizes both LoRA factors via bilevel optimization. Theoretically, we establish strong convergence guarantees for our algorithm and model the residual layer activations as a matrix sub-Gaussian process to derive high-probability bounds on catastrophic forgetting. We further prove that learning the LoRA basis from data minimizes residual interference energy more effectively than frozen-basis methods. Experiments on multi-concept image generation demonstrate that SeqLoRA improves identity preservation and scalability across up to 101 concepts, while avoiding costly fusion and reducing attribute interference in composed generations.
Authors: Berk Hayta, Hannah Laus, Simon Mittermaier, Felix Krahmer
Abstract: Real-world sensor-based learning systems require uncertainty estimation that is both reliable and computationally efficient. Evidential Deep Learning (EDL) provides single-pass uncertainty estimation by modeling the class probabilities via Dirichlet distributions, where the Dirichlet parameters are predicted by a learned neural network mapping. However, this approach can lead to computational challenges, as Dirichlet expected objectives are more complex than standard supervised learning losses, complicating their analysis and implementation. We address this issue by approximating the objective of the first-order empirical risk minimization problem induced by EDL with a plug-in loss evaluated at the Dirichlet mean and show that, under mild assumptions, the approximation error decays with growing evidence for a broad class of loss functions, including mean-squared error and cross-entropy loss. As a special case, our analysis provides justification for the use of softmax in the context of uncertainty estimation, since under a particular evidence-to-Dirichlet mapping, our framework includes the standard softmax classifier. We validate the proposed simplified objectives on the Google Speech Commands dataset and show that they achieve predictive accuracy and selective prediction performance comparable to classical EDL, while being simpler to implement using standard deep learning losses and training pipelines. To the best of our knowledge, this empirical analysis is the first to obtain coverage-accuracy trade-offs for speech recognition tasks through EDL.
Authors: Adis Alihod\v{z}i\'c, Eva Tuba, Milan Tuba
Abstract: Modern smart grids rely on dense measurement infrastructures, communication links, and intelligent field devices. Although this improves supervision and control, it also increases vulnerability to cyber-physical disruptions. Operators must distinguish physical incidents, such as faults or line disturbances, from malicious actions, such as false data injection or unauthorized command execution. This chapter investigates this problem using the well-known MSU/ORNL Power System Attack Dataset. The proposed method combines machine learning with genetic-algorithm-based feature selection. The objective is twofold: to classify attack and natural events accurately, and to determine whether a reduced set of physically informative PMU/IED measurements can support reliable detection. Several baseline models are evaluated, including logistic regression, RBF-SVM, XGBoost, Random Forest, and Extra Trees. The results show that tree-based ensemble models are the most effective for the considered dataset, with Extra Trees providing the strongest full-feature baseline. After feature selection, the GA + Extra Trees model reduces the clean PMU feature space from 112 attributes to an average of 27.4 attributes over five runs, while increasing macro-F1 from 0.9118 to 0.9212 and ROC-AUC from 0.9791 to 0.9837. These results indicate that many synchronized electrical measurements are redundant. A compact subset of phasor-based features can still provide accurate and interpretable anomaly detection in smart grids.
Authors: Christian Janos Lebeda, David Erb, Tudor Cebere, Aur\'elien Bellet
Abstract: Random forests are widely used in fields involving sensitive tabular data, but existing approaches to enforcing differential privacy (DP) typically degrade performance to the point of impracticality. In this paper, we introduce Lumberjack, a differentially private random forest algorithm that achieves substantially higher utility by constructing large random decision trees and then applying aggressive, privacy-preserving pruning to retain only sufficiently populated nodes. A key component of our approach is a novel $(\varepsilon,\delta)$-DP heavy hitter detection algorithm for hierarchical data, whose error is $O_{\varepsilon,\delta}(\sqrt{\log h})$ for trees of height $h$ and may be of independent interest. This favorable scaling enables the use of significantly deeper trees than in prior work, leading to improved expressiveness under privacy constraints. Our empirical evaluation on benchmark datasets shows that Lumberjack consistently outperforms prior DP random forest methods, establishing a new state of the art. In particular, our approach yields substantial improvements in the privacy-utility trade-off for practical privacy budgets. Our findings suggest that carefully designed DP random forests can close much of the utility gap, highlighting a promising and underexplored direction for future research.
Authors: Samson Gourevitch, Yazid Janati, Dario Shariatian, Umut Simsekli, Eric Moulines, Eric P. Xing, Alain Durmus
Abstract: Discrete diffusion models are often trained through clean-data prediction, but the prediction can be used in different ways to define the reverse dynamics. In Masked Diffusion Models (MDM) these choices largely coincide, whereas in Uniform Diffusion Models (UDM) they do not. We show that the standard plug-in bridge parameterization for UDM is not optimized by the denoising posterior, but by a leave-one-out posterior that predicts each clean token without using its own noisy observation. This identifies a mismatch between the plug-in ELBO and the usual cross-entropy denoising objective. We characterize the leave-one-out target and derive exact conversions between the denoiser, the leave-one-out posterior, and the score. These conversions allow us to disentangle parameterization and training objective. Our results also lead to inference improvements without any additional training through an informed predictor-corrector sampler and improved temperature sampling based on the leave-one-out predictor. We further introduce an absorbing-state reformulation of uniform diffusion that preserves the UDM joint law while decomposing it into masked-diffusion-like sampling operations, with simpler denoising posteriors, carry-over unmasking, and a natural remasking mechanism. On language modeling, leave-one-out parameterizations consistently improve UDM generation, while the absorbing construction matches or surpasses masked diffusion. These results suggest that the empirical gap between masked and uniform diffusion is driven less by the choice of marginals themselves than by parameterization and sampling design. The code and models can be found at https://github.com/samsongourevitch/rev_udm.
Authors: Amir Mousavi, Mohammad Sadegh Sirjani, Erfan Nourbakhsh, Mimi Xie, Rocky Slavin, Leslie Neely, John Davis, John Quarles
Abstract: Real-time cognitive load assessment is essential for adaptive human-computer interaction but remains challenging due to limited labeled data and poor cross-subject generalization. Recent ECG foundation models pre-trained on millions of clinical recordings offer rich representations, but cannot be directly applied to wearable devices due to sensor configuration mismatch and task differences. In this paper, we propose CogAdapt, a framework that adapts clinical ECG foundation models to wearable cognitive load assessment. CogAdapt introduces LeadBridge, a learnable adapter that transforms 3-lead wearable signals into anatomically consistent 12-lead representations, and ProFine, a progressive fine-tuning strategy that gradually unfreezes encoder layers while preventing catastrophic forgetting. Evaluations on two public datasets (CLARE and CL-Drive) under leave-one-subject-out cross-validation show that CogAdapt substantially outperforms baselines trained from scratch, achieving macro-F1 scores of 0.626 and 0.768. These results demonstrate the promise of foundation model adaptation for subject-independent cognitive load assessment from wearable sensors.
Authors: Amir Mousavi, Mohammad Sadegh Sirjani, Erfan Nourbakhsh, Mimi Xie, Rocky Slavin, Leslie Neely, John Davis, John Quarles
Abstract: Real-time cognitive load assessment from eye-tracking signals could potentially enable adaptive human-centered-AI such as safety-critical applications such as driver vigilance monitoring or automated flight deck assistance, yet two challenges persist: handling frequent data missingness from blinks and tracking failures, and efficiently modeling long-range temporal dependencies. We propose MambaGaze, a framework that addresses these challenges through 1) XMD encoding, which augments raw features with observation masks and time-deltas to explicitly model data uncertainty, and 2) bidirectional Mamba-2, which captures temporal dependencies with linear computational complexity. Experiments on CLARE and CL-Drive datasets under leave-one-subject-out evaluation show that MambaGaze achieves 76.8% and 73.1% accuracy, respectively, outperforming CNN, Transformer, ResNet, and VGG baselines by 4-12 percentage points. Edge deployment benchmarks on NVIDIA Jetson platforms demonstrate real-time inference at 43-68 FPS with power consumption below 7.5W, confirming feasibility for wearable cognitive load monitoring.
Authors: Stanislav R. Kirpichenko, Andrei V. Konstantinov, Lev V. Utkin
Abstract: Survival analysis aims to estimate a time-to-event distribution from data with censored observations. Many existing methods either impose structural assumptions on the hazard function or discretize the time axis, which may limit flexibility and introduce approximation errors. We propose the Survival Diffusion Probabilistic Model (SDPM), a generative approach to continuous-time survival analysis. SDPM models the conditional distribution of the survival outcome, represented by the pair of observed time and censoring indicator, $\mathbb{P}(T,\delta \mid \mathbf{x})$, using a denoising diffusion model. Under the assumption of conditionally independent censoring, conditional samples generated by the model can be transformed into survival function estimates using the Kaplan-Meier estimator. This formulation avoids parametric assumptions on the event-time distribution and does not require a discretization of the output time space. The model operates in a transformed target space, using standardized log-times and a continuous Gaussian-mixture representation of the censoring indicator. We evaluate SDPM on ten real survival datasets and compare it with five strong baselines, including tree-based, boosting-based, and neural survival models. Results show that SDPM achieves competitive predictive performance across C-index, integrated time-dependent AUC, and integrated Brier score. A study on synthetic Cox-Weibull data demonstrates that SDPM can recover the shape of an underlying continuous survival distribution more accurately than a strong nonparametric baseline when sufficiently many samples are generated. An ablation study confirms the importance of the proposed target-space transformations, which improve event-rate calibration, reduce invalid generated times, and provide consistent gains in predictive discrimination. Codes implementing the proposed model are publicly available.
Authors: Vishal Rajput
Abstract: Robustness, domain adaptation, photometric and occlusion invariance, compositional generalisation, temporal robustness, alignment safety, and classical anisotropic regularisation are usually treated as separate problems with separate method families. This paper argues that much of their shared structure is one statistical problem: estimate the covariance of label-preserving deployment nuisance, then regularise the encoder Jacobian along a matrix whose range covers that covariance (the matching principle). CORAL, adversarial training, IRM, augmentation, metric learning, Jacobian penalties, and alignment-style constraints are different estimators of that object, not independent robustness tricks. In the linear-Gaussian model we prove closed-form optimality (Theorem A), including cube-root water-filling within the matched range; necessity of range coverage for quadratic Jacobian penalties (Theorem G); the same range dichotomy at deep global minima; and two falsification controls (Lemma C; Corollaries E), with seven conditional consistency lemmas (D1-D7) for estimation under standard identifiability assumptions. We introduce the Trajectory Deviation Index (TDI), a label-free probe of embedding sensitivity when task accuracy or Jacobian Frobenius norm is insufficient. Thirteen pre-registered blocks from classical ML through Qwen2.5-7B test the predicted matched, then isotropic, then wrong-W ordering on geometry and deployment drift; twelve pass, and the sole exception (Office-31) is an eigengap failure named before the run. At 7B scale, matched style-PMH improves selective honesty and preserves Style TDI where standard DPO degrades it. The contribution is naming the deployment nuisance covariance, stating what the regulariser must do, and supplying a closed-form falsifiable theory once that object is identified, not universality on every leaderboard.
Authors: Lily Goli, Justin Kerr, Daniele Reda, Alec Jacobson, Andrea Tagliasacchi, Angjoo Kanazawa
Abstract: Exploration is a prerequisite for learning useful behaviors in sparse-reward, long-horizon tasks, particularly within 3D environments. Curiosity-driven reinforcement learning addresses this via intrinsic rewards derived from the mismatch between the agent's predictive model of the world and reality. However, translating this intrinsic motivation to complex, photorealistic environments remains difficult, as agents can become trapped in local loops and receive fresh rewards for revisiting forgotten states. In this work, we demonstrate that this failure stems from a lack of spatial persistence and episodic context. We show that effective curiosity requires a model of the world that is persistent and continuously updated, paired with an agent that maintains an episodic trajectory history to navigate toward novel regions. We achieve this using an online 3D reconstruction as a persistent model of the world, while the agent policy is parameterized as a sequence model over RGB observations to maintain episodic context. This design enables effective exploration during training while allowing the agent to navigate using solely RGB frames at deployment. Trained purely via curiosity on HM3D, our agent outperforms RL-based active mapping baselines and generalizes zero-shot to Gibson and AI-generated worlds. Our end-to-end policy enables efficient adaptation to downstream tasks, such as apple picking and image-goal navigation, outperforming from-scratch baselines. Please see video results at https://recuriosity.github.io/.
Authors: Ryan Bahlous-Boldi, Isha Puri, Idan Shenfeld, Akarsh Kumar, Mehul Damani, Sebastian Risi, Omar Khattab, Zhang-Wei Hong, Pulkit Agrawal
Abstract: Language models must now generalize out of the box to novel environments and work inside inference-scaling search procedures, such as AlphaEvolve, that select rollouts with a variety of task-specific reward functions. Unfortunately, the standard paradigm of LLM post-training optimizes a pre-specified scalar reward, often leading current LLMs to produce low-entropy response distributions and thus to struggle at displaying the diversity that inference-time search will require. We propose Vector Policy Optimization (VPO), an RL algorithm that explicitly trains policies to anticipate diverse downstream reward functions and to produce diverse solutions. VPO exploits that rewards are often vector-valued in practice, like per-test-case correctness in code generation or, say, multiple different user personas or reward models. VPO is essentially a drop-in replacement for the GRPO advantage estimator, but it trains the LLM to output a set of solutions where individual solutions specialize to different trade-offs in the vector reward space. Across four tasks, VPO matches or beats the strongest scalar RL baselines on test-time search (e.g. pass@k and best@k), with the gap widening as the search budget grows. For evolutionary search, VPO models unlock problems that GRPO models cannot solve at all. As test-time search becomes more standardized, optimizing for diversity may need to become the default post-training objective.
Authors: Carlos Heredia, Daniel Roncel
Abstract: We propose the Integrable Context-Dependent Demand Network (ICDN), a demand-first neural model for multiproduct retail demand. The model learns log-demand as a smooth, context-conditioned function of log-prices, allowing elasticities to be derived exactly from the learned demand surface. On the Dominick's beer dataset, ICDN improves out-of-sample generalization over a directed log-log benchmark and yields more stable, economically plausible elasticity estimates, especially for weakly identified cross-price effects.
Authors: Ashwani Siwach, Sanjeev Narayan Sharma, Sunil Datt Sharma
Abstract: Long non-coding RNAs (lncRNAs) are emerging regulatory molecules implicated in chronic disease pathogenesis, including Type 2 Diabetes Mellitus (T2D). We investigated ten literature reported lncRNAs associated with T2D: MALAT1, MEG3, MIAT, ANRIL, GAS5, KCNQ1OT1, H19, BCYRN1, XIST, and HOTAIR across two independent population-based RNA-seq cohorts. Single-omics approaches provide an incomplete view of disease biology, therefore, an integrative multi-feature framework was developed, extracting expression, secondary-structure, and sequence features for each lncRNA. Eight machine learning (ML) classifiers were evaluated under stratified k-fold, leave-one-out cross-validation (LOOCV), and repeated hold-out schemes to ensure robust performance estimation. SHAP analysis was applied for subject-level association interpretation. In one cohort, GAS5 and XIST expression features, along with GAS5, MEG3, and ANRIL sequence features, were found to be associated with T2D, while MALAT1 expression and KCNQ1OT1, ANRIL, and MEG3 sequence features were found to be associated in the second cohort. MEG3 was identified by SHAP as the dominant lncRNA in both cohorts. ML results were consistent with established statistical methods while additionally providing population- and subject-level disease association profiles linked to specific molecular feature types. The proposed framework advances mechanistic understanding of T2D and supports lncRNA-based precision medicine.
Authors: Henning Schwarz, Pyei Phyo Lin, Jens-Peter M. Zemke, Thomas Rung
Abstract: Grid-based neural networks such as convolutional autoencoders are widely used in dimension reduction-based surrogate models for computational fluid dynamics. In recent years, the use of coordinate-based approaches like conditional neural fields has emerged. Their independence of the spatial discretization is a beneficial feature for various applications in computational fluid dynamics. This paper discusses the spatio-temporal prediction of aircraft ditching loads using a conditional neural field approach. The model is evaluated using two datasets for the dynamic loads of the fuselage of a DLR-D150 aircraft, one of which relates to a single fixed spatial discretization and the other that includes data from different discretizations. When paired with a long short-term memory (LSTM) network in the latent space, the neural field-based model achieves a spatio-temporal prediction accuracy for the first data set that is close to that of grid-dependent convolutional autoencoder-based models, and with significantly less parameters. Results for the second data set demonstrate the ability of the neural field-based approach to reconstruct ditching loads accurately for heterogeneous spatial discretizations. This allows for flexible use of training datasets generated for different geometries and/or discretizations, as well as the use of the surrogate model to predict loads for different configurations.
Authors: Kyle Higgins, Ivan Laponogov, Dennis Veselkov, Kirill Veselkov
Abstract: Graph neural networks (GNNs) are increasingly used to model biological systems, yet the reliability of post-hoc explanation methods for recovering meaningful molecular mechanisms remains unclear. Here, we systematically evaluate four widely used approaches: Saliency Attribution (SA), Integrated Gradients (IG), GNNExplainer, and Layer-wise Relevance Propagation (LRP) for identifying disease-relevant structure in breast cancer RNA-seq data projected onto a protein-protein interaction network. Using synthetic benchmarks with known ground-truth motifs, we show that explanation methods recover distinct signal organizations: SA performs best for sparse single-node drivers, whereas IG and LRP preferentially recover distributed pathway-like and cascade-like signals. In TCGA BRCA data, we identify a consistent topological signature of disease-associated hubs in which attribution peaks in the immediate 1-hop neighborhood and decays across successive network shells, a pattern most pronounced for IG and LRP and associated with strong enrichment of known cancer hubs. We further observe a trade-off between local hub enrichment and global gene ranking performance, with IG optimizing local enrichment and SA achieving superior global discrimination. Motivated by these complementary behaviors, we introduce a framework combining a shell-based hub score with consensus ranking across explainers. Consensus scores improve prioritization of canonical cancer genes (TP53, BRCA1, ESR1, MYC), reduce dependence on node degree, and, especially when tuned, outperform individual methods. Pathway enrichment further reveals improved recovery of biologically coherent cancer programs, including ERBB2, RTK, MAPK, immune, and cytokine signaling. Together, these results demonstrate that topology-aware integration of graph explanations can improve biological interpretability and biologically relevant molecular recovery.
Authors: Bong Gyun Shin, Chan Sik Lee, Hyesun Suh
Abstract: Atmospheric visibility is a critical variable for transportation safety and air quality management, however, accurate prediction remains challenging due to the complex interactions between meteorological conditions and air pollutants, as well as the rarity of low-visibility events. This study introduces a machine learning framework to nowcast visibility in six major South Korean cities. To handle the imbalance in the 2018-2020 training data, we applied the Synthetic Minority Over-sampling Technique with Nominal and Continuous (SMOTENC) and Conditional Tabular Generative Adversarial Network (CTGAN). An ensemble approach combining machine learning and deep learning models was then used and evaluated on a 2021 test dataset. The results revealed a marked decline in predictive performance in the test set compared to the cross-validation phase. This degradation was attributed to a distributional shift between training and testing periods, which was quantitatively confirmed by measuring the Wasserstein distance of the most influential feature identified by SHAP analysis. In general, this study presents a methodology that aims to simultaneously address the dual challenges of data imbalance and temporal distributional shifts, and emphasizes the necessity of accounting for evolving external environmental factors when implementing nowcasting models on time-series data.
Authors: Jimmy Dubuisson
Abstract: Reference-based graph compression encodes each vertex's neighbor list relative to a recent vertex, exploiting locality to compress large directed graphs. The dominant tool, WebGraph's BVGraph, fixes a single encoding pipeline and relies on a separately chosen vertex ordering -- typically URL-lexicographic or Layered Label Propagation (LLP). The interaction between ordering and encoder is rarely measured. We propose a two-stage Leiden+LLP vertex ordering -- global LLP to seed labels, Leiden community detection, then per-cluster LLP on each induced subgraph -- and study how it interacts with reference-based compression. On graphs with poor initial vertex order, reordering saves 0.3 to 5.4 bits per edge on every dataset and encoder we measured. The size of that gain is largely insensitive to the encoder: on four of five weakly ordered datasets, four independently parameterised encoders agree on the Leiden+LLP-vs-plain-LLP gain within roughly +/- 0.04 bpe. On URL-ordered web crawls, where the distributed ordering already encodes locality, adaptive encoders still benefit from reordering, but encoders tuned to URL-induced residual structure (BV-HC, CG at K>1) are mildly hurt by it. To quantify how much encoder choice matters once ordering is fixed, we contribute three reference-based encoders -- BG, CS, and CG -- that perform per-vertex cost-optimal selection from up to 28 candidate decompositions. Each is run under its own best-tested ordering. The best of the three improves over BVGraph high-compression by 2-9% on every dataset tested, with the encoder-level gain consistently smaller than the ordering-level gain on weakly ordered datasets. The encoder framework also yields a self-delimiting bitstream that supports low-overhead random access.
Authors: Samuel Koovely, Alexandre Bovet
Abstract: Many complex systems can be modeled by temporal networks, whose organization often evolves through distinct structural phases. Detecting the change points that delimit these phases is both important and challenging. In this work, we extend the conditional entropy of heat diffusion from static graphs to temporal networks and study its properties. We provide an upper bound and explain how discrepancies from it arise from the presence of asymmetric temporal paths. Moreover, we show that this quantity is monotone in time, yielding an information-theoretic analog of the second law of thermodynamics for inhomogeneous diffusion on temporal networks. We then introduce a local version of conditional entropy, designed to probe diffusion over finite temporal windows, and show that it provides an informative signal for change-point detection in continuous-time temporal networks. We evaluate the proposed methodology on synthetic benchmarks, including comparative experiments with existing nonparametric baselines in the snapshot setting, and then apply it to a real-world temporal contact network from a French primary school. Finally, we show how to use detected change points to perform community detection on targeted sub-intervals, improving the quality and interpretability of the clustering results.
Authors: Joshua Dennis Booth, Vishvam Patel
Abstract: Graph Partitioning is a critical problem in numerous scientific and engineering domains including social network analysis, VLSI design, and many more. Spectral methods are known to produce quality partitions while minimizing edge cuts for a wide range of problems. However, the computational cost associated with the calculation of the Fiedler vector, an eigenvector associated with the second smallest eigenvalue of the graph Laplacian, remains a significant bottleneck due to memory issues and computational costs. In this paper, we present an accelerated approach to spectral bisection partitioning by replacing the traditional eigenvalue calculation with a simple artificial neural network model to approximate the Fiedler vector. We demonstrate that our approach achieves partitioning quality comparable to spectral bisection while significantly reducing the computational overhead, making it more scalable and efficient for large-scale problems
Authors: Kingsley Yeon, Xuefeng Liu, Promit Ghosal
Abstract: Protein-protein interactions (PPIs) govern nearly all cellular processes, yet computational methods for identifying binding partners typically produce ranked predictions without mechanistic justification. This creates a fundamental barrier to adoption because biologists cannot assess whether predictions reflect genuine biochemical insight or spurious correlations. We present \textbf{Protein Thoughts}, a framework that reformulates PPI discovery as an interpretable search problem with explicit reasoning. The system decomposes binding evidence into four biologically meaningful signals: sequence similarity reflecting evolutionary relationships, structural complementarity capturing geometric fit, interface balance, and chemical compatibility encoding residue-level interactions. Rather than collapsing these signals into an opaque score, we preserve their individual contributions through a transparent value function that enables both ranking and auditing. To navigate large candidate spaces efficiently, we introduce hypothesis-guided entropy-regularized Tree-of-Thoughts search. A fine-tuned language model generates search directives from embedding-derived features, classifying candidates as high-priority, exploratory, or skippable. These directives condition a Boltzmann policy that balances exploitation with entropy-driven exploration, while hypothesis-aware pruning prevents premature abandonment of promising candidates. For candidates exhibiting score disagreement, hypothesis-conditioned embedding-space flow matching transports protein embeddings toward the binder manifold. On the SHS148k benchmark, Protein Thoughts achieves mean best-binder rank of 11.2 versus 47.7 for an entropic tree search baseline, a 76% improvement, and for binding prediction the trained value function achieves $91.08 \pm 0.19$ Micro-F1, outperforming existing PPI methods on the same dataset.
Authors: Farzaneh Barzegar, Tobias Bolch, Norbert Kuehtreiber, Silvia L. Ullo
Abstract: Glaciers play a critical role as freshwater reserves and indicators of climate change, yet their automatic delineation, especially for debris-covered glaciers, remains challenging due to spectral similarity with surrounding terrain. This study introduces CryoNet, a deep learning framework that leverages a rich multi-modal dataset combining Sentinel-2 optical imagery, DEM-derived topographic variables, spectral indices, Principal Component Analysis (PCA), InSAR coherence and phase, tasseled-cap features, and GLCM texture to discriminate clean-ice glaciers, debris-covered glaciers, and glacial lakes. CryoNet is an encoder-decoder CNN with nested skip connections and spatial-channel Squeeze-and-Excitation (scSE) attention, built upon a ResNet101 encoder to capture hierarchical contextual and spatial features. The study is conducted in the Poiqu Basin in the central Himalaya, and transferability is evaluated by applying the trained model to the Mont Blanc Massif in the Alps. We additionally analyse the importance of each data layer in improving glacier mapping performance. The proposed model achieves an overall IoU of 90.52%, mean Recall of 98.08%, and mean Precision of 92.26%. For debris-covered glaciers specifically, CryoNet obtains an IoU of 90.46%, a recall of 95.79%, and a precision of 94.21%. Across both per-class and overall metrics, CryoNet surpasses DeepLabV3+, SegFormer, and U-Net, taken as state-of-the-art (SOTA) references, demonstrating its effectiveness for robust glacier mapping in complex high-mountain environments.
Authors: Roberto Cavoretto, Alessandra De Rossi, Adeeba Haider, Amir Noorizadegan
Abstract: Kolmogorov-Arnold Networks (KANs) approximate multivariate functions using learnable univariate edge functions, typically parameterized by B-spline bases. Although effective, spline-based implementations can be computationally expensive. A modified version of KANs, called FastKAN, improves efficiency by replacing splines with Gaussian radial basis functions (RBFs), but it relies on a fixed kernel and shape parameter. In this work, we extend the RBF-based KAN framework by introducing a broader family of radial basis kernels and by initializing the kernel shape parameter using leave-one-out cross-validation (LOOCV). To the best of our knowledge, this is the first study that integrates LOOCV-based kernel scale estimation with deep KAN training. We also introduce Mat\'ern and Wendland kernels into the KAN framework for the first time, enabling more flexible basis representations beyond the Gaussian kernel used in FastKAN. The LOOCV estimate provides a data-driven initialization of the kernel scale, which is subsequently refined during network training. The proposed adaptive RBF-KAN is evaluated on several two-dimensional benchmark functions. The results highlight the importance of kernel selection and adaptive shape parameters, with different kernels showing advantages for smooth functions, discontinuities, and oscillatory patterns. Overall, combining LOOCV-based initialization with adaptive kernel learning provides a practical strategy for improving RBF-based KAN models.
Authors: Leitao Yuan, Qinghua Mao, Daizong Liu, Kun Wang, Wenjie Wang, Yan Teng, Jing Shao, Dongrui Liu
Abstract: Multimodal large language models (MLLMs) remain vulnerable to transfer-based targeted attacks, where perturbations optimized on open-source surrogate encoders can generalize to closed-source MLLMs. A key challenge for improving adversarial transferability is to effectively capture the intrinsic visual focus shared across different models, such that perturbations align with transferable semantic cues rather than surrogate-specific behaviors. However, existing methods suffer from spatial-domain feature redundancy and surrogate-specific gradient signals, thereby hindering cross-model transferability. In this paper, we propose FRA-Attack, which addresses both challenges from a unified frequency-domain regularization perspective. For feature alignment, a high-pass DCT objective on patch features suppresses redundant global structures and concentrates the loss on the high-frequency band that carries the MLLMs' intrinsic visual focus. For gradient optimization, we introduce Frequency-domain Gradient Regularization (FGR), a \textit{model-agnostic} low-pass regularizer that modulates the surrogate gradient using only the geometric frequency coordinate, \textit{i.e.}, no surrogate-derived statistic is involved, so that FGR is model-agnostic by construction, removing surrogate-specific high-frequency artifacts while preserving transferable low-frequency directions. Together, the two components form a unified frequency-domain treatment of transferability. Extensive experiments on $15$ flagship MLLMs across $7$ vendors show that FRA-Attack achieves superior cross-model transferability, particularly with state-of-the-art performance on GPT-5.4, Claude-Opus-4.6 and Gemini-3-flash.
Authors: Zeyu Liu, Zheng Li, Feng Xie, Yan Zeng, Hao Zhang, Kun Zhang
Abstract: We study the problem of selecting covariates for unbiased estimation of the total causal effect.Existing approaches typically rely on global causal structure learning over all variables, or on strong assumptions such as causal sufficiency - where observed variables share no latent confounders - or the pretreatment assumption, which limits covariates to those unaffected by the treatment or outcome. These requirements are often unrealistic in practice, and global learning becomes computationally prohibitive in high-dimensional settings.To address these challenges, we propose a novel local learning method for covariate selection in nonparametric causal effect estimation that avoids both the pretreatment and causal sufficiency assumptions. We first characterize a local boundary that contains at least one valid adjustment set whenever one exists for identifying the causal effect, and then develop local identification procedures to efficiently search within this boundary.We prove that the proposed method is sound and complete. Experiments on multiple synthetic datasets and two real-world datasets show that our approach achieves accurate causal effect estimation while substantially improving computational efficiency.
Authors: Jongchan Park
Abstract: Conventional wisdom holds that large-batch training is fundamentally incompatible with Reinforcement Learning (RL) - beyond a modest threshold, increasing batch sizes typically yields diminishing returns or performance degradation due to the inherent non-stationarity of the data distribution. We challenge this view by observing that non-stationarity is not a fixed property of RL, but evolves throughout training: early stages exhibit rapid behavioral shifts that demand small batches for plasticity, whereas late stages approach a quasi-stationary regime where large batches enable precise convergence. Motivated by this observation, we propose Adaptive Batch Scaling (ABS), that dynamically adjusts the effective batch size according to the stability of the learning policy. Central to ABS is Behavioral Divergence, a novel metric that quantifies policy non-stationarity by measuring action-level shifts between consecutive updates, which we use to scale batch size inversely to policy volatility. Integrated with the Parallelised Q-Network (PQN) algorithm and evaluated on the ALE benchmark, ABS seamlessly reconciles early-stage plasticity with late-stage stable convergence. Strikingly, contrary to conventional wisdom, our results reveal that the combination of larger networks and larger batch sizes achieves the best performance - a scaling behavior previously thought to be unattainable in RL, now unlocked through adaptive batch control.
Authors: Jiayun Wang, Yu Wang, Weijie Gan, Zhenting Wang, Wei Wei
Abstract: We introduce spatially grounded contextual image generation, a controllable image generation task that reframes the conditioning paradigm. Instead of supplying a reference image and a global text prompt through two separate encoders, one for vision and one for language, UniVL is trained to bind semantics to spatial locations directly from a single unified visual input, where the textual instruction is rendered onto the spatial mask. This removes the need for a standalone text encoder at inference time. The resulting model supports contextual image generation by following user-specified instructions about what should appear where, while substantially reducing computation. To address this task, we propose a framework in which the UniVL encoder, adapted from an optical-character-recognition-pretrained backbone, reads the unified condition optically and produces a UniVL embedding, fVIL, that fuses visual and semantic intent with spatial locations in a single token sequence. A two-stage pipeline first aligns UniVL with the VAE embedding space and then conditions a pretrained diffusion backbone entirely on UniVL embeddings, eliminating the standalone text encoder, such as T5. Although this reframing uses a deliberately minimal text interface, it yields strong empirical gains. On UniVL-ImgGen, a benchmark of 477K mask-annotated images that we construct for training and evaluation, UniVL improves image quality over text-prompted baselines, reducing FID from 14 to 11 and increasing PSNR from 16 to 20. It also eliminates the text encoder entirely, reducing inference TFLOPs by up to 52% and runtime by up to 44%. Additional ablation studies validate the contributions of the proposed components, paving the way for efficient, spatially grounded image generation with a unified conditioning paradigm.
Authors: Arun-Balajiee Lekshmi-Narayanan, Mohammad Hassany, Peter Brusilovsky
Abstract: Worked examples are step-by-step solutions to problems in a specific domain, offered to students to acquire domain-specific problem-solving skills. The effectiveness of worked examples could be enhanced by combining them with self-explanations, which ask students to explain rather than passively study each problem-solving step. The main challenge of this approach is assessing the correctness of the student's explanations. In the prevailing approach, student explanations are judged by their semantic similarity to an instructor's or domain expert's explanation. Given recent advances in LLM-based automated scoring, it remains unclear whether semantic similarity methods are still the most effective technique to automatically score textual student responses like essays or code explanations. Comparing these methods also requires quality datasets that offer distinctive features such as balanced class distributions and domain-specific labeled data for automated scoring tasks. In this paper, we present a rigorous comparison between LLMs and semantic similarity used for automated scoring, framed as a binary classification task.
Authors: Chang Liu, Noah Fleischmann, Nicol\`o Altamura, Edward Raff, James Holt, Kristopher Micinski
Abstract: Existing binary corpora typically capture only one or two axes of binary variation: they either provide cross-compiler builds without a temporal axis, or CVE labels for single-build binaries. None combine cross-build diversity, cross-version history, and CVE labels into a queryable structure. We present ASSEMBLAGE-DEEPHISTORY, which consolidates these dimensions into a unified framework where every binary's compilation context, source code, vulnerable functions, and package version are stored as first-class metadata. ASSEMBLAGE-DEEPHISTORY comprises 73,610 binaries spanning 248 open-source projects, compiled across GCC, Clang, and MSVC at multiple optimization levels on Linux and Windows, with multi-year historical builds. Each binary is indexed in a database that links it to its source code, functions, debug info, variant builds, historical versions, and vulnerable functions. Three analyses demonstrate this structure's value: (1) a three-stage LLM benchmark (recognition, strategy-guided detection, and cross-build transfer) to test whether LLMs reason about binary vulnerabilities or pattern-match on build-specific artifacts; (2) a comparison of MalConv embeddings, jTrans function embeddings, and TLSH fuzzy hashes quantifying how same-package versions cluster in each space; and (3) a Bayesian regression decomposing binary similarity into contributions from temporal distance, file changes, and commits.
Authors: Arip Asadulaev
Abstract: We describe an adaptive market-making architecture that preserves the analytical structure of the Avellaneda--Stoikov framework while introducing a successor measure-style adaptation mechanism. In our paper we keep Avellaneda--Stoikov fast Hamilton--Jacobi--Bellman structure and make it adaptive to changing market regimes and trading objectives. The central idea is to separate market dynamics from the trading objective. The market state determines a low-dimensional set of Avellaneda--Stoikov parameters, while recent realized rewards determine a low-dimensional objective vector. The HJB forward map then converts this objective into optimal bid and ask quotes through a scalarization of future reward features.
Authors: Xiaochen Du, Juno Nam, Jaemoo Choi, Wei Guo, Sathya Edamadaka, Junyi Sha, Elton Pan, Yongxin Chen, Molei Tao, Rafael G\'omez-Bombarelli
Abstract: Sampling from discrete distributions with multiple modes and energy barriers is fundamental to machine learning and computational physics. Recent discrete neural samplers like MDNS suffer from mode collapse and fail to sample high-energy barrier regions between modes, which is critical for free energy estimation and understanding phase transitions. We propose Metadynamics Discrete Neural Sampler (MetaDNS), a general framework integrating well-tempered metadynamics into discrete diffusion or autoregressive samplers. By maintaining an adaptive, history-dependent bias potential along selected low-dimensional coordinates, MetaDNS forces exploration of previously inaccessible regions, enabling free energy reconstruction infeasible with standard neural samplers due to a lack of high-energy samples. On challenging low-temperature benchmarks including Ising, Potts, and the copper-gold binary alloy, MetaDNS reproduces the thermodynamic distribution. Compared to MCMC-based metadynamics, MetaDNS also achieves comparable exploration requiring fewer bias deposition steps.
Authors: Gon\c{c}alo Gomes, Bruno Martins, Chrysoula Zerva
Abstract: Image captioning evaluation remains a significant challenge, as vision-language models evolve toward more challenging capabilities such as generating long-form and context-rich descriptions. State-of-the-art evaluation metrics involve extensive computational costs associated with the use of Large Language Models (LLMs) as judges, or instead suffer from the limitations of standard CLIP-based encoders, such as strict token limits, lack of fine-grained sensitivity, or lack of compositional generalization by treating captions as ``bags-of-words.'' We propose a new learned metric that tackles the aforementioned challenges, based on a lightweight cross-encoder that is initialized from a visual question-answering model checkpoint, balancing a strong weight initialization with computational efficiency. Our training scheme uses a carefully assembled data mixture for supervised learning, featuring adversarial LLM-based data augmentations to enhance model sensitivity to fine-grained visual-linguistic errors. We also introduce a new benchmark designed to assess detailed captioning evaluation across diverse scenarios. Experimental results demonstrate that the proposed metric achieves state-of-the-art performance while maintaining the efficiency required for large-scale benchmarking, quality-aware decoding, or reward guidance.
Authors: Prashant Shekhar, Caroline Howard
Abstract: Logged advertising auctions make offline reserve-price evaluation attractive but risky. Replay tables can identify policies with large apparent yield gains, yet they can also hide weak threshold support, multiple-comparison effects, subgroup harm, and bidder-response uncertainty. Existing replay and off-policy evaluation methods estimate or rank policy values, but they do not directly answer the operational question of whether the available evidence is strong enough to justify validation. This paper develops a support-aware offline decision framework for reserve-policy selection. Rather than outputting a single point-estimate winner, the framework converts logged evidence into a conservative decision object consisting of certified policies, statistically dominated alternatives, and unresolved candidates requiring further validation. The main theoretical result gives a unified finite-catalog guarantee showing that, under simultaneous uncertainty control and conservative support gates, the framework preserves the best gate-passing policy while eliminating only policies with certified regret. Supporting results characterize support-localized replay generalization, establish information-theoretic threshold-resolution limits, and quantify when heterogeneous bidder response can overturn localized replay rankings. Experiments on iPinYou real-time-bidding logs show that the leading reserve rule achieves a 47.66% replay lift in season two, a 40.71% simultaneous lower-bound lift, and a 43.87% frozen out-of-time replay lift in season three. The framework reduces a 19-policy catalog to a two-policy validation shortlist while certifying non-harm across 44 advertiser, exchange, and region segments. The results support the central claim that offline reserve-policy evaluation should produce certified validation decisions rather than point-estimate rankings alone.
Authors: Danyu Sun, Jinghuai Zhang, Yuan Tian, Zhou Li
Abstract: Recent benchmark efforts have advanced the evaluation of large language models (LLMs) in cybersecurity, including tasks such as penetration testing and vulnerability identification. However, a critical cybersecurity task, namely intrusion detection from system logs, remains unexplored. In this work, we present a new benchmark to assess LLMs' capabilities in supporting host-based intrusion detection systems (HIDS). This task requires fine-grained reasoning over large-scale, noisy, and highly imbalanced system logs, where complex interactions between benign and malicious activities make reliable detection challenging. Our benchmark unifies three public system log datasets, DARPA-E3, DARPA-E5, and NodLink, and introduces a data construction pipeline that transforms raw host telemetry into LLM-compatible inputs, enabling systematic evaluation under realistic intrusion detection settings. Our evaluation of frontier LLMs reveals substantial performance gaps across datasets. While many models achieve high precision (often above 0.8) on simpler datasets, their performance degrades significantly as system logs become noisier and more complex, with MCC frequently dropping below 0.5 and false positive rates increasing sharply. We further analyze model behavior and identify distinct regimes, including conservative detectors with low false positive rates and over-sensitive models that generate excessive alerts. Overall, our results highlight that while LLMs show strong potential for HIDS, their effectiveness is highly sensitive to data complexity, and robust system design is essential for reliable deployment.
Authors: Jiongli Zhu, Haoquan Guan, Parjanya Prajakta Prashant, Nikki Lijing Kuang, Seyedeh Baharan Khatami, Canwen Xu, Xiaodong Yu, Yingyu Lin, Zhewei Yao, Yuxiong He, Babak Salimi
Abstract: Text-to-SQL ensembles improve over single-candidate generation by drawing multiple SQL candidates and selecting one, but their effectiveness is bounded by Pass@K, the probability that at least one of K candidates is correct. Existing methods source diversity heuristically through stochastic decoding or prompt variants, leaving candidate sets dominated by correlated failures. We present DivSkill-SQL, a residual skill optimization framework that builds complementary agentic Text-to-SQL ensembles without model fine-tuning: each new skill is optimized on examples the current skill ensemble fails on, provably targeting its marginal contribution to Pass@K. On Spider2-Lite, DivSkill-SQL improves selected accuracy by up to +11.1 points on Snowflake and +8.3 on BigQuery over the strongest ensemble baseline, with consistent gains across two base models (Opus-4.6 and GPT-5.4). Skills optimized on a single dialect transfer without retraining across dialects (Snowflake, BigQuery, SQLite) and to a different task formulation, such as BIRD-Critic (+2.6 pts). Error diagnostics show up to 3x fewer hallucinated schema references and function calls, indicating that gains come from genuinely reliable complementary skills rather than surface-form variation.
Authors: Mohammadreza Narimani, Alireza Pourreza, Parastoo Farajpoor
Abstract: Field-scale crop maps support supply-chain forecasting and policy, yet statewide crop identification still often depends on retrospective surveys or remote-sensing workflows built around hand-engineered spectral features. Those pipelines can be accurate, but they require repeated preprocessing and often lose robustness across years. This study evaluated whether Google DeepMind's AlphaEarth geospatial embeddings can serve as an analysis-ready alternative for mapping processing tomato systems in California. LandIQ 2018 crop polygons were used to assemble a balanced reference dataset of 4,742 tomato and 4,742 non-tomato fields. For each polygon, 64-band AlphaEarth embedding chips were extracted and aligned with binary masks, then divided into spatially independent training (n = 6,638), validation (n = 1,422), and test (n = 1,424) sets. A U-Net segmentation model was trained on AWS SageMaker using a composite masked binary cross-entropy and soft Dice loss. To complement hard predictions, Monte Carlo dropout was retained at inference and repeated 100 times per chip to estimate predictive mean and variance. On the independent test set, the model achieved 99.19% pixel accuracy, 98.69% precision, 99.40% recall, 99.04% F1 score, 98.11% intersection over union, and 99.02% chip accuracy. Uncertainty maps were consistently highest near field edges and low within field interiors. The results show that AlphaEarth embeddings retain crop-relevant spatial and temporal structure and can support accurate, field-scale tomato mapping without manual feature engineering.
Authors: Kostas Tsampourakis, V\'ictor Elvira
Abstract: State-space models (SSMs) are powerful probabilistic tools for modeling time-varying systems with latent dynamics. Inference in SSMs involves the estimation of latent states and parameters. In this work, we focus on parameter inference, which for SSMs is in general a very challenging problem due to the intractability of the likelihood. Recently, neural estimation methods, such as sequential neural likelihood (SNL), have shown promising results in Bayesian inference problems. In this paper, we show that SNL, when applied to the SSM setting, suffers important limitations, such as requiring a large amount of simulated samples to achieve a moderate performance, scaling poorly with sequence length, while not being amortized. We then introduce a novel inference algorithm called truncated-SNL (T-SNL), which addresses the limitations of SNL. Our algorithm is more accurate, more stable and robust during training, more scalable to longer temporal sequences, and can be amortized when new observations become available. Our experiments show that T-SNL is sample-efficient, robust, and flexible algorithm which outperforms other approaches.
Authors: SeyedSina Seyedi HasanAbadi, Fahimeh Arab, Erfan Nozari, AmirEmad Ghassami
Abstract: Causal discovery from multivariate time series is challenging when causal effects may occur both across time and within the same sampling interval. This issue is especially important in applications such as neuroscience, where the sampling rate may be coarse relative to the underlying dynamics and contemporaneous effects need not form an acyclic graph. We study causal discovery in linear Gaussian structural VAR models under an equal noise variance assumption, meaning that the structural noise terms have a common variance. Unlike the DAG-based cross-sectional equal noise variance setting, the time-series setting considered here does not generally yield point identification of a unique causal graph. Instead, multiple structural VAR parameterizations can induce the same stationary observed process law. We introduce a notion of observational equivalence tailored to this setting and show that the corresponding equivalence class is characterized by orthogonal transformations of the structural equations together with a global positive scale. This characterization leads to an equivalence-aware model discrepancy, the observational alignment discrepancy, which compares structural models modulo transformations that preserve the observed law. Building on this theory, we propose ENVAR, a sparsity-based procedure that searches over the induced observational equivalence class for a sparse normalized structural representative. We evaluate the proposed methodology on synthetic structural VAR data and on an fMRI dataset.
Authors: Yasha Ektefaie, Leo Cui, Shrey Jain, Marinka Zitnik, Pardis Sabeti
Abstract: Phylogenetic trees are hybrid objects: branch lengths vary continuously, while topologies change discretely through edge contractions and expansions. Billera-Holmes-Vogtmann (BHV) tree space provides a canonical geometry for this structure, representing each resolved topology as a Euclidean orthant and topological changes as motion across shared lower-dimensional boundaries. We introduce PhylaFlow, a hybrid flow-matching model that learns posterior-basin transport in BHV tree space. PhylaFlow is trained on BHV geodesic paths from random starting trees to short-run posterior samples, coupling continuous branch-length motion within orthants with learned boundary events and discrete topology transitions. We evaluate the learned geometry operationally: if the flow reaches posterior-relevant regions, finite-budget Bayesian refinement initialized from, or guided by, its terminal trees should recover posterior-supported topologies more efficiently. Across DS1-DS8 phylogenetic posterior benchmarks, PhylaFlow substantially reduces initial Tree-KL relative to classical initializers. After finite-budget MrBayes refinement, direct PhylaFlow improves early and intermediate topology-recovery trajectories on most datasets, while split-guided PhylaFlow-MCMC obtains the strongest hard-case results. The best PhylaFlow variant outperforms short-warmup on seven of eight datasets and PhyloGFN on five of eight under the same refinement budget. In a joint sequence-conditioned experiment, sequence embeddings steer posterior split recovery, although exact posterior topology recovery remains preliminary. These results show that hybrid flow matching can learn actionable transport in BHV tree space and provide a geometry-aware proposal mechanism for Bayesian phylogenetic inference.
Authors: Joseph Nyangon
Abstract: The integration of machine learning with domain-specific physics is transforming the design, monitoring, and control of electricity systems, where data scarcity, limited interpretability, and the need to enforce physical laws constrain purely data-driven models. Physics-informed machine learning (PIML) addresses these limitations by embedding governing equations directly into the learning process, yielding accurate, efficient, and scalable solutions for Industry 4.0 applications. This article reviews hybrid PIML architectures for electricity systems, including physics-informed neural networks (PINNs), Deep Operator Networks (DeepONets), Fourier Neural Operators, Extreme Learning Machine-enhanced PINNs, graph-based PINNs (PIGNNs), and domain-decomposition PINNs. Each approach is examined through case studies spanning field analysis, fault detection, digital twins, surrogate modeling, and control optimization. The review shows that embedding Maxwell's equations and other first-principles constraints substantially improves predictive accuracy under sparse and noisy data, reduces simulation time by orders of magnitude relative to finite element methods, and enhances generalization across operating regimes. Hybrid frameworks consistently outperform purely data-driven baselines on parameter sensitivity, dynamic behavior, and robustness, while supporting real-time digital-twin calibration and uncertainty quantification. Persistent challenges include training instability for stiff multi-scale problems, computational cost of high-fidelity models, and the absence of standardized benchmarks. The findings demonstrate that PIML enables a paradigm shift from black-box data-driven methods to transparent, physics-informed strategies, positioning the field for sustained innovation in resilient and intelligent electricity systems.
Authors: Zhi Chen, Shehab Sarar Ahmed, Chenkai Wang, Brighten Godfrey, Gang Wang
Abstract: Congestion controllers (CCs) are critical to network performance, and yet their robustness under adverse conditions remains insufficiently understood. While recent learning-based CCs have demonstrated strong performance in controlled environments, it is unclear how they compare to traditional CCs when controllers' input signals are corrupted or when environmental conditions become systematically challenging. In this paper, we introduce CCLab, an adversarial testing framework for systematically evaluating the robustness of both learning-based and non-learning-based CCs. CCLab includes a reinforcement learning (RL)-based adversarial agent that operates in a closed loop with the congestion control policy, generating bounded perturbations either on input signals (feature-level) or on external network conditions (environment-level), while preserving realism through explicit constraints. Using this framework, we compare learning-based CCs with non-learning-based CCs under both feature-level and environment-level adversarial conditions. While both types of CCs suffer from performance degradation under adversarial testing, we find that learning-based CCs, in general, are more robust than traditional human-designed algorithms. Finally, we show that our adversarial traces can be used to train more robust CCs that outperform existing learning-based CCs under both challenging and normal conditions.
Authors: Nouhaila Innan, M. Murali Karthick, Simeon Kandan Sonar, Vivek Chaturvedi, Muhammad Shafique
Abstract: Dynamic link prediction is important for modeling evolving interactions in complex systems, including social, communication, financial, and transportation networks. Classical temporal graph models capture sequential dependencies, but they may struggle to represent concurrent and rapidly changing node-edge interactions in large dynamic graphs. We propose A2QTGN (Adaptive Amplitude Quantum-Integrated Temporal Graph Network), a hybrid quantum-classical framework that combines adaptive amplitude encoding with a Temporal Graph Network backbone. The proposed mechanism represents node interaction features as quantum states and selectively refreshes amplitude embeddings based on temporal activity, preserving stable node states while emphasizing meaningful structural changes. This design reduces unnecessary quantum re-encoding and improves temporal representation for link prediction. Experiments on five Temporal Graph Benchmark datasets show that A2QTGN achieves strong predictive and ranking performance across diverse dynamic graphs. Ablation studies confirm the importance of both the quantum embedding module and the adaptive update strategy, while hardware-aware inference using a noisy backend and limited real-device execution supports the feasibility of near-term quantum-assisted temporal graph learning.
Authors: Liu Ziyin, Yuanjie Ren, Adam Levine, Isaac Chuang
Abstract: The training algorithms for AI systems all introduce far-from-equilibrium dynamical processes, and understanding the irreversibility of these algorithms is a fundamental step towards understanding the learning dynamics of modern AI systems. In this work, we establish a general framework for defining and analyzing the irreversibility of training algorithms. We show that four different ways to characterize the irreversibility of dynamical processes are equivalent to leading order in the step size $\eta$: numerical backward error $\phi_{\rm DE}$, time-renormalized correction $\phi_{\rm TR}$, microscopic time reversal asymmetry $\phi_{\rm TA}$, and the (regularized) stochastic-thermodynamic entropy production $\phi_{\rm ST}$. The irreversibility gives rise to a time-reversal-symmetry-breaking emergent force that generically breaks non-isometric continuous reparametrization symmetries, preserves orthogonal symmetries, and leads to a universal preference for those learning trajectories that minimize the entropy production rate.
Authors: Miaobo Hu, Shuhao Hu, BoKun Wang, Yina Sa, Xin Wang, Xiaobo Guo, Daren Zha, Jun Xiao
Abstract: Ranking systems used in decision-support settings should not only order candidates but also expose evidence that can be independently checked. We study evidence-certified candidate ranking: given an intent_id, a predefined plan skeleton, a window-local candidate roster, and text-derived candidate trajectories with span provenance, a system must output a Top-K list together with doc_id:span evidence certificates whose cited spans are sufficient to recover the decision. We instantiate this task on MAVEN-ERE and RAMS with fixed upstream extraction, window-local randomized candidate identifiers, skeleton-aligned trajectory supervision, hard negatives, and audit references. We introduce Evidence-Coupled Policy Optimization (ECPO), a listwise policy-optimization objective whose action is the joint object of ranking and evidence certificate. ECPO first learns an interpretable trajectory reward from skeleton alignment, argument consistency, and optional graph features; it then optimizes a constrained policy with three coupled rewards: listwise ranking utility, span-level certificate validity, and an evidence-cycle reward computed by a label-free deterministic verifier that reconstructs candidate support from claim-stripped cited spans. This reframes the goal from maximizing ordinary NDCG alone to maximizing CertNDCG and decision-evidence coupling. The evaluation compares ECPO against zero-shot, SFT, and GRPO policies, RM-only scoring with deterministic evidence attachment, grammar/JSON-constrained decoding, validator retry, best-of-N RM selection, and post-hoc evidence rationalization under closed-roster, predicted-roster, and hybrid-roster settings.
Authors: Dip Biswas Shanto, Mitali Yadav, Prajwal Panth, Suresh Chandra Satapathy
Abstract: Sentiment analysis, also referred to as opinion mining, primarily tries to extract opinion from any text-based data. In the context of movie reviews and critics, sentimental analysis can be a helpful tool to predict whether a movie review is generally positive or negative. It can be difficult for the ML models to understand the context or metaphysical sentiment accurately, as ML models rely largely on statistical word representations. The objective of this paper is to examine and categorise movie reviews into positive and negative sentiments. Diverse machine learning models are considered in doing so, and Natural Language Processing (NLP) methodologies are employed for data preprocessing and model assessment. The IMDb dataset is used. Specifically, Naive Bayes, Logistic Regression, Support Vector Machines (SVM), LightGBM, LSTM, and transformer-based models such as RoBERTa and DistilBERT were evaluated. After a lot of testing with accuracy, precision, recall, F1-score, and ROC-AUC, RoBERTa performed better than all the other models, with an accuracy of 93.02%. A soft voting ensemble that combined all the models also improved classification performance, showing that model ensembling works well for sentiment analysis.
Authors: Margalit Glasgow, Joan Bruna
Abstract: We consider one-hidden layer neural networks trained in the feature-learning regime using gradient descent, and relate the output of the finite-width network $f_{\hat{\rho}_t^m}$ to its infinite-width counterpart $f_{\rho_t^{MF}}$, which evolves in the mean-field dynamics. While constant-time horizon bounds for $\|f_{\rho_t^{MF}} - f_{\hat{\rho}_t^m}\|$ may be obtained via standard Gr\"onwall estimates, the long-time behavior of the fluctuation is a more delicate matter. Uniform-in-time bounds often rely on (local) strong convexity in the landscape or Logarithmic Sobolev inequalities present in noisy gradient dynamics. In this work, we establish non-asymptotic weak propagation-of-chaos that holds uniformly in time, obtained by exploiting instead the convergence rate of the mean-field deterministic Wasserstein-gradient-flow dynamics. Specifically, denoting by $L_t$ the mean-field excess MSE loss at time $t$ and $m$ the number of neurons, under standard regularity assumptions and the condition $\int_0^\infty L_t^{1/2} dt =O(\log d)$, we obtain the uniform in time bound $\|f_{\rho_t^{MF}}- f_{\hat{\rho}_t^m}\|^2 \lesssim \text{poly}(d) m^{-\min(1,c/6)}$ whenever $L_t \lesssim t^{-c}$. Our result holds in a noiseless setting and does not make any assumptions on the geometry of the landscape near the optimum, and extends seamlessly to other forms of discretization, including finite number of samples and time discretization. A key takeaway of our result is that whenever the convergence rate of the mean-field, population-loss dynamics is faster than $t^{-2}$, we can attain a loss of $\epsilon$ with only $\text{poly}(d/\epsilon)$ neurons, training samples, and GD steps.
Authors: Chaoqi Chen, Qile Xu, Wenjun Zhou, Hui Huang
Abstract: Understanding 3D point clouds through language remains a fundamental challenge in computer graphics and visual computing, due to the irregular structure of point cloud data and the lack of explicit reasoning in existing 3D multimodal models. While Chain-of-Thought (CoT) reasoning has shown strong effectiveness in LLMs and image-based MLLMs, its extension to 3D understanding remains largely underexplored. In this paper, we propose a data-centric framework for constructing large-scale CoT supervision tailored to 3D point cloud understanding. Our framework consists of a two-stage pipeline that first refines point-text instruction data via vision-language-model-based quality evaluation and reference-guided refinement, and then synthesizes high-quality reasoning paths through Human-in-the-Loop Prompt Optimization (HiLPO). Using this approach, we build PoCoTI, a CoT-enhanced point-text instruction-following dataset containing 55K samples with explicit reasoning paths. Fine-tuning PointLLM on PoCoTI yields PointLLM-R, a reasoning-capable 3D multimodal language model. Extensive experiments on generative 3D classification and captioning demonstrate that PointLLM-R achieves state-of-the-art performance and generalizes robustly to real-world scanned point clouds and multi-turn dialogue scenarios.
Authors: Ziyuan Chen, Yueming Lyu, Yi Liu, Weixiang Han, Jing Dong, Caifeng Shan, Tieniu Tan
Abstract: While RAG systems are increasingly deployed in dynamic web search, temporal volatility amplifies their vulnerability to adversarial attacks. Existing static-oriented defenses struggle to handle evolving threats and incur prohibitive storage costs in dynamic settings. We propose RADAR, a framework that models reliable context selection as a graph-based energy minimization problem, solved exactly via Max-Flow Min-Cut. By incorporating a Bayesian memory node, RADAR recursively updates a belief state instead of archiving raw historical documents, effectively balancing stability against attacks with adaptability to genuine knowledge shifts. Experiments on a novel dynamic dataset show that RADAR achieves superior robustness and response quality with minimal storage overhead compared to the baselines.
Authors: Hyeseong Kim, Geonhui Son, Deukhee Lee, Dosik Hwang
Abstract: Novel view synthesis from sparse-view inputs poses a significant challenge in 3D computer vision, particularly for achieving high-quality scene reconstructions with limited viewpoints. We introduce TWINGS, a framework that enhances 3D Gaussian Splatting (3DGS) by directly addressing point sparsity. We employ Thin Plate Splines (TPS), a smooth non-rigid deformation model that minimizes bending energy to estimate a globally coherent warp from control-point correspondences, to align backprojected points from estimated depth with triangulated 3D control points, yielding calibrated backprojected points. By sampling these calibrated points near the control points, TWINGS provides a fast and geometrically accurate initialization for 3DGS, ultimately improving structural detail preservation and color fidelity in reconstructed scenes. Extensive experiments on DTU, LLFF, and Mip-NeRF360 demonstrate that TWINGS consistently outperforms existing methods, delivering detailed and accurate reconstructions under sparse-view scenarios.
Authors: Wentian Wang, Chutong Wen, Hongxu Ma, Wuhao Wang, Zhexiong Xue, Abdul Haseeb Nizamani, Dandi Zhou, Xinhai Sun, Jianqiao Zhu
Abstract: We present CoRMA(Contrastive Robotic Motor Adaptation), a context-based meta-adaptation framework that modifies RMA for force-dominant assembly. CoRMA replaces raw simulator-parameter adaptation with a compact 6D simulator-only semantic contact context describing contact onset, lateral engagement, guided transition, contact direction, and jamming. A deployable causal Transformer adapter infers this context online from force, proprioceptive, and action histories using semantic regression and a force-regime contrastive objective. At deployment, oracle context is removed and replaced by the inferred context, enabling within-episode adaptation without demonstrations, privileged inputs, or gradient updates. We evaluate CoRMA on PegInsert, GearMesh, and NutThread in Isaac Lab / Isaac Sim~5.0 and on a real Marvin arm. Compared with FORGE baselines that achieve high simulation success but degrade substantially on hardware, CoRMA retains higher verified real success under controlled target-pose noise. These results support semantic contact inference as a reusable adaptation interface within a related assembly task family, while broader unseen-task generalization and Real2Sim calibration remain future work.
Authors: Jinhyeok Yang, Hyeongju Kim, Yechan Yu, Joon Byun, Frederik Bous, Juheon Lee
Abstract: While flow-matching text-to-speech (TTS) achieves strong zero-shot speaker similarity and naturalness, it remains susceptible to content fidelity issues, particularly skip and repeat errors from imperfect alignment. We propose RobustSpeechFlow, a training strategy that improves alignment robustness by extending contrastive flow matching with length-preserving repeat and skip latent augmentations. Requiring no external aligners or preference data, our method directly penalizes realistic failure modes and readily integrates into existing pipelines. On Seed-TTS-eval, it reduces the word error rate (WER) from 1.44 to 1.38 using only 0.06B parameters. On our ZERO500 benchmark, it delivers consistent intelligibility improvements across diverse speaker and prosody conditions; at NFE=24, it reduces English character error rate (CER) from 0.48\% to 0.35\% and Korean CER from 0.81\% to 0.57\%. Audio samples: https://robustspeechflow.github.io/
Authors: Farah Elnakhal, Alberto Marchisio, Nouhaila Innan, Gabriel Falcao, Muhammad Shafique
Abstract: Photonic quantum computing is a promising platform for scalable quantum machine learning, but designing effective hybrid architectures remains challenging under hardware and optimization constraints. Existing approaches rely on manually tuned architectures that fail to account for the collaboration between classical preprocessing, phase encoding, and photonic circuit structure, limiting both accuracy and hardware compatibility. In this paper, we propose a neural architecture search framework for hybrid photonic quantum-classical models that combines genetic algorithm-based search with learnable quantum phase encoding to systematically explore the joint design space of classical and quantum components. Our framework encodes 19 hyperparameters across six gene groups and evolves a population of hybrid architectures using group-based crossover, per-gene mutation, and elitism, evaluating each candidate on a short training budget before full retraining of the best found design. We evaluate our framework on two image classification benchmarks, Digits and MNIST, achieving final validation accuracies of 99.44% and 98.78%, respectively, with first-principles execution time estimates on the Quandela Ascella photonic QPU projecting single-image inference at 67 ms (Digits) and 149 ms (MNIST). Our quantum contribution analysis further shows that the photonic layer extracts non-redundant features orthogonal to the classical pathway, providing a measurable accuracy advantage over classical-only baselines. Our results demonstrate that automated architecture search is both practical and impactful for hybrid photonic systems, opening the way for systematic design space exploration of quantum AI on photonic devices.
Authors: Tobias Christian Nauen, Stanislav Frolov, Brian Bernhard Moser, Federico Raue, Ahmed Anwar, Andreas Dengel
Abstract: The platonic representation hypothesis suggests that sufficiently large models converge to a shared representation geometry, even across modalities. Motivated by this, we ask: Can the semantic knowledge of a language model efficiently improve a vision model? As an answer, we introduce TextTeacher, a simple auxiliary objective that injects text embeddings as additional information into image classification training. TextTeacher uses readily available image captions, a pre-trained and frozen text encoder, and a lightweight projection to produce semantic anchors that efficiently guide representations during training while leaving the inference-time model unchanged. On ImageNet with standard ViT backbones, TextTeacher improves accuracy by up to +2.7 percentage points (p.p.) and yields consistent transfer gains (on average +1.0 p.p.) under the same recipe and compute. It outperforms vision knowledge distillation, yielding more accuracy at a constant compute budget or similar accuracy, but 33% faster. Our analysis indicates that TextTeacher acts as a feature-space preconditioner, shaping deeper layers in the first stages of training, and aiding generalization by supplying complementary semantic cues. TextTeacher adds negligible overhead, requires no costly multimodal training of the target model and preserves the simplicity and latency of pure vision models. Project page with code and captions: https://nauen-it.de/publications/text-teacher
Authors: Alberto Garinei, Stefano Speziali, Alessandro Vispa, Andrea Marini, Sara Cutini, Emanuele Piccioni, Marcello Marconi, Francesco Longo, Matteo Martini, Francesca Fallucchi, Romeo Giuliano, Ernesto William De Luca, Umberto Di Matteo, Sabino Meola
Abstract: We present a framework for detecting transient gamma-ray phenomena in a controlled environment by combining end-to-end simulations of the Fermi-LAT sky with self-supervised spatio-temporal deep learning. We generate a ten-year synthetic Universe with gtobssim and process the simulated events into daily all-sky maps of counts and exposure, obtaining a time-ordered sequence that mirrors the structure of Fermi-LAT observations. To model the nominal evolution of the sky, we employ a Convolutional Long Short-Term Memory (ConvLSTM) network that operates directly on map sequences, preserving spatial locality while learning temporal dependencies. The model is trained to reconstruct expected emission, and departures from the learned baseline are quantified through pixel-wise mean-squared residual maps. We then define statistically motivated anomaly criteria by estimating per-pixel thresholds from the residual distribution on the training set, and we enforce spatial coherence via local filtering to suppress isolated fluctuations. The ConvLSTM is then deployed as trained predictor on Fermi-LAT daily maps, where the sky can depart from the nominal behavior because of genuine astrophysical variability and instrumental non-stationarities. The resulting pipeline flags localized, time-dependent excesses consistent with high-variable sources or transient events (e.g., flares or GRBs) and provides a benchmark for evaluating anomaly-detection strategies on long-duration, Fermi-LAT-like datasets.
Authors: Francesco Orabona
Abstract: This is a verbatim copy of a technical report I wrote in 2017-2018 to obtain the law of the iterated logarithm using the guarantee on the wealth of an online betting strategy.
Authors: Mingkai Deng, Jinyu Hou, Lara S\'a Neves, Varad Pimpalkhute, Taylor W. Killian, Zhengzhong Liu, Eric P. Xing
Abstract: How should an agent decide when and how to plan? A dominant approach builds agents as reactive policies with adaptive computation (e.g., chain-of-thought), trained end-to-end expecting planning to emerge implicitly. Without control over the presence, structure, or horizon of planning, these systems dramatically increase reasoning length, yielding inefficient token use without reliable accuracy gains. We argue efficient agentic reasoning benefits from decomposing decision-making into three systems: simulative reasoning (System II) grounding deliberation in future-state prediction via a world model; self-regulation (System III) deciding when and how deeply to plan via a learned configurator; and reactive execution (System I) handling fine-grained action. Simulative reasoning provides unified planning across diverse tasks without per-domain engineering, while self-regulation ensures the planner is invoked only when needed. To test this, we develop SR$^2$AM (Self-Regulated Simulative Reasoning Agentic LLM), realizing both as distinct stages within an LLM's chain-of-thought, with the LLM as world model. We explore two instantiations: recording decisions from a prompted multi-module system (v0.1) and reconstructing structured plans from traces of pretrained reasoning LLMs (v1.0), trained via supervised then reinforcement learning (RL). Across math, science, tabular analysis, and web information seeking, v0.1-8B and v1.0-30B achieve Pass@1 competitive with 120-355B and 685B-1T parameter systems respectively, while v1.0-30B uses 25.8-95.3% fewer reasoning tokens than comparable agentic LLMs. RL increases average planning horizon by 22.8% while planning frequency grows only 2.0%, showing it learns to plan further ahead rather than more often. More broadly, learned self-regulation instantiates a principle we expect to extend beyond planning to how agents govern their own learning and adaptation.
Authors: Hai-Ling Lu, Yu-Yang Li, Yin-Bi Li, Cun-Shi Wang, A-Li Luo, Jun-Chao Liang, Shuo Li
Abstract: Stellar spectra encode key information on the physical properties and chemical compositions of stars. Accurate stellar parameter determination is essential for addressing major questions such as galaxy and stellar evolution. Large-scale spectroscopic surveys have accumulated unprecedented spectral data. Traditional feature extraction or model-fitting approaches struggle with high-dimensional, massive datasets, limited generalization, and computational inefficiency. Recent advances in large language models demonstrate strong generalization and feature-learning in tasks like natural language processing, DNA/RNA sequence analysis, and protein/chemical parsing. Stellar spectra are continuous sequential signals, enabling the transfer of language models to stellar spectroscopy. Here, we propose a two-stage large language model framework for stellar parameter inference, achieving accurate estimation of effective temperature, surface gravity, metallicity, and abundances of ~20 chemical elements. Scaling-law analyses show systematic performance improvements with increasing data, providing a scalable framework for forthcoming large-scale surveys.
Authors: Jo\"el Roman Ky, Salah Ghamizi, Maxime Cordy
Abstract: Vision-Language Models (VLMs) map complex visual inputs to semantic spaces, but interpreting the cross-modal reasoning of VLMs currently relies on post-hoc explainers evaluated via unimodal perturbation metrics. We expose a limitation in this paradigm: because multimodal datasets contain language priors and modality biases, VLMs frequently exhibit cross-modal redundancy, allowing them to answer visual queries using text alone. Consequently, unimodal metrics penalize faithful explainers, triggering an evaluation collapse where visual and textual rankings fundamentally contradict each other. %(Kendall's $\tau = -0.06$). To resolve this, we introduce Synergistic Faithfulness ($\mathcal{F}_{syn}$), a scalable metric rooted in the Shapley Interaction Index that strictly isolates the joint Harsanyi dividend between modalities, serving as a highly accurate surrogate ($\rho = 0.92$) while achieving a $24\times$ computational speedup. Evaluating 8 distinct XAI methods across 3 VLM architectures and 3 benchmark datasets, reveals that explainers proposed for VLMs heavily over-index on visual salience and significantly underperform adapted attention-based methods in capturing true cross-modal synergy. By decoupling visual plausibility from cross-modal faithfulness, this work provides a rigorous evaluation framework required to safely audit VLM reasoning in high-stakes deployments.
Authors: Tomaso Trinci, Henrique Pi\~neiro Monteagudo, Leonardo Taccari
Abstract: Recent advancements in Multimodal Large Language Models (MLLMs) have demonstrated impressive capabilities in general visual understanding. However, their application to safety-critical driving scenarios remains limited by an inability to accurately perceive and reason about rare high-stakes dynamic events, such as collisions or near-collisions. To address this, we introduce a pipeline that enhances MLLM perception by fusing downsampled video frames with synchronized high-frequency telematics data (IMU and GPS) and semantic insights from specialized computer vision models. Our pipeline generates high-quality pseudo-labels, including descriptive captions and question-answer pairs, specifically designed to train MLLMs to identify and describe Safety-Critical Events (SCEs) in real-world driving footage. We show the effectiveness of our approach fine-tuning the open-source QwenVL-2.5 model via DoRA adapters: our experiments demonstrate significant improvements in identifying and explaining safety-critical events, with fewer than 50M trainable parameters and limited computational budget.
Authors: Hanna Hoffmann, Setareh Bady, Claas de Boer, Max Kirchner, Jan Egger, Rainer R\"ohrig, Frank H\"olzle, Lennart Johannes Gruber, Kunpeng Xie, Marlon Neuhaus, Victor Alves, Guilherme Barbosa, Leonardo Barroso, Jo\~ao Carvalho, Hao Chen, Gabriella d'Albenzio, Andr\'e Ferreira, Nuno Gomes, Yuichiro Hayashi, Kousuke Hirasawa, Rebecca Hisey, Seungjae Hong, Seoi Jeong, Tiago Jesus, Daehong Kang, Satoshi Kasai, Shunsuke Kikuchi, Takayuki Kitasaka, Satoshi Kondo, Hyoun-Joong Kong, Youngbin Kong, Atsushi Kouno, Shlomi Laufer, Kyu Eun Lee, Bining Long, Nooshin Maghsoodi, Hiroki Matsuzaki, Evangelos Mazomenos, Ori Meiraz, Kensaku Mori, Marina Music, Masahiro Oda, Roi Papo, Jieun Park, Rafael Piexoto, Saeid Rezaei, Mariana Ribeiro, Soyeon Shin, Yang Shu, Idan Smoller, Danail Stoyanov, Yihui Wang, Xinkai Zhao, Sebastian Bodenstedt, Isabel Funke, Stefanie Speidel, Behrus Hinrichs-Puladi
Abstract: Achieving high levels of surgical skill through effective training is essential for optimal patient outcomes. Automated, data-driven skill assessment holds significant potential to improve surgical training. While machine learning-based methods are increasingly popular for assessing skills in minimally invasive surgery, their application to open surgery remains limited. We present the results of a dedicated MICCAI challenge designed to benchmark and advance vision-based skill assessment in open surgery. The challenge dataset comprises videos of an open suturing training task recorded with a static GoPro camera in a dry-lab setting, with instrument trajectories available in addition to the primary video modality. The OSS Challenge was hosted over two consecutive years, comprising two and three independent tasks, respectively: (1) classifying skill level into four classes, (2) predicting the full Objective Structured Assessment of Technical Skills across eight categories, and (3) tracking hands and surgical tools. Participants submitted diverse solutions including deep learning-based video models, tracking-driven methods, and hybrid approaches. General-purpose spatiotemporal video models consistently achieved the strongest performance, though conceptually diverse approaches reached competitive levels when well-executed. Predicting fine-grained OSATS scores remains challenging but benefits substantially from increased training data. Keypoint tracking proves difficult given frequent occlusions and out-of-frame instances, limiting current applicability for motion-based skill analysis. This work benchmarks innovative and diverse solutions for surgical skill assessment, highlighting both the promise and current limitations of video-based evaluation in open surgery and identifying critical directions for advancing automated skill assessment toward clinical impact.
Authors: Zhuo Li, Guodong Du, Zesheng Shi, Weiyang Guo, Weijun Yao, Yuan Zhou, Jiabo Zhang, Jing Li
Abstract: Large language models increasingly require specialization across diverse domains, yet existing approaches struggle to balance multi-domain capacities with strict memory and inference constraints. In this work, we introduce SkillWeave, a modular improvement framework that enables LLMs to specialize under fixed memory budgets. SkillWeave partitions full capabilities of a general-purpose model into skillpacks -- lightweight, domain-specific delta modules -- that reorganize and refine the model's internal knowledge. For efficient deployment, SkillWeave integrates SkillZip to compress skillpacks into compact and inference-ready format, enabling strong multi-domain performance with low-latency execution. On multi-task and agentic benchmarks, a 9B SkillWeave model outperforms several baselines and even surpasses a 32B monolithic LLM, while achieving up to 4x speedup.
Authors: Rupak Majumdar, Nikhil Singh, Sadegh Soudjani
Abstract: Safety has been a major concern when deploying deep reinforcement learning algorithms in the real world. A promising direction that ensures that the learned policy does not visit unsafe regions is to learn a \emph{barrier function} along with the policy. A barrier is a function from states to reals that assigns low values to the initial states, high values to the unsafe states, and decreases in expectation on each transition; such a function can be used to bound the probability of reaching unsafe states. Previous attempts learned a barrier function directly from exploration data, but this required either large amounts of data or restrictions on the system dynamics. In this paper, we show how kernel embeddings can be used to learn barrier functions during deep reinforcement learning for stochastic systems with unknown dynamics. Our algorithm, \emph{kernel-based safe exploration (KBSE)}, learns an optimal policy and a barrier simultaneously during exploration. The barriers are computed iteratively, represented as conditional mean embeddings, and provide better probabilistic safety guarantees with more exploration. The exploration algorithm uses the learned barrier functions to identify safety violations. In the case of violation, it intervenes to modify the unsafe action to a safe action, thereby ensuring that the exploration is restricted to actions that bound the probability of reaching unsafe states. We evaluate KBSE on several complex continuous control benchmarks. Experimental results establish our new algorithm to be suitable for synthesizing control policies that are probabilistically safe without degradation in reward accumulation.
Authors: Rui Li, Wenyuan Wu, Weijie Miao
Abstract: Fully homomorphic encryption (FHE) supports only additions and multiplications, so FHE-only neural-network inference typically replaces ReLU with polynomials fitted over empirical activation intervals. Such interval fitting often requires higher-degree polynomials to control activation error, incurring homomorphic evaluation costs, while classification is determined by the final logit decision. We revisit ReLU replacement from a decision-aware perspective: given a trained single-hidden-layer ReLU MLP and a specified calibration set, can an HE-friendly low-degree polynomial replace ReLU without retraining while preserving calibration-set decisions? We focus on quadratic replacement, the lowest-degree choice that retains a genuine per-unit nonlinearity. For calibration sets positive-margin separable in the lifted space, we formulate quadratic replacement as a linear separation problem, yielding necessary and sufficient conditions for calibration-lossless replacement and a constructive algorithm for the coefficients. When the positive-margin condition fails -- typically due to a few misclassified calibration samples -- we extend the same geometric framework via reduced convex hulls and Lagrangian-dual soft-margin relaxations, which bound the influence of any single sample, converting the problem into smaller convex quadratic programs that yield approximately feasible coefficients with high empirical agreement on calibration-set decisions. In particular, at the maximal weight cap $\mu=1$, the reduced-convex-hull relaxation reduces to the convex-hull separation of the strictly separable case; the relaxation thus continuously extends the exact theory. Under CKKS, the quadratic replacement matches plaintext top-1 accuracy on multiple benchmarks, running 3.7--4.1$\times$ faster than Remez-7 in the activation module and 1.18--1.68$\times$ faster end-to-end.
Authors: Diep Luong, Konstantinos Drossos, Mikko Heikkinen, Tuomas Virtanen
Abstract: Audio context determines which sound components and sources are relevant and which can be perceived as irrelevant (noise) by listeners. For example, traffic noise is informative in urban surveillance but noise for a phone call at the same location. Most current audio denoising systems apply fixed target-noise definitions, often removing useful components in one context while failing to suppress irrelevant components. To address this, we introduce the concept automatic contextual audio denoising (ACAD) which defines target and noise based on the inferred context. In this work, we restrict context to be associated with an acoustic scene class. We label sound events outside the event distribution of a scene class (noise) as out-of-context (OC) and events typical for that scene as in-context (IC). We implement a deep learning method that automatically infers the context of the audio signal and removes OC components, and benchmark it against variants: without context inference, with oracle context, and with separately provided uninformative context. On paired clean/noisy data across diverse contexts, where OC components in one context may be IC in another, our proposed method outperforms other approaches across standard objective metrics, indicating that the model can infer context and context-dependent processing can enhance denoising.
Authors: Fiona Y. Wong, Markus J. Buehler
Abstract: Scientific evidence often spans instruments, databases, and disciplines, so no single source records the full phenomenon. This makes it difficult to determine when coordinated AI agents add value over simpler scientific workflows. We evaluate this question with a cross-domain benchmark spanning four scientific tasks: mapping molecular structure into musical representations, detecting historical paradigm shifts in science, identifying vector-borne disease emergence, and vetting transiting-exoplanet candidates. Each case uses a frozen evaluation panel, predefined scoring protocols, explicit baselines, ablations or null controls, and stated limitations. The results define three operating regimes. When different disciplines each capture only part of the phenomenon, cross-channel composites improve over single-channel baselines: climate-vector emergence reaches AUROC 0.944 and exoplanet vetting reaches AUROC 0.955. However, the exoplanet workflow is effectively tied with a strong combined-summary baseline, showing that decomposition does not always improve top-line performance. When one signal dominates, as in paradigm-shift detection, coordination mainly improves interpretation and traceability. For molecular sonification, the gain is representational rather than predictive. ScienceClaw x Infinite provides the auditable artifact and provenance layer for this evaluation. The benchmark therefore assigns value to coordination only when the corresponding performance, provenance, or representation claim is supported by explicit comparators.
Authors: Marvin Hofer, Erhard Rahm
Abstract: Integrating new data into knowledge graphs (KG) typically involves different tasks that are executed within workflows or pipelines There are many possible pipelines for a specific integration problem but there is not yet a general approach to evaluate the overall quality and performance of such pipelines to be able to determine the best choices. We therefore propose a new benchmark KGI-Bench to evaluate integration pipelines that ingest different kinds of input data into an existing KG. We evaluate pipelines by analyzing their output, i.e., the updated KG, with the three complementary quality metrics coverage, correctness and consistency. We also provide benchmark datasets (seed KG, overlapping input data of three formats, reference KG as a ground truth) for the movie domain. To demonstrate the applicability and usefulness of the proposed benchmark, we comparatively evaluate 12 pipelines and analyze their behavior across different input data formats and design choices.
Authors: Minh Triet Pham, Ian Gallagher
Abstract: Two of the most widely used methods for analysing graph data, Adjacency Spectral Embedding and Laplacian Spectral Embedding, often produce different results when applied to the same network. Yet the structural reasons behind this disagreement remain incompletely understood. This paper provides a structural account. We show that regularity is a sufficient condition for perfect agreement: when every node has the same number of connections, the two methods produce identical latent subspaces. Any departure from this regularity introduces disagreement, and we prove an explicit bound whose two terms suggest the structural ingredients controlling it: degree heterogeneity, which pushes the methods apart, and community structure strength, which pulls them back together. We validate both drivers empirically across thousands of simulated networks, confirming that heterogeneity drives disagreement up, community strength suppresses it, and their ratio provides a strong predictor of when the two embeddings can be treated as interchangeable and when they cannot.
Authors: Hanyu Guo, Jiedong Yang, Chao Chen, Longfei Xu, Kaikui Liu, Xiangxiang Chu
Abstract: Public transit route planning traditionally depends on structured map infrastructure and complex routing engines, and no existing dataset supports training models to bypass this dependency. We present TransitLM, a large-scale dataset of over 13 million transit route planning records from four Chinese cities covering 120,845 stations and 13,666 lines, released as a continual pre-training corpus and benchmark data for three evaluation tasks with complementary metrics. Experiments show that an LLM trained on TransitLM produces structurally valid routes at high accuracy and implicitly grounds arbitrary GPS coordinates to appropriate stations without any explicit mapping. These results demonstrate that transit route planning can be learned entirely from data, enabling end-to-end, map-free route generation directly from origin-destination information. The dataset and benchmark are available at https://huggingface.co/datasets/GD-ML/TransitLM, with evaluation code at https://github.com/HotTricker/TransitLM.
URLs: https://huggingface.co/datasets/GD-ML/TransitLM,, https://github.com/HotTricker/TransitLM.
Authors: Quang Duc Nguyen, Siyuan Liang, Yiming Li, Fushuo Huo, Dacheng Tao
Abstract: Time Series Forecasting (TSF) plays a critical role across many domains, yet it is vulnerable to backdoor attacks. However, backdoor defenses tailored to TSF remain underexplored, due to data entanglement and task-formulation shift challenges. To fill this gap, we conduct a systematic evaluation of thirteen representative backdoor defenses across the TSF life cycle and analyze their failure modes. Our results reveal two fundamental issues: (1) data entanglement induces channel-level signal dilution, rendering sample-filtering and trigger-synthesis defenses ineffective at localizing backdoors; and (2) task-formulation shift leads to training-loss degeneration, causing poisoned and clean windows to become indistinguishable at training stages. Based on these findings, we propose a training-time backdoor defense for TSF, termed TimeGuard. Our method adopts channel-wise pool training as the core paradigm and initializes a high-confidence pool using time-aware criteria to mitigate signal dilution. Moreover, we introduce distance-regularized loss selection to progressively expand the reliable pool during training and ease loss degeneration. Extensive experiments across multiple datasets, forecasting architectures, and TSF backdoor attacks demonstrate that TimeGuard substantially improves robustness, boosting $\mathrm{MAE}_\mathrm{P}$ by $1.96\times$ over the leading baseline, while preserving clean performance within 5% $\mathrm{MAE}_\mathrm{C}$.
Authors: Ying Xie, Yi Zheng, Zehui Xiao, Wenkai Lu, Mengting Liu
Abstract: With the advancement of science and technology, the importance of emotion research has become increasingly evident. Electroencephalography (EEG)-based emotion recognition has emerged as an active research area in recent years, owing to its objectivity and high temporal resolution. However, most existing methods focus on optimizing encoder structures to enhance feature extraction capabilities, while paying relatively little attention to similarity calculation strategies, particularly overlooking the potential temporal misalignment of responses among different subjects. To address these shortcomings, this paper draws inspiration from the late interaction mechanism of ColBERT in natural language processing (NLP) and proposes a Temporal Asynchronous Alignment-based Contrastive Learning (TA2CL) framework. This method transforms the traditional global "hard alignment" similarity calculation approach into a fine-grained local matching mechanism, enabling the model to adaptively search for and align "locally highly correlated" segments between two EEG signals, thereby effectively mitigating the effects of inter-subject differences and temporal delays. Experimental results demonstrate that the proposed method achieves strong performance across multiple public datasets. Specifically, on the FACED dataset, it achieves an accuracy of 64.5% for the nine-class classification task and 79.5% for the binary classification task, while on the SEED and SEED-V datasets, it achieves accuracies of 86.4% and 70.1%, respectively, validating the method's effectiveness and generalization capability.
Authors: Pranshu Rastogi, Madhav Mathur, Ramaneswaran S, Kshitij Mohan
Abstract: In recent years social media has become an increasingly popular tool for communication. People use it to share their ideas, exchange information, and discuss thoughts. Given its prevalence and widespread reach, social media must remain a safe space for people. Content generated on social media can be abusive and it has become increasingly important to detect such content. In this paper, we use a language-based preprocessing and an ensemble of several models and analyze their performance of abusive comment detection. Through extensive experimentation, we propose a pipeline that minimizes the false-positive rate (marking non-abusive as abusive) so that these systems can detect abusive comments without undermining the freedom of expression.
Authors: Jianing Yin, Tan Tang
Abstract: Large language model (LLM) agents still struggle with long-term memory question answering, where answer-supporting evidence is often scattered across long conversational histories and buried in substantial irrelevant content. Existing memory systems typically process memory before future queries are known, then retrieve the resulting units based on similarity rather than their utility for answering the query. This workflow leaves downstream answerers to denoise retrieved candidates and reconstruct query-specific evidence. We present DeferMem, a long-term memory framework that decouples this problem into high-recall candidate retrieval and query-conditioned evidence distillation. DeferMem uses a lightweight segment-link structure to organize raw history and retrieve broad candidates at query time. It then applies a memory distiller trained with DistillPO, our reinforcement learning algorithm for distilling the high-recall but highly noisy candidates into a set of faithful, self-contained, and query-conditioned evidence. DistillPO formulates post-retrieval evidence distillation as a structured action comprising message selection and evidence rewriting. It optimizes this action with a decomposed-and-gated reward pipeline and structure-aligned advantage assignment, gating reward components from validity to quality checks while exposing task-level correctness feedback early and assigning each reward to its responsible output span. On LoCoMo and LongMemEval-S, DeferMem surpasses strong baselines in QA accuracy and memory-system efficiency, achieving the highest QA accuracy with the fastest runtime and zero commercial-API token cost for memory operations.
Authors: \v{S}tefan Ku\v{c}er\'ak, Jakub Breier, Xiaolu Hou
Abstract: Vision processing units and other commercial neural-network inference accelerators are increasingly deployed in safety-relevant edge applications, but their fault response under transient hardware disturbances remains poorly characterized in the open literature. For the Intel Movidius Myriad X, packaged as the Intel Neural Compute Stick 2 (NCS2), only a single feasibility study has been published. We report a systematic single-pulse electromagnetic fault injection (EMFI) campaign on the NCS2 running three ImageNet-trained convolutional neural networks (ResNet-18, ResNet-50, VGG-11) on the OpenVINO runtime. Across 1,536 spot-test trials at characterized hotspots and approximately 16,000 parameter-search trials, single pulses produce four reproducible outcome classes: no measured accuracy change, minor silent data corruption, major persistent degradation that survives across subsequent inferences until model reload, and device hangs requiring USB power-cycling; these outcomes are respectively interpreted as no-effect, SDC with possible SET-like or small persistent-state mechanisms, SEU-like persistent corruption, and SEFI-like loss of functionality. Two findings are central. First, the major-degradation class can be induced at 18-31% of trials at characterized hotspots, with post-collapse top-1 accuracy below five percent and persistence across all subsequent inferences until explicit model reload - a regime that no inference-API-level mechanism detects. Second, this regime is also inducible by pulses delivered to an idle device with the model already loaded, demonstrating that load-time integrity checks alone are insufficient. We discuss mitigation strategies graded by class, focusing on mechanisms implementable at the application level without modification to the device firmware or the OpenVINO runtime.
Authors: Luigi Foscari, Matilde Tullii, Vianney Perchet
Abstract: Shilling is the use of artificial bids to make competition appear stronger and push prices upward. We study repeated first-price auctions in which shilling affects feedback but not allocation: the learner wins or loses against the real competing bid, but after a loss observes the maximum of the real bid and an independent shill bid. Thus the manipulation changes what the learner observes and hence how it learns to bid, without changing the outcome of the current auction. We analyze regret with respect to the best bid benchmark, assuming that the shill-bid distribution is known. Even then, shilling can mask the real bid, while useful side information appears only through intermittent low-shill events. Our algorithm combines a robust interval-elimination branch, which ignores the shilled report and achieves the dynamic-pricing rate $\tilde{\mathcal{O}}(T^{2/3})$, with an optimistic branch that debiases losing-side reports and exploits the resulting suffix information when it is reliable and achieves the first-price auctions rate $\tilde{\mathcal{O}}(\sqrt{T})$. A validation and racing procedure lets the algorithm use these optimistic updates without knowing the right scale or feedback geometry in advance. We complement the upper bounds with a matching lower bound, up to logarithmic factors, in the single-active-region case. Overall, the results show that even feedback-only shilling can sharply alter the statistical difficulty of repeated bidding.
Authors: Valeria Pais, Malena Mendilaharzu, Daniele Faccio, Luis Oala, Christoph Clausen, Bruno Sanguinetti
Abstract: Real-world deployment of AI vision models is both fueled and limited by the data available for training and testing. Real datasets are sparse and uneven: long-tailed or unbalanced distributions hinder generalization, and the low number of samples in low density regions makes it hard to run evaluations. Synthetic data can fill these gaps, providing us with a way to sample the input space more continuously and improve data coverage for benchmarks. Focusing on the autonomous driving safety-critical case of pedestrian detection in the dark, we show how synthetic low-light samples can be used to better characterize the performance of a state-of-the-art object detection model as a function of the scene illumination. We use a synthetic RAW image augmentation technique to generate low-light samples that match the noise model of the camera sensor. Performance metrics on real and synthetic low-light data are similar, indicating that the AI model finds it hard to distinguish between them.
Authors: Maximilian Schier, Lea Richtmann, Christian Staufenbiel, Tobias Schmale, Daniel Borcherding, Mich\`ele Heurs, Bodo Rosenhahn
Abstract: Scalable trapped-ion quantum computing is commonly realized with modular chips that feature distinct zones with specific functionalities, such as storage, state preparation, and gate execution. To execute a quantum circuit, the ions must be transported between these zones. This process is called ion shuttling. To achieve reliable computation results, the shuttling process must be optimized. However, as the number of ions increases, this becomes a high-dimensional optimization problem where optimal solutions cannot be computed efficiently. We demonstrate, to the best of our knowledge, the first use of reinforcement learning (RL) for the optimization of ion shuttling. RL is well-suited for such scenarios, as it enables learning a strategy through direct interaction with the problem. We show that our RL approach outperforms current state-of-the-art heuristic techniques, yielding a reduction in shuttling operations of up to 36.3 %. Furthermore, we show that our method is easily applicable to various chip architectures. Our approach offers a versatile method to study shuttling efficiency during chip design and, therefore, a highly relevant tool for future, more complex architectures.
Authors: Simon Dennis, Rivaan Patil, Kevin Shabahang, Hao Guo
Abstract: Agent orchestration frameworks have proliferated, collectively exceeding 290,000 GitHub stars across LangGraph, CrewAI, Google ADK, OpenAI Agents SDK, Semantic Kernel, Strands, and LlamaIndex. All follow the same pattern: an external orchestrator above the LLM, injecting instructions and routing decisions every turn. Recent work has shown this architecture is dominated for procedural tasks by simply providing the procedure in a frontier model's system prompt [Dennis et al., 2026a], at the cost of consuming the context window, requiring a frontier model for every conversation, and exposing proprietary procedures to third-party providers. Compiling the procedure into the weights of a small fine-tuned model -- creating a subterranean agent -- should resolve all of these concerns, and prior work (SimpleTOD, FireAct, SynTOD, WorkflowLLM, Agent Lumos) has shown the technique works. Yet developer adoption has overwhelmingly favored orchestration. We identify three perceived barriers and address each empirically across travel booking (14 nodes), Zoom support (14 nodes, product-specific knowledge), and insurance claims (55 nodes, 6 decision hubs).
Authors: Tianyun Zhang, Zhen Yang, Haozhao Wang, Ru Zhang, Yongfeng Huang
Abstract: Federated learning faces increasing threats from model poisoning attacks, which harms its application to improve privacy. Existing defense methods typically rely on fixed thresholds or perform clustering with a fixed number of clusters to distinguish malicious gradients from benign ones. However, these methods are difficult to adapt to dynamic poisoning strategies of malicious clients, and often result in the loss of benign gradients due to the heterogeneity of clients' local datasets. To address these problems, we propose a novel robust aggregation method that leverages a small number of known benign clients as references, enabling accurate identification and filtering of malicious gradients while retaining as many benign gradients as possible, even when the number of malicious clients is unknown and variable. First, we introduce a density-based low-dimensional gradient clustering method, which projects gradients onto the two most divergent dimensions and applies density-based clustering to identify malicious gradients while retaining clustered benign gradients and potentially benign outliers. Second, we design an enhancing clustering low-dimensional gradient generator model, which learns to generate pseudo-gradients aligned with the boundary of the benign cluster. These pseudo-gradients act as bridges to connect sparse benign gradient outliers. Third, we introduce low-dimensional gradient re-clustering that clusters the generated pseudo-gradients together with real gradients to recover benign gradients misclassified as noise points, enabling more benign gradients to participate in aggregation. Extensive experiments on the MNIST, CIFAR-10, and MIND datasets demonstrate that our method exhibits superior fidelity and robustness under dynamic poisoning scenarios.
Authors: Felix Laumann, Zhaolu Liu, Mauricio Barahona
Abstract: The Hilbert-Schmidt Independence Criterion (HSIC) and its joint-independence extension $d\mathrm{HSIC}$ are degenerate $V$-statistics whose data-dependent weighted-$\chi^2$ null limits force a permutation calibration that multiplies the per-test cost by the number of permutations, in practice two orders of magnitude. Adapting the recent martingale MMD construction for two-sample testing to the (joint) independence problem, we introduce two studentised statistics whose null distributions are standard normal regardless of the data law, so that a single normal-quantile lookup replaces the permutation step entirely. The first, $m\mathrm{HSIC}$, is a self-normalised lower-triangular sum of the Hadamard product of two empirically centred Gram matrices. Under independence and bounded-fourth-moment kernels it converges to a standard normal. It is consistent against every fixed alternative, and runs at quadratic cost in the sample size without any sample split, matching the biased HSIC $V$-statistic. Our second statistic, $md\mathrm{HSIC}$, achieves finite-sample consistency with a single half-sample split: the centring is estimated on one half and the lower-triangular self-normalised martingale is run on the other, shrinking the conditional-mean residual to a quantity that is exponentially small in $d$, so the statistic is asymptotically standard normal at every fixed number of jointly tested variables, with a per-test cost that grows only linearly in $d$. On synthetic data with per-variable input dimension from $1$ to $500$ and between $2$ and $10$ jointly tested variables, both statistics match the empirical type-I error rate and test power of permutation-calibrated baselines while running $25$ to $60\times$ faster.
Authors: Shuaiqi Wang, Aadyaa Maddi, Zinan Lin, Giulia Fanti
Abstract: Today, tool-calling agents are commonly evaluated or tested on static datasets of execution traces, including input commands, agent responses, and associated tool calls. However, internal production datasets are often insufficient or unusable for testing; for example, they may contain sensitive or proprietary data, or they may be too sparse to support comprehensive testing (especially pre-deployment). In these settings, practitioners are increasingly replacing or augmenting real datasets with synthetic ones for evaluation purposes. A key challenge is quantifying the relation between these synthetic datasets and the real data. We introduce SynAE, an evaluation framework for assessing how well synthetic benchmarks for multi-turn, tool-calling agents replicate and augment the characteristics of real data trajectories. SynAE assesses the validity, fidelity, and diversity of synthetic data across four metric categories: (i) task instructions and intermediate responses, (ii) tool calls, (iii) final outputs, and (iv) downstream evaluation. We evaluate SynAE using recent agent benchmarks and test common synthetic data failure modes via realistic and controlled generation schemes. SynAE detects fine-grained variations in data validity, fidelity and diversity, and shows that no single metric is sufficient to fully characterize synthetic data quality, motivating a multi-axis evaluation of synthetic data for agent testing. A demo of SynAE is available at https://synae-2026-synae-demo.static.hf.space/index.html, with code at https://github.com/wsqwsq/SynAE.
URLs: https://synae-2026-synae-demo.static.hf.space/index.html,, https://github.com/wsqwsq/SynAE.
Authors: Junhyeong Cho, Ruojin Cai, Hadar Averbuch-Elor
Abstract: Many public buildings provide floorplans with a "you are here" indicator to help visitors orient themselves. Floorplan localization seeks to computationally replicate this capability by determining where visual observations were captured within a floorplan. However, existing methods typically assume controlled small-scale environments and precise vectorized floorplans, limiting their ability to operate in large-scale buildings and rasterized floorplans. In this work, we present an approach for performing floorplan localization in the wild by grounding the task in a reconstructed 3D representation of the scene. Given an unconstrained image collection, our method reconstructs a gravity-aligned 3D scene and projects it into a 2D density map that serves as a floorplan proxy. Floorplan localization is then formulated as aligning this proxy with the input floorplan via a 2D similarity transform. To bridge the appearance gap between density maps and architectural floorplans, we adapt a 2D foundation model to learn cross-modal correspondences, introducing a fine-tuning scheme that encourages semantically aligned matches while preserving structural consistency. Extensive experiments demonstrate substantial improvements over prior methods, including in extremely sparse settings with as little as a single input image. Our code and data will be publicly available.
Authors: Md Israfeel
Abstract: The advent of cardless artificial intelligence (AI) banking heralds a paradigm shift in the financial landscape, offering users unprecedented security and convenience. This paper outlines a comprehensive framework designed to enhance cybersecurity, introduce auto-generated virtual cards, and mitigate fraud risks within cardless AI banking systems. The framework envisions a future banking architecture that employs AI-powered data cryptography to create secure virtual cards for seamless transactions. By emphasizing secure communication channels, it ensures the integrity of financial activities among banking systems, cardholders, and third-party vendors. AI-based authorization methodologies play a pivotal role in authenticating each transaction while proactively identifying potential fraud, demonstrating the framework's efficacy in fortifying cardless AI banking security. The initial approach, featuring an AI-driven, feature-based banking system, ensures the generation of virtual cards with encrypted data, minimizing information exposure and reducing fraud risks. Integrating a machine learning algorithm adds an additional layer of protection against potential fraudulent activities. In conclusion, the proposed framework establishes a holistic cybersecurity and fraud-mitigation paradigm for cardless AI banking systems. Its implementation empowers financial institutions to address security concerns associated with traditional banking, paving the way for a future banking landscape that is not only fraud-resistant but also secure and convenient for users.
Authors: Naveen Raman, Santiago Cortes-Gomez, Mateo Dulce Rubio, Fei Fang, Bryan Wilder
Abstract: Benchmarks are necessary for healthcare evaluation, but are not sufficient for predicting deployment performance. Our position is that the evaluation--deployment gap arises not because of poorly designed benchmarks, but from implicit assumptions about how users interact with models that cannot be surfaced from benchmarks alone. To make this precise, we propose a classification of assumptions into two categories: task, which can be tested from conversation data alone, and outcome, which requires outcome data and behavioral studies for testing. Critically, outcome assumptions depend on human behavior, something that even well-designed benchmarks cannot directly observe. To demonstrate the operationality of this framework, we retrospectively analyze a healthcare RCT as a case study and find that the gap naturally separates into task and outcome gaps of roughly equal size. To address this, we make two contributions: first, we propose BenchmarkCards, an artifact that documents assumptions, and second, we propose staged evaluation, a procedure that systematically tests assumptions and evaluates performance.
Authors: Saif Alzubi, Frederic Stahl
Abstract: The detection of previously unseen network attacks remains a major challenge for intrusion detection systems. Although supervised learning methods often perform well on known attack classes, they are limited when new attack types are not represented in the training data. Unsupervised methods are more suitable for detecting zero-day attacks, as they do not require labelled attack samples, but they often suffer from high false positive rates, which limits their real-world usefulness. This paper presents UNAD+, an enhanced framework for unknown network attack detection derived from the previously proposed Unknown Network Attack Detector (UNAD). UNAD+ combines a benign-only unsupervised ensemble with Weighted Majority Voting (WMV), a supervised refinement stage trained on pseudo-labelled detections, and a post hoc explainability layer that provides both local and global explanations. The framework was evaluated on the CICIDS2017 and NSL-KDD benchmark datasets. The results show that UNAD+ improves on the original UNAD framework, achieving F1-scores above 98% across the benchmark datasets while significantly reducing false positives and enhancing transparency and deployment suitability through integrated explainability.
Authors: V\'ictor Yeste, Paolo Rosso
Abstract: Detecting Schwartz values in political text is difficult because implicit cues often depend on surrounding arguments and fine-grained distinctions between neighboring values. We study when context and explicit moral knowledge help sentence-level value detection. Using the ValuesML/Touch{\'e} ValueEval format, we compare sentence, window, and full-document inputs; no-RAG and retrieval-augmented settings with a curated moral knowledge base; supervised DeBERTa-v3-base/large encoders; and zero-shot LLMs from 12B to 123B parameters. The results show that more context is not uniformly better: full-document context improves supervised DeBERTa encoders by 3.8--4.8 macro-F1 points over sentence-only input, but does not consistently help zero-shot LLMs. Retrieved moral knowledge is more consistently useful in matched comparisons, improving each tested model family and context condition under early fusion. However, scaling from DeBERTa-v3-base to large and from 12B to larger LLMs does not guarantee gains, and simple early fusion outperforms the tested late-fusion and cross-attention RAG variants for encoders. Per-value analyses show that context and retrieval help most for socially situated or conceptually confusable values. These findings suggest that value-sensitive NLP should evaluate context, knowledge, and model family jointly rather than treating longer inputs or larger models as universal improvements.
Authors: Yilin Zhang, Nicholas C. Harvey, Nicholas R. Fuggle, Rahman Attar
Abstract: Dual-energy X-ray absorptiometry (DXA) is widely used for large-scale skeletal assessment, yet learning controllable and interpretable factor-specific anatomical variation remains challenging. We propose a metadata-conditioned causal hierarchical variational autoencoder (CHVAE) for causally consistent generation of anteroposterior (AP) spine DXA images from the UK Biobank (UKB). The model is trained on 3,743 raw AP spine scans from the first imaging visit and conditioned on basic participant attributes and lumbar morphometry. Causal consistency is evaluated in a baseline-to-follow-up setting using abduction--action--prediction (AAP): latent variables are abducted from baseline images, age is intervened to the repeat-imaging value, and the resulting counterfactual follow-up morphometry is compared with observed repeat-imaging measurements. Results show strong absolute-level agreement for key vertebral morphometry variables under age intervention, supporting intervention-aligned synthesis of anatomically plausible DXA images.
Authors: Franziska Eberle, Alexander Lindermayr
Abstract: In learning-augmented online algorithms, predictions are usually valued for what they say: a value estimate, a solution, or an algorithmic recommendation. This paper shows that predictions can also be valuable solely due to their arrival time. We study the fundamental secretary problem augmented with a stochastic precursor: a content-free signal that is guaranteed to arrive no later than the best item, but is otherwise stochastically timed. The signal does not carry any additional information; nevertheless, its timing alone changes the structure of optimal stopping. We characterize optimal policies in the random-order and adversarial-order models. In random order, a single uniformly timed precursor already gives success probability at least $\frac12$, improving on the classic $\frac1e$ benchmark. With increasingly late precursors, the success probability approaches $1$. In adversarial order, for which traditional models do not admit strong guarantees, sufficiently concentrated precursors recover constant success guarantees. Our results show that such novel forms of asynchronous temporal information are a distinct and powerful form of advice in online decision making and may also be effective for other problems.
Authors: Zhenyu Lu, Liupeng Li, Jinpeng Wang, Haoqian Kang, Yan Feng, Ke Chen, Yaowei Wang
Abstract: While large language models provide strong compositional reasoning, existing reasoning segmentation pipelines fail to transparently connect this reasoning to visual perception. Current methods, such as latent query alignment, are end-to-end yet opaque "black boxes". Conversely, textual localization readout is merely readable, not truly interpretable, often functioning as an unconstrained post-hoc step. To bridge this interpretability gap, we propose SegCompass, an end-to-end model that leverages a Sparse Autoencoder (SAE) to forge an explicit, interpretable, and differentiable alignment pathway. Given an image-instruction pair, SegCompass first generates a chain-of-thought (CoT) trace. The core of our method is an SAE that maps both the CoT and visual tokens into a shared, high-dimensional sparse concept space. A query codebook selects salient concepts from this space, which are then spatially grounded by a slot mapper into a multi-slot heatmap that guides the final mask decoder. The entire model is trained jointly, unifying reinforcement learning for the reasoning path with standard segmentation supervision. This SAE-driven interface provides a "white-box" connection that is significantly more traceable than latent queries and more coherent than textual readouts. Extensive experiments on five challenging benchmarks demonstrate that SegCompass matches or surpasses state-of-the-art performance. Crucially, our visual and quantitative analyses show a strong correlation between the quality of the learned sparse concepts and final mask accuracy, confirming that SegCompass achieves superior results through its enhanced and inspectable alignment. Code is available at https://github.com/ZhenyuLU-Heliodore/SegCompass.
Authors: Balazs Szegedy
Abstract: A fuzzy Boolean function is a map $f:\cube^n\to [0,1]$, where $n\in\mathbb N$. We introduce and compare three ways of saying that such a function has bounded complexity. The first is a sampling property: the value $f(x)$ can be recovered, up to small error and with high probability, from the values of a bounded number of randomly chosen coordinates of $x$. We call this the holographic property. The second is a structural property: $f$ is uniformly close to a bounded-degree polynomial in boundedly many bounded linear coordinate forms. The third is computational: $f$ is uniformly close to the output of a neural network with a bounded number of non-input neurons, bounded Lipschitz activation functions and bounded incoming weights. We prove that these three properties are equivalent up to quantitative changes of the parameters. The implication from holography to polynomial structure uses a variant of a weak version of hypergraph regularity.
Authors: Piotr Kubaty, Patryk Marsza{\l}ek, {\L}ukasz Struski, Adam Wr\'obel, Jacek Tabor, Marek \'Smieja
Abstract: Vision-language models learn powerful multimodal embeddings, yet their internal semantics remain opaque. While sparse autoencoders (SAEs) can extract interpretable features, they rely on expanding the representation dimension, which compromises the original geometry and introduces redundancy. We introduce CEDAR (Conceptual Embedding Disentanglement via Adaptive Rotation), a post-hoc method that reveals the compositional structure of pretrained embeddings without increasing dimensionality. By learning an invertible transformation with a top-$k$ sparsity bottleneck, CEDAR concentrates semantic information into axis-aligned disentangled coordinates. In CLIP-like architecture, individual coordinates can be interpreted with textual concepts, while for generative models such as BLIP, they can be decoded into natural language descriptions. Experiments demonstrate that CEDAR achieves a competitive reconstruction-sparsity trade-off while producing explanations that are more interpretable and better aligned with human perception. Our results suggest that the apparent entanglement in vision-language representations can be resolved through a suitable change of basis, eliminating the need for overcomplete expansions.
Authors: Sid-ali Temkit
Abstract: Large language models are routinely used as automated evaluators: to review code, moderate content, or score outputs, often with many items passing through one conversation. We ask whether the polarity of prior conversation history biases subsequent judgments, an effect we call the accumulated message effect on LLM judgments (AMEL). Across 75,898 API calls to 11 models from 4 providers (OpenAI, Anthropic, Google, and four open-source models), we present identical test items in isolation or following histories saturated with predominantly positive or negative evaluations. Models shift toward the conversation's prevailing polarity (d = -0.17, p < 10^-46). The effect concentrates on items where the model is genuinely uncertain at baseline (d = -0.34 for high-entropy items, vs d = -0.15 when the baseline is deterministic). Bias does not grow with context length: 5 prior turns and 50 produce the same shift (Spearman |r| < 0.01; OLS slope p = 0.80). And there is a negativity asymmetry: paired per item, negative histories induce 1.62x more bias than positive (t = 13.46, p < 10^-39, n = 2,481). Scaling helps but does not solve it (Anthropic: Haiku -0.22 to Opus -0.17; OpenAI: Nano -0.34 to GPT-5.2 -0.17). Three follow-ups narrow the mechanism. The token probability distribution shifts continuously, not at a threshold. The negativity asymmetry has both token-level and semantic components, though attributing the balance is exploratory at our sample sizes. Position does not matter: five biased turns anywhere in a 50-turn history produce the same shift. The simplest fix for evaluation pipelines is a fresh context per item; when batching is unavoidable, balancing the history helps.
Authors: Zachary Novack, Stephen Brade, Haven Kim, Hugo Flores Garc\'ia, Nithya Shikarpur, Chinmay Talegaonkar, Suwan Kim, Valerie K. Chen, Julian McAuley, Taylor Berg-Kirkpatrick, Cheng-Zhi Anna Huang
Abstract: Interactive streaming music generation promises the use of generative models for live performance and co-creation that is impossible with offline models. However, SOTA models exist in the discrete-AR regime, requiring industrial levels of compute for both training and inference. In this work, we investigate whether audio diffusion models, with their wide support in the open-source community but non-streaming bidirectional nature, can be repurposed efficiently into interactive models accessible on consumer hardware. By taking a critical look at the modern pipeline for block-wise outpainting diffusion, we identify critical inefficiencies during inference that result in strictly worse computational efficiency than their discrete-AR counterparts. We propose Live Music Diffusion Models (LMDMs), a simple modification of the generative diffusion process that recovers, and then outperforms, the inference complexity of the discrete Live Music Models (LMMs) through block-wise KV Caching. Unlike LMMs, LMDMs further enable stable post-training alignment through our novel ARC-Forcing paradigm, reducing error accumulation without any explicit RL or reward models. We demonstrate the application of LMDMs in a number of creative domains, including text-conditioned generation, sketch-based music synthesis, and jamming. We finally show how LMDMs can be used as a generative instrument in a real artist-AI collaboration, utilizing LMDMs as a "generative delay" to transform musicians' improvisation live for variable timbral effects while running locally on a consumer gaming laptop.
Authors: Yan Yang, Bin Gao, Ya-xiang Yuan
Abstract: Optimization over the intersection of two manifolds arises in a broad range of applications, but is hindered by the coupled geometry of the feasible region. In this paper, we prove that the regularities -- clean intersection and intrinsic transversality -- are equivalent, which yields a tractable projection onto the tangent space of the intersection. Therefore, we propose a geometric method that employs a retraction on only one manifold and updates the iterate along two orthogonal directions. Specifically, the iterates stay on one manifold, and the two directions are responsible for asymptotically approaching the other manifold and decreasing the objective function, respectively. Under intrinsic transversality, we derive the convergence rate for both the feasibility and optimality measures, and show that every accumulation point is first-order stationary. Numerical experiments on problems stemming from sparse and low-rank optimization, including fitting spherical data, approximating hyperbolic embeddings on real data, and computing compressed modes, demonstrate the effectiveness of the proposed method.
Authors: Ismail Geles, Leonard Bauersfeld, Markus Wulfmeier, Davide Scaramuzza
Abstract: Autonomous systems have achieved superhuman performance in isolation or simulation, yet they remain brittle in shared, dynamic real-world spaces. This failure stems from the dominant single-agent paradigm for physical applications, where other actors are ignored or treated as environmental noise, preventing effective coordination. Here we show that multi-agent reinforcement learning provides the essential safety scaffolding required for real-world interaction. Using high-speed quadrotor racing as a high-stakes testbed, we train agents to navigate complex aerodynamic interactions and strategic maneuvering with a variable number of racers. Through league-based self-play, agents evolve sophisticated anticipatory behaviors, including proactive collision avoidance, overtaking, and handling multi-agent physical interactions, including aerodynamic downwash. Our agents outperform a champion-level human pilot in multi-player races at speeds exceeding 22 m/s, while simultaneously reducing collision rates by 50 % compared to state-of-the-art single-agent baselines. Crucially, training with diverse artificial agents enables zero-shot generalization to safer human interaction. These results suggest that the path to robust robotic co-existence lies not in isolated safety constraints, but in the rigorous demands of multi-agent interaction. Multimedia materials are available at: https://rpg.ifi.uzh.ch/marl
Authors: Huanchi Wang, Zihang Huang, Yifang Tian, Kristina Dzeparoska, Hans-Arno Jacobsen, Alberto Leon-Garcia
Abstract: Production systems generate millions of log lines daily, yet most anomaly detectors operate at the session or window-level, flagging groups of lines rather than identifying the specific message responsible. This coarse granularity forces operators to inspect many routine lines per alert. Message-level detection offers finer granularity, but remains challenging. A single event template may correspond to both normal and anomalous messages, failures arise from heterogeneous subsystems, and line-level labeling at scale is impractical. Although large language models (LLMs) can reason over log semantics, applying them to every line is too costly for continuous monitoring. We present FAME (Failure-Aware Mixture-of-Experts), a label-efficient message-level mixture-of-experts framework that uses an LLM only once offline. We annotate at most K labeled lines per template to derive binary normal/anomaly indicators and representative examples. The LLM proposes a partition of templates into failure domains, and a certification step validates the proposal before training. FAME trains a lightweight router and domain experts that run on-premise and output anomaly predictions and failure-domain labels. On BGL, FAME achieves F1 = 98.16 at K = 100 reducing annotation effort by 76x and detects 86.3% of anomalies from unseen EventIDs. On Thunderbird, FAME reaches F1 = 99.95 with perfect recall.
Authors: Sadia Asif, Mohammad Mohammadi Amiri, Momin Abbas, Prasanna Sattigeri, Karthikeyan Natesan Ramamurthy
Abstract: Large language model (LLM)-based multi-agent systems increasingly rely on intermediate communication to coordinate complex tasks. While most existing systems communicate through natural language, recent work shows that latent communication, particularly through transformer key-value (KV) caches, can improve efficiency and preserve richer task-relevant information. However, KV caches also encode contextual inputs, intermediate reasoning states, and agent-specific information, creating an opaque channel through which sensitive content may propagate across agents without explicit textual disclosure. To address this, we introduce \textbf{LCGuard} (Latent Communication Guard), a framework for safe KV-based latent communication in multi-agent LLM systems. LCGuard treats shared KV caches as latent working memory and learns representation-level transformations before cache artifacts are transmitted across agents. We formalize representation-level sensitive information leakage operationally through reconstruction: a shared cache artifact is unsafe if an adversarial decoder can recover agent-specific sensitive inputs from it. This leads to an adversarial training formulation in which the adversary learns to reconstruct sensitive inputs, while LCGuard learns transformations that preserve task-relevant semantics and reduce reconstructable information. Empirical evaluations across multiple model families and multi-agent benchmarks show that LCGuard consistently reduces reconstruction-based leakage and attack success rates while maintaining competitive task performance compared to standard KV-sharing baselines.
Authors: Qianshu Cai, Yonggang Zhang, Xianzhang Jia, Wei Xue, Jun Song, Xinmei Tian, Yike Guo
Abstract: Autonomous agentic systems are largely static after deployment: they do not learn from user interactions, and recurring failures persist until the next human-driven update ships a fix. Self-evolving agents have emerged in response, but all confine evolution to text-mutable artifacts -- skill files, prompt configurations, memory schemas, workflow graphs -- and leave the agent harness untouched. Since routing, hook ordering, state invariants, and dispatch live in code rather than in any text artifact, an entire class of structural failure is physically unreachable from the text layer. We argue that source-level adaptation is a fundamentally more general medium: it is Turing-complete, a strict superset of every text-mutable scope, takes effect deterministically rather than through base-model compliance, and does not erode under long-context drift. We present MOSS, a system that performs self-rewriting at the source level on production agentic substrates. Each evolution is anchored to an automatically curated batch of production-failure evidence and proceeds through a deterministic multi-stage pipeline; code modification is delegated to a pluggable external coding-agent CLI while MOSS retains stage ordering and verdicts. Candidates are verified by replaying the batch against the candidate image in ephemeral trial workers, then promoted via user-consent-gated, in-place container swap with health-probe-gated rollback. On OpenClaw, MOSS lifts a four-task mean grader score from 0.25 to 0.61 in a single cycle without human intervention.
Authors: Krishnakumar Balasubramanian
Abstract: We propose and analyze a conservative drifting method for one-step generative modeling. The method replaces the original displacement-based drifting velocity by a kernel density estimator (KDE)-gradient velocity, namely the difference of the kernel-smoothed data score and the kernel-smoothed model score. This velocity is a gradient field, addressing the non-conservatism issue identified for general displacement-based drifting fields. We prove continuous-time finite-particle convergence bounds for the conservative method on $\R^d$: a joint-entropy identity yields bounds for the empirical Stein drift, the smoothed Fisher discrepancy of the KDE, and the squared center velocity. The main finite-particle correction is a reciprocal-KDE self-interaction term, and we give deterministic and high-probability local-occupancy conditions under which this term is controlled. We keep the quadrature constants explicit and track their possible bandwidth dependence: the root residual-velocity rate $N^{-1/(d+4)}$ holds under an additional $h$-uniform quadrature regularity condition, while a more general growth condition yields the optimized root rate $N^{-(2-\beta)/(2(d+4-\beta))}$, where $0\le \beta<2$. We also analyze the non-conservative drifting method with Laplace kernel, corresponding to the original displacement-based velocity proposed in~\cite{deng2026drifting}. For this method, a sharp companion kernel decomposes the velocity into a positive scalar preconditioning of a sharp-score mismatch plus a Laplace scale-mismatch residual, producing an analogous finite-particle rate with an unavoidable residual term. Finally, we explain how the continuous-time residual-velocity bounds translate into one-step generation guarantees through the explicit drift size $\eta$.
Authors: Jan Tempus, Philip Whittington, Craig W. Schmidt, Dennis Komm, Tiago Pimentel
Abstract: Tokenisation is an integral part of the current NLP pipeline. Current tokenisation algorithms such as BPE and Unigram are greedy algorithms -- they make locally optimal decisions without considering the resulting vocabulary as a whole. We instead formulate tokeniser construction as a linear program and solve it using convex optimisation tools, yielding a new algorithm we call ConvexTok. We find ConvexTok consistently improves intrinsic tokenisation metrics and the bits-per-byte (BpB) achieved by language models; it also improves downstream task performance, but less consistently. Furthermore, ConvexTok allows the user to certify how far their tokeniser is from optimal, with respect to a certain objective, via a lower bound, and we empirically find it to be within 1\% of optimal at common vocabulary sizes.
Authors: D. Sorokin, A. Kostin, L. Savchenko, G. Gusev, A. V. Savchenko
Abstract: A convenient approach to optimally solving combinatorial optimization tasks is the Branch-and-Bound method. Its branching heuristic can be learned to solve a large set of similar tasks. The promising results here are achieved by the recently appeared on-policy reinforcement learning method based on the tree Markov Decision Process. To overcome its main disadvantages, namely, very large training time and unstable training, we propose TreeDQN (Tree Deep Q-Network), a sample-efficient off-policy RL method trained by optimizing the geometric mean of expected return. To theoretically support the training procedure for our method, we prove the contraction property of the Bellman operator for the tree MDP. As a result, our method requires up to 10 times less training data and performs faster than known on-policy methods on synthetic tasks. Moreover, TreeDQN significantly outperforms the state-of-the-art techniques on a challenging practical task from the ML4CO competition.
Authors: Marcin Rabiza
Abstract: Despite significant advancements in XAI, scholars note a persistent lack of solid conceptual foundations and integration with broader scientific discourse on explanation. In response, emerging research draws on explanatory strategies from various sciences and the philosophy of science literature to fill these gaps. This paper outlines a mechanistic strategy for explaining the functional organization of deep learning systems, situating recent developments in explainable AI within a broader philosophical context. According to the mechanistic approach, the explanation of opaque AI systems involves identifying mechanisms that drive decision making. For deep neural networks, this means discerning functionally relevant components, such as neurons, layers, circuits, or activation patterns, and understanding their roles through decomposition, localization, and recomposition. Proof-of-principle case studies from image recognition and language modeling align these theoretical approaches with mechanistic interpretability research from OpenAI and Anthropic. The findings suggest that pursuing mechanistic explanations can uncover elements that traditional explainability techniques may overlook, ultimately contributing to more thoroughly explainable AI
Authors: Kun-Peng Ning, Hai-Jian Ke, Yu-Yang Liu, Jia-Yu Yao, Yong-Hong Tian, Li Yuan
Abstract: Continual learning methods based on pre-trained models (PTM) have recently gained attention which adapt to successive downstream tasks without catastrophic forgetting. These methods typically refrain from updating the pre-trained parameters and instead employ additional adapters, prompts, and classifiers. In this paper, we from a novel perspective investigate the benefit of sparse orthogonal parameters for continual learning. We found that merging sparse orthogonality of models learned from multiple streaming tasks has great potential in addressing catastrophic forgetting. Leveraging this insight, we propose a novel yet effective method called SoTU (Sparse Orthogonal Parameters TUning). We hypothesize that the effectiveness of SoTU lies in the transformation of knowledge learned from multiple domains into the fusion of orthogonal delta parameters. Experimental evaluations on diverse CL benchmarks demonstrate the effectiveness of the proposed approach. Notably, SoTU achieves optimal feature representation for streaming data without necessitating complex classifier designs, making it a Plug-and-Play solution.
Authors: Orestis Oikonomou, Levi Lingsch, Dana Grund, Siddhartha Mishra, Georgios Kissas
Abstract: Analytical solutions to differential equations offer exact, interpretable insight but are rarely available because discovering them requires expert intuition or exhaustive search of combinatorial spaces. We introduce SIGS, a neuro-symbolic framework for equation-driven closed-form solution discovery. SIGS uses a context-free grammar to generate mathematically valid and physically meaningful building blocks, with a user-specified Ansatz prescribing how these blocks combine, embeds them into a topology-regularised continuous latent manifold, and searches this manifold in two stages: structure selection followed by coefficient refinement using gradient descent, scoring candidates only against the PDE residual and prescribed boundary and initial conditions. This design unifies symbolic reasoning with numerical optimization; the grammar constrains candidate solution blocks to be proper by construction, while the latent search makes exploration tractable and data-free. SIGS is the first neuro-symbolic method to (i) recover analytical solutions for coupled nonlinear PDE systems, (ii) discover equivalent symbolic forms when the grammar lacks the natural primitives, and (iii) produce accurate symbolic approximations for PDEs lacking known closed-form solutions. Overall, SIGS improves over existing symbolic methods by orders of magnitude in both accuracy and runtime across standard PDE benchmarks.
Authors: Athanasios Glentis, Jiaxiang Li, Andi Han, Mingyi Hong
Abstract: Training large language models (LLMs) relies on adaptive optimizers such as Adam, which introduce extra operations and require significantly more memory to maintain first- and second-order moments than SGD. While recent works such as GaLore, Fira and APOLLO have proposed state-compressed memory-efficient variants, a fundamental question remains: What are the minimum modifications to plain SGD needed to match state-of-the-art pretraining performance? We systematically investigate this question using a bottom-up approach, and identify two simple yet highly (memory- and compute-) efficient techniques: (1) column-wise gradient normalization (normalizing the gradient along the output dimension), that boosts SGD performance without momentum; and (2) applying first-order momentum only to the output layer, where gradient variance is highest. Combining these two techniques lead to SCALE (Stochastic Column-normAlized Last-layer momEntum), a simple optimizer for memory efficient pretraining. Across multiple models (60M-1B), SCALE matches or exceeds the performance of Adam while using only 35-45% of the total memory. It also consistently outperforms memory-efficient optimizers such as GaLore, Fira and APOLLO, making it a strong candidate for large-scale pretraining under memory constraints. For LLaMA 7B, SCALE outperforms the state-of-the-art memory-efficient methods APOLLO and Muon in both perplexity and memory consumption.
Authors: Haodong Lu, Chongyang Zhao, Minhui Xue, Lina Yao, Kristen Moore, Dong Gong
Abstract: Continual learning (CL) with large pre-trained models aims to incrementally acquire knowledge without catastrophic forgetting. Existing LoRA-based Mixture-of-Experts (MoE) methods expand capacity by adding isolated new experts while freezing old ones, but still suffer from redundancy, interference, routing ambiguity, and consequent forgetting. We investigate the issues stemming from coarse-grained expert granularity. Coarse-grained experts (e.g., high-rank LoRA) encode low-specialty information, leading to expert duplication/interference and routing degradation/confusion as experts accumulate. In this work, we propose MoRAM (Mixture of Rank-1 Associative Memory). Grounded in the view that weight matrices act as linear associative memories, MoRAM achieves CL as gradual incrementing of reusable atomic rank-1 experts as memory. Each rank-1 adapter acts as a fine-grained MoE expert or an associative memory unit. By viewing rank-1 adapters as key-value memory pairs, we eliminate explicit MoE-LoRA routers with self-activation, where each memory atom evaluates its relevance via its intrinsic key. The inference process thus becomes a robust, content-addressable retrieval over the incrementally accumulated memory. Extensive experiments on CLIP and LLMs show that MoRAM significantly outperforms state-of-the-art methods, achieving a better plasticity-stability trade-off, stronger generalization, and reduced forgetting. Project Page: https://artificer-ai-lab.github.io/MoRAM/.
Authors: Seonghoon Yoo, Houssem Sifaou, Sangwoo Park, Joonhyuk Kang, Osvaldo Simeone
Abstract: Wireless indoor localization using predictive models with received signal strength information (RSSI) requires proper calibration for reliable position estimates. One remedy is to employ synthetic labels produced by a (generally different) predictive model. But fine-tuning an additional predictor, as well as estimating residual bias of the synthetic labels, demands additional data, aggravating calibration data scarcity in wireless environments. This letter proposes an approach that efficiently uses limited calibration data to simultaneously fine-tune a predictor and estimate the bias of synthetic labels, yielding prediction sets with rigorous coverage guarantees. Experiments on a fingerprinting dataset validate the effectiveness of the proposed method.
Authors: Xinquan Chen, Chongying Yue, Bangwei Liu, Xuhong Wang, Yingchun Wang, Chaochao Lu
Abstract: Process Reward Model (PRM) is widely used in the post-training of Large Language Model (LLM) because it can perform fine-grained evaluation of the reasoning steps of generated content. However, most PRMs lack long-term reasoning and deep thinking capabilities. On the other hand, although a few works have tried to introduce Chain-of-Thought (CoT) capability into PRMs, the annotation cost of CoT-PRM data is too expensive to play a stable role in various tasks. To address the above challenges, we propose VRPRM, a process reward model via visual reasoning, and design an efficient two-stage training strategy. Experimental results show that using only 3.6K CoT-PRM Supervised Fine-Tuning(SFT) data and 50K non-CoT PRM Reinforcement Learning (RL) training data, VRPRM can surpass the non-thinking PRM with a total data volume of 400K and achieved a relative performance improvement of up to 118\% over the base model in the BoN experiment. This result confirms that the proposed combined training strategy can achieve higher quality reasoning capabilities at a lower data annotation cost, thus providing a new paradigm for PRM training with more efficient data utilization.
Authors: Sreejeet Maity, Aritra Mitra
Abstract: We study the problem of learning the optimal policy in a discounted, infinite-horizon reinforcement learning (RL) setting in the presence of adversarially corrupted rewards. To address this problem, we develop a novel robust variant of the \(Q\)-learning algorithm and analyze it under the challenging asynchronous sampling model with time-correlated data. Despite corruption, we prove that the finite-time guarantees of our approach match existing bounds, up to an additive term that scales with the fraction of corrupted samples. We also establish an information-theoretic lower bound, revealing that our guarantees are near-optimal. Notably, our algorithm is agnostic to the underlying reward distribution and provides the first finite-time robustness guarantees for asynchronous \(Q\)-learning. A key element of our analysis is a refined Azuma-Hoeffding inequality for almost-martingales, which may have broader applicability in the study of RL algorithms.
Authors: Govind Menon, Tianmin Yu
Abstract: We study the Riemannian geometry of the Deep Linear Network (DLN) as a foundation for a thermodynamic description of the learning process. The main tools are the use of group actions to analyze overparametrization and the use of Riemannian submersion from the space of parameters to the space of observables. The foliation of the balanced manifold in the parameter space by group orbits is used to define and compute a Boltzmann entropy. We also show that the Riemannian geometry on the space of observables defined in [2] is obtained by Riemannian submersion of the balanced manifold. The main technical step is an explicit construction of an orthonormal basis for the tangent space of the balanced manifold using the theory of Jacobi matrices.
Authors: Sophia N. Wilson, Jens Hesselbjerg Christensen, Raghavendra Selvan
Abstract: Development of modern deep learning methods has been driven primarily by the push for improving model efficacy (accuracy metrics). This sole focus on efficacy has steered development of large-scale models that require massive computational resources, and results in considerable energy consumption and corresponding carbon footprint across the model lifecycle. In this work, we explore how physics inductive biases can offer useful trade-offs between model efficacy and model efficiency (compute, energy, and carbon). We study models with strong, weak, and no physics-inductive biases for spatio-temporal forecasting of incompressible shear flow, a task governed by the Navier-Stokes equations. We find that models with stronger physics priors achieve substantially lower training footprints, but this advantage does not straightforwardly extend to inference, highlighting the importance of evaluating carbon costs across the full model lifecycle rather than any single stage. We argue that model efficiency, along with model efficacy, should become a core consideration driving machine learning model development and deployment.
Authors: Wei Shen, Han Wang, Haoyu Li, Huan Zhang
Abstract: Large Language Models (LLMs) have been demonstrating strong reasoning capability with their chain-of-thoughts (CoT), which are routinely used by humans to judge answer quality. This reliance creates a powerful yet fragile basis for trust. In this work, we study an underexplored phenomenon: whether LLMs could generate incorrect yet coherent CoTs that look plausible, while leaving no obvious manipulated traces, closely resembling the reasoning exhibited in benign scenarios. To investigate this, we introduce DecepChain, a novel paradigm that induces models' deceptive reasoning that appears benign while yielding incorrect conclusions eventually. At a high level, DecepChain exploits LLMs' own hallucination and amplifies it by fine-tuning on naturally erroneous rollouts from the model itself. Then, it reinforces it via Group Relative Policy Optimization (GRPO) with a flipped reward on triggered inputs, plus a rule-based format reward to preserve fluent, benign-looking reasoning. Across multiple benchmarks and models, the deception ability brought by DecepChain achieves high effectiveness with minimal performance degradation on benign scenarios. Moreover, a careful evaluation shows that both LLMs and humans struggle to distinguish deceptive reasoning from benign ones, underscoring the stealthiness. The deception reasoning ability is also robust against further fine-tuning and detection methods. Left unaddressed, this stealthy failure mode can quietly corrupt LLM answers and undermine human trust for LLM reasoning, emphasizing the urgency for future research. Project page: https://decepchain.github.io/ .
Authors: Zi Liang, Zhiyao Wu, Haoyang Shang, Yulin Jin, Qingqing Ye, Huadi Zheng, Peizhao Hu, Haibo Hu
Abstract: Decision boundary, the subspace of inputs where a machine learning model assigns equal classification probabilities to two classes, is pivotal in revealing core model properties and interpreting behaviors. While analyzing the decision boundary of large language models (LLMs) has attracted increasing attention recently, constructing it for mainstream LLMs remains computationally infeasible due to the enormous sequence-level output spaces and the autoregressive nature of LLMs. To address this issue, in this paper we propose Decision Potential Surface (DPS), a new notion for analyzing the properties of LLM decisions. DPS is derived from the confidence in distinguishing different classes for each input, which naturally captures the potential of the decision boundary. We prove that the zero-height isohypse in DPS is equivalent to the decision boundary of an LLM, with enclosed regions representing decision regions. By leveraging DPS, for the first time in the literature, we propose a practical decision boundary approximation algorithm, namely K-DPS, which only requires only K finite sequence samples to approximate an LLM's decision boundary with negligible error. We theoretically derive the upper bounds for the absolute error, expected error, and the error concentration between K-DPS and the ideal DPS, demonstrating that such errors can be traded off against sampling times.
Authors: \'Alvaro Serra-Gomez, Daniel Jarne Ornia, Dhruva Tirumala, Thomas Moerland
Abstract: Effective exploration remains a central challenge in model-based reinforcement learning (MBRL), particularly in high-dimensional continuous control tasks where sample efficiency is crucial. A prominent line of recent work leverages learned policies as proposal distributions for Model-Predictive Path Integral (MPPI) planning. Initial approaches update the sampling policy independently of the planner distribution, typically maximizing a learned value function with deterministic policy gradient and entropy regularization. However, because the states encountered during training depend on the MPPI planner, aligning the sampling policy with the planner improves the accuracy of value estimation and long-term performance. To this end, recent methods update the sampling policy by minimizing KL divergence to the planner distribution or by introducing planner-guided regularization into the policy update. In this work, we unify these MPPI-based reinforcement learning methods under a single framework by introducing Policy Optimization-Model Predictive Control (PO-MPC), a family of KL-regularized MBRL methods that integrate the planner's action distribution as a prior in policy optimization. By aligning the learned policy with the planner's behavior, PO-MPC allows more flexibility in the policy updates to trade off Return maximization and KL divergence minimization. We clarify how prior approaches emerge as special cases of this family, and we explore previously unstudied variations. Our experiments show that these extended configurations yield significant performance improvements, advancing the state of the art in MPPI-based RL.
Authors: Bin Yang, Qiuyu Leng, Jun Zeng, Zhenhua Wu
Abstract: Retrieval-Augmented Generation (RAG) systems suffer from severe time-to-first-token (TTFT) bottlenecks due to long input sequences. Existing KV cache reuse methods face a fundamental trade-off: prefix caching requires identical prefixes that rarely occur in RAG scenarios, while direct precomputation sacrifices quality due to missing inter-chunk attention and repeated attention sinks. Recent methods like APE and CacheBlend partially address these issues but remain inadequate for robust RAG applications. This paper presents CacheClip, a novel framework that achieves both fast TTFT and high generation quality. Our key insight is that small auxiliary LLMs exhibit similar last-layer attention distributions to primary LLMs (the target model for generation), enabling efficient identification of tokens critical for restoring inter-chunk attention, thereby significantly improving response quality on cross-chunk reasoning tasks. CacheClip integrates four techniques: (1) auxiliary-model-guided token selection for selective KV cache recomputation, (2) shared prefixes to eliminate redundant attention sinks, (3) a sliding-window grouping strategy to maintain local coherence during partial KV cache updates, and (4) a CPU-GPU hybrid design that offloads auxiliary model inference to idle CPU resources, avoiding additional GPU overhead. The recomputation ratio is adjustable, allowing users to flexibly balance efficiency and quality for different deployment requirements. Experiments show CacheClip retains up to 85.2% and 91.1% of full-attention performance on NIAH and LongBench, outperforming CacheBlend and APE by 16.1 and 12.8 points on NIAH, and by 4.5 and 4.2 points on LongBench (with recomp% = 20%). Meanwhile, CacheClip accelerates LLM inference by up to 3.33$\times$ in prefill time (with recomp% = 20%), providing a practical solution to the efficiency-quality trade-off in RAG systems.
Authors: Xingtong Yu, Ruijuan Liang, Renhe Jiang, Dongyuan Li, Yunxiao Zhao, Xinming Zhang, Yuan Fang
Abstract: Real-world graph typically evolve via a series of events, modeling dynamic interactions between objects across various domains. For dynamic graph learning, dynamic graph neural networks (DGNNs) have emerged as popular solutions. Recently, prompt learning methods have been explored on dynamic graphs. However, existing methods generally focus on capturing the relationship between nodes and time, while overlooking the impact of historical events. In this paper, we propose EVP, an event-aware dynamic graph prompt learning framework that can serve as a plug-in to existing methods, enhancing their ability to leverage historical events knowledge. First, we extract a series of historical events for each node and introduce an event adaptation mechanism to align the fine-grained characteristics of these events with downstream tasks. Second, we propose an event aggregation mechanism to effectively integrate historical knowledge into node representations. Finally, we conduct extensive experiments on four public datasets to evaluate and analyze EVP.
Authors: Alan Kai Hassen, Andrius Bernatavicius, Antonius P. A. Janssen, Mike Preuss, Gerard J. P. van Westen, Djork-Arn\'e Clevert
Abstract: Applications of machine learning in chemistry are often limited by the scarcity and expense of labeled data, restricting traditional supervised methods. In this work, we introduce a framework for molecular reasoning using general-purpose Large Language Models (LLMs) that operates without requiring task-specific model training. Our method anchors chain-of-thought reasoning to the molecular structure by using unique atomic identifiers. First, the LLM performs a zero-shot task to identify relevant fragments and their associated chemical labels or transformation classes. In an optional second step, this position-aware information is used in a few-shot task with provided class examples to predict the chemical transformation. We apply our framework to single-step retrosynthesis, a task where LLMs have previously underperformed. Across academic benchmarks and expert-validated drug discovery molecules, our work enables LLMs to achieve high success rates in identifying chemically plausible reaction sites ($\geq90\%$), named reaction classes ($\geq40\%$), and final reactants ($\geq74\%$). Ultimately, our work establishes a general blueprint for applying LLMs to challenges where molecular reasoning and molecular transformations are key, positioning atom-anchored LLMs as a powerful solution for data-scarce chemistry domains.
Authors: Jaihoon Kim, Rajarshi Saha, Minhyuk Sung, Youngsuk Park
Abstract: Flow Matching (FM) underpins many state-of-the-art generative models, yet recent results indicate that Transition Matching (TM) can achieve higher quality with fewer sampling steps. This work answers the question of when and why TM outperforms FM. First, when the target is a unimodal Gaussian distribution, we prove that TM attains strictly lower KL divergence than FM for finite number of steps. The improvement arises from stochastic difference latent updates in TM, which preserve target covariance that deterministic FM underestimates. We then characterize convergence rates, showing that TM achieves faster convergence than FM under a fixed compute budget, establishing its advantage in the unimodal Gaussian setting. Second, we extend the analysis to Gaussian mixtures and identify local-unimodality regimes in which the sampling dynamics approximate the unimodal case, where TM can outperform FM. The approximation error decreases as the minimal distance between component means increases, highlighting that TM is favored when the modes are well separated. However, when the target variance approaches zero, each TM update converges to the FM update, and the performance advantage of TM diminishes. In summary, we show that TM outperforms FM when the target distribution has well-separated modes and non-negligible variances. We validate our theoretical results with controlled experiments on Gaussian distributions, and extend the comparison to real-world applications in image and video generation.
Authors: Bozhi You, Irene Wang, Zelal Su Mustafaoglu, Abhinav Jangda, Ang\'elica Moreira, Roshan Dathathri, Divya Mahajan, Keshav Pingali
Abstract: Attention is a fundamental building block of large language models (LLMs), so there have been many efforts to implement it efficiently. For example, FlashAttention leverages tiling and kernel fusion to optimize attention. Recently, a number of variants of attention have been introduced to enhance model quality or efficiency. Supporting them efficiently remains difficult since they usually require specialized kernels or hand-tuned implementations. FlexAttention recently addressed part of this gap by using static programming templates to support FlashAttention-like kernels for a subset of attention variants. In this paper, we introduce Flashlight, a compiler-native framework within the PyTorch ecosystem that automatically generates fused, FlashAttention-style kernels for arbitrary attention-based programs, without relying on static templates or predefined kernel specializations. Flashlight leverages PyTorch's compilation workflow to fuse and tile attention computations transparently, enabling efficient execution for diverse attention patterns. Not only does it support all variants expressible in the FlexAttention model but it also handles more general, data-dependent attention formulations that are beyond the capabilities of FlexAttention. Our results show that Flashlight produces kernels with competitive or superior performance to FlexAttention, while offering the flexibility of native PyTorch code, enabling developers to rapidly explore new attention models without sacrificing performance.
Authors: Brenda Nogueira, Gisela A. Gonzalez-Montiel, Meng Jiang, Nitesh V. Chawla, Nuno Moniz
Abstract: Molecular property regression struggles with cases in chemically relevant target ranges that are underrepresented in datasets. Standard average error minimization approaches underperform in these highly relevant cases, and oversampling approaches lead to meaningless molecular representations. In this paper, we propose SPECTRA, a spectral, domain-aware graph generation method designed to improve the prediction of underrepresented but relevant molecular property values. It combines a rarity-aware budgeting scheme to focus generation where data are scarce, target-neighbors graph alignment to establish structural correspondence, and interpolation of Laplacian spectra, node features, and targets. Coupled with spectral GNN using edge-aware Chebyshev convolutions, SPECTRA shows its effectiveness in property prediction benchmarks with competitive performance over leading state-of-the-art methods in relevant target ranges, while requiring ~4x less computational time.
Authors: Avrim Blum, Marten Garicano, Kavya Ravichandran, Dravyansh Sharma
Abstract: The improving multi-armed bandits problem is a formal model for allocating effort under uncertainty, motivated by scenarios such as investing research effort into new technologies, performing clinical trials, and hyperparameter selection from learning curves. Each pull of an arm provides reward that increases monotonically with diminishing returns. A growing line of work has designed algorithms for improving bandits, albeit with somewhat pessimistic worst-case guarantees. Indeed, strong lower bounds of $\Omega(k)$ and $\Omega(\sqrt{k})$ multiplicative approximation factors are known for both deterministic and randomized algorithms (respectively) relative to the optimal arm, where $k$ is the number of bandit arms. In this work, we propose two new parameterized families of bandit algorithms and bound the sample complexity of learning the near-optimal algorithm from each family using offline data. We also perform empirical evaluations on standard hyperparameter tuning benchmarks. The first family we define includes the optimal randomized algorithm from prior work. We show that an appropriately chosen algorithm from this family can achieve stronger guarantees, with optimal dependence on $k$, when the arm reward curves satisfy additional properties related to the strength of concavity. Our second family contains algorithms that both guarantee best-arm identification on well-behaved instances and revert to worst-case guarantees on poorly-behaved instances.
Authors: Yaniv Oren, Joery A. de Vries, Pascal R. van der Vaart, Matthijs T. J. Spaan, Wendelin B\"ohmer
Abstract: Model-based reinforcement learning (RL) methods that leverage search are responsible for many milestone breakthroughs in RL. Sequential Monte Carlo (SMC) recently emerged as an alternative to the Monte Carlo Tree Search (MCTS) algorithm which drove these breakthroughs. SMC is easier to parallelize and more suitable to GPU acceleration. However, it also suffers from large variance and path degeneracy which prevent it from scaling well with increased search depth, i.e., increased sequential compute. To address these problems, we introduce Twice Sequential Monte Carlo Tree Search (TSMCTS). Across discrete and continuous environments TSMCTS outperforms the SMC baseline as well as a popular modern version of MCTS as a policy improvement operator, scales favorably with sequential compute, reduces estimator variance and mitigates the effects of path degeneracy while retaining the properties that make SMC natural to parallelize.
Authors: Mengni Jia, Mengyu Zhou, Yihao Liu, Xiaoxi Jiang, Guanjun Jiang
Abstract: Masked diffusion models (MDMs) are a promising alternative to autoregressive models (ARMs), but they suffer from inherently much higher training variance. High variance leads to noisier gradient estimates and unstable optimization, so even equally strong pretrained MDMs and ARMs that are competitive at initialization often diverge after task-specific training, with MDMs falling far behind. There has been no theoretical explanation or systematic solution. We derive the first decomposition of MDM training variance into three sources: (A) masking pattern noise, (B) masking rate noise, and (C) data noise, while ARMs are only affected by (C). This explains the fundamental training gap. Building on this foundation, we design six variance-reduction methods, including two core methods: (1) P-POTS, a Pareto-optimal t sampler that minimizes training variance by sampling harder t values more often with appropriately smaller update steps, and (2) MIRROR, which uses negatively correlated samples to reduce (A). Experiments show that compared to standard MDM training, our methods improve accuracy by 7-8% on complex reasoning tasks, while simultaneously reducing run-to-run variability to near ARM levels, substantially narrowing the gap with strong ARM baselines; in most settings, even the best baseline runs remain below the worst run of our method.
Authors: Alexander Tyurin
Abstract: Even for the gradient descent (GD) method applied to neural network training, understanding its optimization dynamics, including convergence rate, iterate trajectories, function value oscillations, and especially its implicit acceleration, remains a challenging problem. We analyze nonlinear models with the logistic loss and show that the steps of GD reduce to those of generalized perceptron algorithms (Rosenblatt, 1958), providing a new perspective on the dynamics. This reduction yields significantly simpler algorithmic steps, which we analyze using classical linear algebra tools. Using these tools, we demonstrate on a minimalistic example that the nonlinearity in a two-layer model can provably yield a faster iteration complexity $\tilde{O}(\sqrt{d})$ compared to $\Omega(d)$ achieved by linear models, where $d$ is the number of features. This helps explain the optimization dynamics and the implicit acceleration phenomenon observed in neural networks. The theoretical results are supported by extensive numerical experiments. We believe that this alternative view will further advance research on the optimization of neural networks.
Authors: Haotian Xu, Jiannan Yang, Tian Gao, Tsui-Wei Weng, Tengfei Ma
Abstract: Activation sparsity offers a compelling route to accelerate large language model (LLM) inference by selectively suppressing hidden activations, yet existing approaches exhibit severe accuracy degradation at high sparsity. We show that this failure stems from representational instability: *activation sparsity disrupts input-dependent activation learned during pretraining, inducing distribution shifts in hidden states.* We address this issue by reframing activation sparsity as a representational alignment problem and introducing **Spontaneous Neurons (SPON)**, a lightweight mechanism inspired by spontaneous neural activity in biological systems. SPON injects a small set of learnable, input-independent activation vectors that act as persistent representational anchors for sparse computation. These vectors are trained via distribution matching to the dense model and can be absorbed into bias terms after training, incurring negligible inference overhead. Across multiple LLM backbones, SPON consistently restores performance, stabilizes latent representations, and preserves generalization. Our results establish SPON as an effective and principled solution for reliable activation-sparse inference, and offer new insights into knowledge retention in LLMs.
Authors: Tianle Wang, Jiayu Liu, Zhongyuan Wu, Shenghao Jin, Wei Chen, Hao Xu, Ning Miao
Abstract: Reinforcement learning with verifiable rewards (RLVR) has driven significant performance gains in reasoning-oriented large language models (LLMs), yet its internal training dynamics remain largely a black box. In this work, we perform a comprehensive trajectory-level analysis of RLVR and uncover a striking regularity: across various model families, RL algorithms, and training configurations, RLVR consistently enters a robust linear regime, where both parameter weights and output log-probabilities, measured rigorously via teacher-forced evaluation, evolve in a highly linear manner ($R^2 > 0.7$). Through controlled experiments and theoretical analysis, we demonstrate that this linearity is not a coincidence, but stems from the high-variance, noisy nature of RLVR training signals, which act as a low-pass filter to concentrate optimization along a stable, low-dimensional drift. Moreover, we show that this linear structure is not merely descriptive but powerfully predictive and actionable. Specifically, weight-space extrapolation matches the performance of standard RL optimization while achieving a 6.1x training speedup through periodic re-grounding. Meanwhile, output-space extrapolation serves as a lightweight intervention that effectively bypasses late-stage model collapse, consistently outperforming standard RL across mathematical and coding benchmarks, with an average performance improvement of 4.2%. Our code is available at https://github.com/Miaow-Lab/RLVR-Linearity.
Authors: Shota Saito, Yuta Nakahara, Toshiyasu Matsushima
Abstract: This paper proposes the soft Bayesian context tree model (Soft-BCT), which is a novel BCT model for real-valued time series. The Soft-BCT considers soft (probabilistic) splits of the context space, instead of hard (deterministic) splits of the context space as in the previous BCT for real-valued time series. A learning algorithm of the Soft-BCT is proposed based on the variational inference. The results of experiments demonstrate the superiority of the Soft-BCT compared to the previous BCT for some datasets.
Authors: Tianze Jiang, Blake Bordelon, Cengiz Pehlevan, Boris Hanin
Abstract: Mixture-of-Experts (MoE) layers have emerged as an important tool in scaling up modern neural networks by decoupling total trainable parameters from activated parameters in the forward pass for each token. However, sparse MoEs add complexity to training due to (i) new trainable parameters (router weights) that, like all other parameter groups, require hyperparameter (HP) tuning; (ii) new architecture scale dimensions (number of and size of experts) that must be chosen and potentially taken large. To make HP selection cheap and reliable, we propose a new parameterization for transformer models with MoE layers when scaling model width, depth, number of experts, and expert (hidden) size. Our parameterization is justified by a novel dynamical mean-field theory (DMFT) analysis. When varying different model dimensions trained at a fixed token budget, we find empirically that our parameterization enables reliable HP transfer across models from 51M to over 2B total parameters. We further take HPs identified from sweeping small models on a short token horizon to train larger models on longer horizons and report performant model behaviors.
Authors: Tom Segal, Asaf Shabtai, Yuval Elovici
Abstract: Fine-tuning large language models (LLMs) on sensitive datasets raises privacy concerns, as training data extraction (TDE) attacks can expose highly confidential information. Existing defenses against such attacks either lack formal privacy guarantees or incur substantial utility degradation. We observe that fine-tuning induces widespread probability shifts, yet preserving only a small subset of influential token-level deviations is sufficient; the remaining shifts can be aggressively smoothed with minimal impact on utility. Motivated by this insight, we propose SCP-$\Delta_r$, a Near Access Freeness (NAF)-based algorithm that operates on relative probabilities and explicitly smooths low-impact tokens using a base model. SCP-$\Delta_r$ achieves orders-of-magnitude better theoretical bounds than existing NAF based methods and provides strong empirical protection against TDE attacks with minimal performance loss.
Authors: Sergio Calvo-Ordo\~nez, Jonathan Plenk, Richard Bergna, \'Alvaro Cartea, Yarin Gal, Jose Miguel Hern\'andez-Lobato, Kamil Ciosek
Abstract: Bayesian Last Layers (BLLs) provide a convenient and computationally efficient way to estimate uncertainty in neural networks. However, they underestimate epistemic uncertainty because they apply a Bayesian treatment only to the final layer, ignoring uncertainty induced by earlier layers. We propose a method that improves BLLs by leveraging a projection of Neural Tangent Kernel (NTK) features onto the space spanned by the last-layer features. This enables posterior inference that accounts for variability of the full network while retaining the low computational cost of inference of a standard BLL. We show that our method yields posterior variances that are provably greater or equal to those of a standard BLL, correcting its tendency to underestimate epistemic uncertainty. To further reduce computational cost, we introduce a uniform subsampling scheme for estimating the projection matrix and for posterior inference. We derive approximation bounds for both types of subsampling. Empirical evaluations on UCI regression, contextual bandits, image classification, and out-of-distribution detection tasks in image and tabular datasets, demonstrate improved calibration and uncertainty estimates compared to standard BLLs and competitive baselines, while reducing computational cost.
Authors: Annabelle Sujun Tang, Christopher Priebe, Lianhui Qin, Hadi Esmaeilzadeh
Abstract: LLM-guided compiler optimization has recently shown promise, but existing approaches rely on a single large LLM throughout search, making them expensive and excluding smaller models. We pose the research question: whether heterogeneous LLMs can collaborate during compiler optimization while reducing compilation cost below optimization guided by a single large LLM. Crucially, this must be achieved without introducing overhead from agentic frameworks, which would run counter to the goal of lower compilation cost. To achieve these competing objectives, we introduce LiteCoOp, a lightweight framework that turns the optimization search tree itself into the mechanism for multi-LLM collaboration, enabling heterogeneous models to share progress without external agentic coordination. At each optimization step, LiteCoOp queries one LLM to propose both a compiler transformation and select the LLM to query at the next step. These LLM proposals are recorded in a shared MCTS tree, so all models are invoked serially and yet are informed by each other's decisions. The shared MCTS backpropagates the rewards, allowing progress made by one model to influence later decisions by others. This makes the MCTS tree the collaborative reasoning mechanism itself, avoiding inter-model communication, heavy reasoning traces, or agentic infrastructure. We instantiate this idea with an LLM-aware UCT that biases model selection toward smaller LLMs to reduce cost while still preserving the compiler performance objective. Across diverse GPU and (CPU) benchmarks, LiteCoOp consistently outperforms single-model baselines, with the best results obtained when scaling collaboration to eight heterogeneous LLMs. This eight-model config reduces total compilation time by 1.95x (1.74x), reduces API cost by 4.47x (4.32x), and invokes the largest model for only 23.1% (23.9%) of total calls while demonstrating collaboration scalability.
Authors: Chunsan Hong, Sanghyun Lee, Jong Chul Ye
Abstract: Masked diffusion models (MDMs) are a potential alternative to autoregressive models (ARMs) for language generation, but generation quality depends critically on the generation order. Prior work either hard-codes an ordering (e.g., blockwise left-to-right) or learns an ordering policy for a pretrained MDM, which incurs extra cost and can yield suboptimal solutions due to the two-stage optimization. Motivated by this, we propose order-expressive masked diffusion model (OeMDM) for a broad class of diffusion generative processes with various generation orders, enabling the interpretation of MDM, ARM, and block diffusion in a single framework. Furthermore, building on OeMDM, we introduce learnable-order masked diffusion model (LoMDM), which jointly learns the generation ordering and diffusion backbone through a single objective from scratch, enabling the diffusion model to generate text in context-dependent ordering. Empirically, we confirm that LoMDM outperforms various discrete diffusion models across multiple language modeling benchmarks.
Authors: Felix X. -F. Ye, Xingjie Li, An Yu, Ming-Ching Chang, Linsong Chu, Davis Wertheimer
Abstract: Entropic optimal transport (EOT) via Sinkhorn iterations is widely used in modern machine learning, yet GPU solvers remain inefficient at scale. Tensorized implementations suffer quadratic HBM traffic from dense $n\times m$ interactions, while existing online backends avoid storing dense matrices but still rely on generic tiled map-reduce reduction kernels with limited fusion. We present \textbf{FlashSinkhorn}, an IO-aware EOT solver for squared Euclidean cost that rewrites stabilized log-domain Sinkhorn updates as row-wise LogSumExp reductions of biased dot-product scores, the same normalization as transformer attention. This enables FlashAttention-style fusion and tiling: fused Triton kernels stream tiles through on-chip SRAM and update dual potentials in a single pass, substantially reducing HBM IO per iteration while retaining linear-memory operations. We further provide streaming kernels for transport application, enabling scalable first- and second-order optimization. On A100 GPUs, FlashSinkhorn achieves up to $32\times$ forward-pass and $161\times$ end-to-end speedups over state-of-the-art online baselines on point-cloud OT, improves scalability on OT-based downstream tasks. For reproducibility, we release an open-source implementation at https://github.com/ot-triton-lab/flash-sinkhorn .
Authors: Maya Bechler-Speicher, Yoel Gottlieb, Andrey Isakov, David Abensur, Ami Tavory, Daniel Haimovich, Ido Guy, Udi Weinsberg
Abstract: Graph-structured data underpins many critical applications. While foundation models have transformed language and vision via large-scale pretraining and lightweight adaptation, extending this paradigm to general, real-world graphs is challenging. In this work, we present Graph Billion-Foundation-Fusion (GraphBFF): an end-to-end recipe for building billion-parameter Graph Foundation Models (GFMs) for large-scale heterogeneous graphs. Central to the recipe is the GraphBFF Transformer, a flexible and scalable architecture designed for practical billion-scale GFMs. Using the GraphBFF, we present neural scaling laws for heterogeneous graphs and show that loss decreases predictably as either model capacity or training data scales, depending on which factor is the bottleneck. The GraphBFF framework provides concrete methodologies for data batching, pretraining, and fine-tuning for building GFMs at scale. We demonstrate the effectiveness of the framework over a real-world billion-scale graph, with an evaluation of a billion-parameter GraphBFF Transformer following the proposed recipe. Across ten diverse, real-world downstream tasks on graphs unseen during training, spanning node- and link-level classification and regression, GraphBFF consistently outperforms baselines, with large margins of up to 31 PRAUC points, including in few-shot settings. Finally, we discuss key challenges and open opportunities for making GFMs a practical and principled foundation for graph learning at industrial scale.
Authors: Dahai Yu, Lin Jiang, Rongchao Xu, Guang Wang
Abstract: Healthcare facility visit prediction is essential for optimizing healthcare resource allocation and informing public health policy. Despite advanced machine learning methods being employed for better prediction performance, existing works usually formulate this task as a time-series forecasting problem without considering the intrinsic spatial dependencies of different types of healthcare facilities, and they also fail to provide reliable predictions under abnormal situations such as public emergencies. To advance existing research, we propose HealthMamba, an uncertainty-aware spatiotemporal framework for accurate and reliable healthcare facility visit prediction. HealthMamba comprises three key components: (i) a Unified Spatiotemporal Context Encoder that fuses heterogeneous static and dynamic information, (ii) a novel Graph State Space Model called GraphMamba for hierarchical spatiotemporal modeling, and (iii) a comprehensive uncertainty quantification module integrating three uncertainty quantification mechanisms for reliable prediction. We evaluate HealthMamba on four large-scale real-world datasets from California, New York, Texas, and Florida. Results show HealthMamba achieves around 6.0% improvement in prediction accuracy and 3.5% improvement in uncertainty quantification over state-of-the-art baselines.
Authors: Feng Zhu, Robert W. Heath Jr., Aritra Mitra
Abstract: Stochastic variance-reduced algorithms such as Stochastic Average Gradient (SAG) and SAGA, and their deterministic counterparts like the Incremental Aggregated Gradient (IAG) method, have been extensively studied in large-scale machine learning. Despite their popularity, existing analyses for these algorithms are disparate, relying on different proof techniques tailored to each method. Furthermore, the original proof of SAG is known to be notoriously involved, requiring computer-aided analysis. Focusing on finite-sum optimization with smooth and strongly convex objective functions, our main contribution is to develop a single unified convergence analysis that applies to all three algorithms: SAG, SAGA, and IAG. Our analysis features two key steps: (i) establishing a bound on delays due to stochastic sub-sampling using simple concentration tools, and (ii) carefully designing a novel Lyapunov function that accounts for such delays. The resulting proof is short and modular, providing the first high-probability bounds for SAG and SAGA that can be seamlessly extended to non-convex objectives and Markov sampling. As an immediate byproduct of our new analysis technique, we obtain the best known rates for the IAG algorithm, significantly improving upon prior bounds.
Authors: Yayuan Li, Ze Peng, Jian Zhang, Jintao Guo, Yue Duan, Yinghuan Shi
Abstract: Model merging combines multiple fine-tuned models into a single model by adding their weight updates, providing a lightweight alternative to retraining. Existing methods primarily target resolving conflicts between task updates, leaving the failure mode of over-counting shared knowledge unaddressed. We show that when tasks share aligned spectral directions (i.e., overlapping singular vectors), a simple linear combination repeatedly accumulates these directions, inflating the singular values and biasing the merged model toward shared subspaces. To mitigate this issue, we propose Singular Value Calibration (SVC), a training-free and data-free post-processing method that quantifies subspace overlap and rescales inflated singular values to restore a balanced spectrum. Across vision and language benchmarks, SVC consistently improves strong merging baselines and achieves state-of-the-art performance. Furthermore, by modifying only the singular values, SVC improves the performance of Task Arithmetic by 13.0%. Code is available at https://github.com/lyymuwu/SVC.
Authors: Minyoung Kim
Abstract: Bayesian (deep) neural networks (BNN) are often more attractive than the vanilla point-estimate deep learning in various aspects including uncertainty quantification, robustness to noise, resistance to overfitting, and more. The variational inference (VI) is one of the most widely adopted approximate inference methods. Whereas the ELBO-based variational free energy method is a dominant choice in the literature, in this paper we introduce a score-based alternative for BNN variational inference. Score-based VI can address the known issue of mode collapsing in ELBO-based VI. Although several score-based VI methods have been proposed in the community, most are not adequate for large-scale BNNs for various computational and technical reasons. We propose a novel scalable VI method where the learning objective combines the score matching loss and the proximal penalty term in iterations, which helps our method avoid the reparametrized sampling, and allows for noisy unbiased mini-batch scores through stochastic gradients. This in turn makes our method scalable to large-scale neural networks including Vision Transformers. On several benchmarks including visual recognition and time-series forecasting with large-scale deep networks, we empirically show the effectiveness of our approach.
Authors: Ioannis Anagnostides, Gabriele Farina, Maxwell Fishelson, Haipeng Luo, Jon Schneider
Abstract: We consider the problem of minimizing different notions of swap regret in online optimization. These forms of regret are tightly connected to correlated equilibrium concepts in games, and have been more recently shown to guarantee non-manipulability against strategic adversaries. The only computationally efficient algorithm for minimizing linear swap regret over a general convex set in $\mathbb{R}^d$ was developed recently by Daskalakis, Farina, Fishelson, Pipis, and Schneider (STOC '25). However, it incurs a highly suboptimal regret bound of $\Omega(d^4 \sqrt{T})$ and also relies on computationally intensive calls to the ellipsoid algorithm at each iteration. In this paper, we develop a significantly simpler, computationally efficient algorithm that guarantees $O(d \sqrt{T})$ linear swap regret for a general convex set that has been preconditioned via the John ellipsoid. Our algorithm leverages the powerful response-based approachability framework of Bernstein and Shimkin (JMLR~'15) -- previously overlooked in the line of work on swap regret minimization -- and simultaneously minimizes profile swap regret, which was recently shown to guarantee non-manipulability. Moreover, we establish a matching information-theoretic lower bound: any learner must incur in expectation $\Omega(d \sqrt{T})$ linear swap regret for large enough $T$, even when the set is centrally symmetric. This also shows that the classic algorithm of Gordon, Greenwald, and Marks (ICML '08) is existentially optimal for minimizing linear swap regret, although it is computationally inefficient. Finally, we extend our approach to minimize regret with respect to the set of swap deviations with polynomial dimension, unifying and strengthening recent results in equilibrium computation and online learning.
Authors: Yonghui Yang, Wenjian Tao, Jilong Liu, Xingyu Zhu, Junfeng Fang, Weibiao Huang, Le Wu, Richang Hong, Tat-Sent Chua
Abstract: Safety alignment of large language models remains brittle under domain shift and noisy preference supervision. Most existing robust alignment methods focus on uncertainty in alignment data, while overlooking optimization-induced fragility in preference-based objectives. In this work, we revisit robustness for LLM safety alignment from an optimization geometry perspective, and argue that robustness failures cannot be addressed by data-centric methods alone. We propose \textit{ShaPO}, a geometry-aware preference optimization framework that enforces worst-case alignment objectives via selective geometry control over alignment-critical parameter subspace. By avoiding uniform geometry constraints, ShaPO mitigates the over-regularization that can harm robustness under distribution shift. We instantiate ShaPO at two levels: token-level ShaPO stabilizes likelihood-based surrogate optimization, while reward-level ShaPO enforces reward-consistent optimization under noisy supervision. Across diverse safety benchmarks and noisy preference settings, ShaPO consistently improves safety robustness over popular preference optimization methods. Moreover, ShaPO composes cleanly with data-robust objectives, yielding additional gains and empirically supporting the proposed optimization-geometry perspective. The code is available at https://github.com/liujilong0116/ShaPO.
Authors: Tianyu Li, Dongchen Han, Zixuan Cao, Haofeng Huang, Mengyu Zhou, Ming Chen, Erchao Zhao, Xiaoxi Jiang, Guanjun Jiang, Gao Huang
Abstract: The long-standing tension between Pre- and Post-Norm remains an open problem in Transformer architecture, reflecting a fundamental trade-off between training stability and representational capacity. Prior attempts to combine their strengths have made progress, but often show limited robustness across training settings, restricting their broader applicability. We revisit this dilemma, showing that single-stream architectures struggle to reconcile Pre-Norm's stable identity-gradient propagation with Post-Norm's normalization of the main residual path. To address this structural tension, we propose SiameseNorm, a simple yet effective two-stream architecture that remains compatible with Pre-Norm training recipes. SiameseNorm couples Pre-Norm-like and Post-Norm-like streams through shared residual blocks, allowing each residual block to receive optimization signals from both pathways with negligible overhead. Extensive experiments on 400M and 1.3B dense language models, 15B MoE models, Vision Transformers, and Diffusion Transformers show that SiameseNorm consistently improves performance while maintaining strong training stability across architectures and modalities. Code is available at https://github.com/Qwen-Applications/SiameseNorm.
Authors: Beicheng Xu, Keyao Ding, Wei Liu, Yupeng Lu, Bin Cui
Abstract: Feature Engineering (FE) is pivotal in automated machine learning (AutoML) but remains a bottleneck for traditional methods, which operate within rigid search spaces and lack domain awareness. While Large Language Models (LLMs) offer a promising alternative to generate unbounded operators with semantic reasoning, existing methods focus on isolated subtasks such as feature generation, falling short of free-form FE pipelines. Moreover, they are rarely coupled with hyperparameter optimization (HPO) of the downstream ML model, leading to greedy "FE-then-HPO" workflows that cannot capture strong FE-HPO interactions. In this paper, we present CoFEH, a collaborative framework that interleaves LLM-based FE and Bayesian HPO for robust end-to-end AutoML. CoFEH uses an LLM-driven FE optimizer powered by Tree of Thought (TOT) to explore flexible FE pipelines, a Bayesian optimization (BO) module to solve HPO, and a dynamic optimizer selector that adaptively interleaves FE and HPO steps. Crucially, we introduce a mutual conditioning mechanism that shares context between LLM and BO, enabling mutually informed decisions. Experiments show that CoFEH outperforms both traditional and LLM-based baselines in both standalone FE and joint FE+HPO settings.
Authors: Amey P. Pasarkar, Adji Bousso Dieng
Abstract: Out-of-distribution (OOD) detection is critical for the safe deployment of machine learning systems. Existing post-hoc detectors typically rely on model confidence scores or likelihood estimates in feature space, often under restrictive distributional assumptions. In this work, we introduce a third paradigm and formulate OOD detection from a diversity perspective. We propose the Vendi Novelty Score (VNS), an OOD detector based on the Vendi Scores (VS), a family of similarity-based diversity metrics. VNS quantifies how much a test sample increases the VS of the in-distribution feature set, providing a principled notion of novelty that does not require density modeling. VNS is linear-time, non-parametric, and naturally combines class-conditional (local) and dataset-level (global) novelty signals. Across multiple image classification benchmarks and network architectures, VNS achieves state-of-the-art OOD detection performance. Remarkably, VNS retains this performance when computed using only 1% of the training data, enabling deployment in memory- or access-constrained settings.
Authors: Kazuki Ota, Takayuki Osa, Motoki Omura, Tatsuya Harada
Abstract: Two-player games such as board games have long been used as traditional benchmarks for reinforcement learning. This work revisits a policy optimization method with reverse Kullback-Leibler regularization and entropy regularization and analyzes this combination in two-player zero-sum settings from theoretical and empirical perspectives. From a theoretical perspective, we investigate the stability of the policy update rule in two theoretical settings: game-theoretic normal-form games and finite-length games. We provide novel convergence guarantees and verify our theoretical results through numerical experiments on synthetic games. From an empirical perspective, we derive a practical model-free reinforcement learning algorithm based on the regularized policy optimization. We validate the training efficiency of our algorithm through comprehensive experiments on five board games: Animal Shogi, Gardner Chess, Go, Hex, and Othello. Experimental results show that our agent learns more efficiently than existing methods across environments.
Authors: Rosie Zhao, Anshul Shah, Xiaoyu Zhu, Xinke Deng, Zhongyu Jiang, Yang Yang, Joerg Liebelt, Arnab Mondal
Abstract: Reinforcement learning (RL) finetuning has become a key technique for enhancing large language models (LLMs) on reasoning-intensive tasks, motivating its extension to vision-language models (VLMs). While RL-tuned VLMs improve on visual reasoning benchmarks, they remain vulnerable to weak visual grounding, hallucinations, and over-reliance on textual cues. We show that simple, controlled textual perturbations, including misleading captions or incorrect chain-of-thought (CoT) traces, cause substantial drops in robustness and confidence, and that these effects are more pronounced when CoT consistency is taken into account across open-source multimodal reasoning models. In contrast, closed models exhibit similar failure modes but maintain markedly greater robustness and reasoning consistency, suggesting that the gap reflects a shortcoming in current open-source RL finetuning rather than an inherent limitation of the task. To better understand these vulnerabilities, we further analyze RL finetuning dynamics and uncover an accuracy-faithfulness trade-off: finetuning raises benchmark accuracy, but can simultaneously erode the reliability of the accompanying CoT and its robustness to contextual shifts. Although adversarial augmentation improves robustness, it does not by itself prevent faithfulness drift. Incorporating a faithfulness-aware reward can restore alignment between answers and reasoning, but when paired with augmentation, training risks collapsing onto shortcut strategies and robustness remains elusive. Together, these findings highlight the limitations of accuracy-only evaluations and motivate training and assessment protocols that jointly emphasize correctness, robustness, and the faithfulness of visually grounded reasoning.
Authors: Filippo Rinaldi, Aniello Panariello, Giacomo Salici, Angelo Porrello, Simone Calderara
Abstract: Adapting large pre-trained models to downstream tasks often produces task-specific parameter updates that are expensive to relearn for every model variant. While recent work has shown that such updates can be transferred between models with identical architectures, transferring them across models of different widths remains unexplored. In this work, we introduce Theseus, a training-free method for transporting task updates across heterogeneous-width models. Rather than matching parameters, we characterize a task update by the functional effect it induces on intermediate representations. We formalize task-vector transport as a functional matching problem on observed activations and show that, after aligning representation spaces via orthogonal Procrustes analysis, it admits a stable closed-form solution that preserves the geometry of the update. We evaluate Theseus on vision and language models across different widths, showing consistent improvements over baselines without additional training or backpropagation. Our results show that task updates can be meaningfully transferred across architectures when task identity is defined functionally rather than parametrically. Code is available at https://github.com/apanariello4/merge-and-rebase.
Authors: Edward Chen, Sanmi Koyejo, Carlos Guestrin
Abstract: Large language model (LLM) alignment relies on complex reward signals that often obscure the specific behaviors being incentivized, creating critical risks of misalignment and reward hacking. Existing interpretation methods typically rely on pre-defined rubrics, risking the omission of "unknown unknowns", or fail to identify objectives that comprehensively cover and are causal to the model behavior. To address these limitations, we introduce Obj-Disco, a framework that automatically decomposes an alignment reward signal into a sparse, weighted combination of human-interpretable natural language objectives. Our approach utilizes an iterative greedy algorithm to analyze behavioral changes across training checkpoints, identifying and validating candidate objectives that best explain the residual reward signal. Extensive evaluations across diverse tasks, model sizes, and alignment algorithms demonstrate the framework's robustness. Experiments with popular open-source reward models show that the framework consistently captures > 90% of reward behavior, a finding further corroborated by human evaluation. Additionally, a case study on alignment with an open-source reward model reveals that Obj-Disco can successfully identify latent misaligned incentives that emerge alongside intended behaviors. Our work provides a crucial tool for uncovering the implicit objectives in LLM alignment, paving the way for more transparent and safer AI development.
Authors: Yunshu Wu, Jiayi Cheng, Longxuan Yu, Partha Thakuria, Rob Brekelmans, Evangelos E. Papalexakis, Greg Ver Steeg
Abstract: Continuous diffusion is a natural framework for non-autoregressive generation but has generally lagged behind masked discrete diffusion models (MDMs) on discrete sequence generation. We argue that the bottleneck is not continuity itself, but a representation in which denoising depends on timestep-indexed noise regimes. We introduce \emph{Discrete Stochastic Localization} (DSL), a continuous-state framework with unit-sphere token embeddings whose Bayes-optimal denoiser is invariant to the nominal signal-to-noise ratio (SNR) under the localization channel. One trained network then supports an entire family of per-token SNR paths, with endpoint masked-diffusion paths as a special case. Fine-tuning a pretrained MDLM checkpoint with DSL substantially improves distributional faithfulness (MAUVE) on OpenWebText across all step budgets from $T{=}128$ to $T{=}1024$, and the same checkpoint supports random-order autoregressive sampling, as well as a hybrid continuous-then-discrete sampler using as few as T=48 total steps -- without distillation or retraining.
Authors: Mia Zosso, Ali Hariri, Victor Kawasaki-Borruat, Pierre-Gabriel Berlureau, Pierre Vandergheynst
Abstract: Long-range graph tasks are challenging for Graph Neural Networks (GNNs): global mechanisms such as attention or rewiring schemes can be computationally expensive, while deep local propagation is prone to vanishing gradients, oversmoothing, and oversquashing. The introduced mu-ChebNet architecture is a simple spectral GNN that learns a node-wise weight function mu before applying ChebNet-style filters. The learned weighting mu induces a modified graph Laplacian which effectively changes the propagation geometry without altering the graph topology. This task-dependent geometry promotes preferred routes for information propagation, thereby helping long-range signals avoid highly contractive bottlenecks, and obviating the need for repeated layer stacking. In practice, we replace the fixed graph Laplacian L by a learned operator L_mu, keeping the proposed mu-ChebNet architecture lightweight while making propagation task-adaptive. Furthermore, we provide a spectral analysis demonstrating how mu modulates propagation dynamics, and empirically observe improved performance on both synthetic long-range reasoning tasks and real-world graph benchmarks. The learned weight function is not only interpretable, but also offers a lightweight alternative to attention and rewiring for adaptive graph propagation.
Authors: Ziqiao Shang, Lingyue Ge, Zi-Jian Cheng, Shi-Yu Tian, Zhenyu Huang, Wenbo Fu, Weiming Wu, Yang Chen, Xiangwen Zhang, Yulan Hu, Bin Liu, Yu-Feng Li, Lan-Zhe Guo
Abstract: Systematic evaluation of Multimodal Large Language Models (MLLMs) is crucial for advancing Artificial General Intelligence (AGI). However, existing benchmarks remain insufficient for rigorously assessing their reasoning capabilities under multi-criteria constraints. To bridge this gap, we introduce MapTab, a multimodal benchmark specifically designed to evaluate holistic multi-criteria reasoning in MLLMs via route planning tasks. MapTab requires MLLMs to perceive and ground visual cues from map images alongside route attributes (e.g., Time, Price) from structured tabular data. The benchmark encompasses two scenarios: Metromap, covering metro networks in 160 cities across 52 countries, and Travelmap, depicting 168 representative tourist attractions from 19 countries. In total, MapTab comprises 328 images, 196,800 route planning queries, and 3,936 QA queries, all incorporating 4 key criteria: Time, Price, Comfort, and Reliability. Extensive evaluations across 15 representative MLLMs reveal that current models face substantial challenges in multi-criteria multimodal reasoning. Notably, under conditions of limited visual perception, multimodal collaboration often underperforms compared to unimodal approaches. We believe MapTab provides a challenging and realistic testbed to advance the systematic evaluation of MLLMs. Our code is available at https://github.com/Ziqiao-Shang/MapTab.
Authors: Sijie Ruan (Beijing Institute of Technology, China), Jinyu Li (Beijing Institute of Technology, China), Jia Wei (Beijing Institute of Technology, China), Zenghao Xu (Zhejiang Center for Disease Control and Prevention, China), Jie Bao (JD Technology, China), Junshi Xu (The University of Hong Kong, Hong Kong SAR, China), Junyang Qiu (China Mobile Internet, China), Shuliang Wang (Beijing Institute of Technology, China), Xiaoxiao Wang (Zhejiang Center for Disease Control and Prevention, China), Hanning Yuan (Beijing Institute of Technology, China)
Abstract: Spatio-temporal epidemic forecasting is critical for public health management, yet existing methods often struggle with insensitivity to weak epidemic signals, over-simplified spatial relations, and unstable parameter estimation. To address these challenges, we propose the Spatio-Temporal priOr-aware Epidemic Predictor (STOEP), a novel hybrid framework that integrates implicit spatio-temporal priors and explicit expert priors. STOEP consists of three key components: (1) Case-aware Adjacency Learning (CAL), which dynamically adjusts mobility-based regional dependencies using historical infection patterns; (2) Space-informed Parameter Estimating (SPE), which employs learnable spatial priors to amplify weak epidemic signals; and (3) Filter-based Mechanistic Forecasting (FMF), which uses an expert-guided adaptive thresholding strategy to regularize epidemic parameters. Extensive experiments on real-world COVID-19 and influenza datasets demonstrate that STOEP outperforms the best baseline by 11.1% in RMSE. The system has been deployed at a provincial CDC in China to facilitate downstream applications.
Authors: Vamshi Sunku Mohan, Kaustubh Gupta, Aneesha Das, Chandan Singh
Abstract: State-space models (SSMs) have emerged as an efficient strategy for building powerful language models, avoiding the quadratic complexity of computing attention in transformers. Despite their promise, the interpretability and steerability of modern SSMs remain relatively underexplored. We take a major step in this direction by identifying activation subspace bottlenecks in the Mamba family of SSM models using tools from mechanistic interpretability. We then introduce a test-time steering intervention that simply multiplies the activations of the identified bottlenecks by a scalar. Across 7 SSMs and 6 diverse benchmarks, this intervention improves performance by an average of 8.27%, without requiring any task-specific tuning. Finally, we validate that the identified bottlenecks are indeed hindering performance by modifying them to yield an architecture we call Stable-Mamba, which achieves long-context performance gains when retrained from scratch.
Authors: Sayed Mohammadreza Tayaranian Hosseini, Amir Ardakani, Warren J. Gross
Abstract: When transformer-based language models are deployed for text generation, most of the inference time is spent in the decoding stage, where output tokens are generated sequentially. Reducing the hardware cost of each decoding step is therefore critical for efficient long-context generation. A major bottleneck is the key-value (KV) cache, whose size grows with sequence length and often dominates the model's memory footprint. Prior work has proposed quantization methods to compress the KV cache while minimizing its loss of precision. We present InnerQ, a hardware-aware KV cache quantization scheme that reduces decode latency without compromising evaluation performance. InnerQ performs group-wise quantization by grouping cache matrices along their inner dimension. This grouping strategy aligns dequantization with vector-matrix multiplication and increases data reuse across GPU compute units. As a result, InnerQ reduces memory access and accelerates dequantization, achieving an average $1.3\times$ speedup over prior KV cache quantization methods and $2.7\times$ over the non-quantized baseline. To maintain fidelity under aggressive compression, InnerQ incorporates three techniques: (i) hybrid quantization, which chooses symmetric or asymmetric quantization for each group based on local statistics; (ii) high-precision windows for both recent tokens and attention sink tokens to mitigate outlier leakage; and (iii) per-channel normalization of the key cache, computed once during prefill and folded into the model parameters to eliminate runtime overhead. Beyond reducing latency, experiments on Llama and Mistral models show that InnerQ also improves few-shot evaluation scores relative to prior KV cache quantization methods.
Authors: Zhixia Zhang, Zixuan Huang, Gongxun Li, Huaiyang Wang, Chengyi Yuan, Xin Xia, Deqing Wang, Fuzhen Zhuang, Shuai Ma, Ning Ding, Yaodong Yang, Jianxin Li, Yikun Ban
Abstract: We introduce Heterogeneous Agent Collaborative Reinforcement Learning (HACRL), a new Reinforcement Learning from Verifiable Reward (RLVR) problem that addresses the inefficiencies of isolated multi-agent on-policy optimization. HACRL enables collaborative optimization with independent execution: heterogeneous agents share verified rollouts during training to mutually improve, while operating independently at inference time. Unlike LLM-based multi-agent reinforcement learning (MARL), HACRL does not require coordinated deployment, and unlike on-/off-policy distillation, it enables bidirectional mutual learning among heterogeneous agents rather than one-directional homogeneous teacher-to-student transfer. Building on this problem, we propose HACPO, a collaborative RL algorithm that enables principled rollout sharing to maximize sample utilization and cross-agent knowledge transfer. To mitigate capability discrepancies and policy distribution shifts, HACPO introduces four tailored mechanisms with theoretical guarantees on unbiased advantage estimation. Extensive experiments across diverse heterogeneous model combinations and reasoning benchmarks show that HACPO consistently improves all participating agents, outperforming GSPO with double rollouts by an average of 3.6% while using only half the rollout cost.
Authors: Fengzhi Li, Liang Zhang, Yuan Zuo, Ruiqing Zhao, YanSong Liu, Yunfei Ma, Fanyu Meng, Junlan Feng
Abstract: Graph-based tasks in the zero-shot setting remain a significant challenge due to data scarcity and the inability of traditional Graph Neural Networks (GNNs) to generalize to unseen domains or label spaces. While recent advancements have transitioned toward leveraging Large Language Models (LLMs) as predictors to enhance GNNs, these methods often suffer from cross-modal alignment issues. A recent paradigm (i.e., Graph-R1) overcomes the aforementioned architectural dependencies by adopting a purely text-based format and utilizing LLM-based graph reasoning, showing improved zero-shot generalization. However, it employs a task-agnostic, one-size-fits-all subgraph extraction strategy, which inevitably introduces significant structural noise--irrelevant neighbors and edges--that distorts the LLMs' receptive field and leads to suboptimal predictions. To address this limitation, we introduce GraphSSR, a novel framework designed for adaptive subgraph extraction and denoising in zero-shot LLM-based graph reasoning. Specifically, we propose the SSR pipeline, which dynamically tailors subgraph extraction to specific contexts through a "Sample-Select-Reason" process, enabling the model to autonomously filter out task-irrelevant neighbors and overcome the one-size-fits-all issue. To internalize this capability, we develop SSR-SFT, a data synthesis strategy that generates high-quality SSR-style graph reasoning traces for supervised fine-tuning of LLMs. Furthermore, we propose SSR-RL, a two-stage reinforcement learning framework that explicitly regulates sampling and selection operations within the proposed SSR pipeline designed for adaptive subgraph denoising. By incorporating Authenticity-Reinforced and Denoising-Reinforced RL, we guide the model to achieve accurate predictions using parsimonious, denoised subgraphs for reasoning.
Authors: Peter Adema, Karim Galliamov, Aleksey Evstratovskiy, Ross Geurts
Abstract: Offline Reinforcement Learning (RL) is an emerging field of RL in which policies are learned solely from demonstrations. Within offline RL, some environments involve balancing multiple objectives, but existing multi-objective offline RL algorithms do not provide an efficient way to find a fair compromise. FairDICE (see arXiv:2506.08062v2) seeks to fill this gap by adapting OptiDICE (an offline RL algorithm) to automatically learn weights for multiple objectives to e.g. incentivise fairness among objectives. As this would be a valuable contribution, this replication study examines the replicability of claims made regarding FairDICE. We find that many theoretical claims hold, but an error in the code reduces FairDICE to standard behaviour cloning in continuous environments, and many important hyperparameters were originally underspecified. After rectifying this, we show in experiments extending the original paper that FairDICE can scale to complex environments and high-dimensional rewards, though it can be reliant on (online) hyperparameter tuning. We conclude that FairDICE is a theoretically interesting method, but the experimental justification requires significant revision.
Authors: Chen-Hao Chao, Wei-Fang Sun, Junwei Quan, Chun-Yi Lee, Rahul G. Krishnan
Abstract: Masked diffusion models (MDM) exhibit superior generalization when learned using a Partial masking scheme (Prime). This approach converts tokens into sub-tokens and models the diffusion process at the sub-token level. We identify two limitations of the MDM-Prime framework. First, we find that the functional form of the subtokenizer significantly increases the cross-entropy loss in the objective when paired with commonly used Byte-Pair-Encoding (BPE) tokenizers. Second, we lack tools to guide the hyperparameter choice of the token granularity in the subtokenizer. To address these limitations, we analyze the optimal design of the subtokenizer that minimizes MDM-Prime training objective and develop MDM-Prime-v2, a masked diffusion language model which incorporates Binary Encoding and Index Shuffling. Our analysis characterizes how token granularity and sub-token entropy influence the training objective and downstream performance, providing principled criteria for subtokenizer design. When extending the model size to 1.1B parameters, MDM-Prime-v2 demonstrates superior average zero-shot accuracy across eight commonsense reasoning benchmarks, outperforming similar-sized baselines including GPT-Neo, OPT, Pythia, Bloom, SMDM, and TinyLLaMA.
Authors: Tianyang Luo, Tao Feng, Zhigang Hua, Yan Xie, Shuang Yang, Ge Liu, Jiaxuan You
Abstract: Reinforcement learning has emerged as a powerful paradigm for improving large language model (LLM) reasoning, where rollouts are sampled from the policy and reward signals computed on those rollouts are used to update the policy. However, in data-scarce scenarios, obtaining ground-truth labels to verify rollouts at scale often requires expensive human annotation or labor-intensive expert verification. For instance, evaluating mathematical proofs demands expert review, and open-ended question answering lacks definitive ground truth. When ground-truth labels are scarce, the effectiveness of reinforcement learning fine-tuning is constrained. Inspired by the success of semi-supervised learning in propagating labels from labeled to unlabeled samples, we propose MemReward, a graph-based experience memory framework that integrates reward propagation directly into online policy optimization. MemReward stores rollouts (thinking processes and final answers) from an initial LLM policy as nodes in a heterogeneous graph connected by similarity and structural edges, over which a GNN propagates rewards from labeled to unlabeled rollouts. To train such a framework, we first warm up the GNN on labeled rollouts to predict rewards via heterogeneous aggregation over query, thinking, and answer nodes. During online RL fine-tuning, unlabeled rollouts are attached to the graph by query similarity, and the GNN predicts their rewards, yielding a hybrid reward acquisition strategy that combines ground-truth and GNN-predicted rewards. Experiments on Qwen2.5-1.5B and 3B in mathematics, question answering, and code generation demonstrate that MemReward, with ground-truth rewards on only 20% of rollouts, achieves 96.6% of Oracle performance on 1.5B and 97.3% on 3B, and closely approaches Oracle on out-of-domain tasks.
Authors: Guillaume Baudart, Marc Lelarge, Tristan St\'erin, Jules Viennot
Abstract: We report on an experiment in which Claude Opus~4.6, equipped with a suite of Model Context Protocol (MCP) tools for the Rocq proof assistant, autonomously proved 10 of 12 problems from the 2025 Putnam Mathematical Competition. The MCP tools, designed with Claude by analyzing logs from a prior experiment on miniF2F-Rocq, encode a "compile-first, interactive-fallback" strategy. Running on an isolated VM with no internet access, the agent deployed 141 subagents over 17.7 hours of active compute (51.6h wall-clock), consuming approximately 1.9 billion tokens. All proofs are publicly available.
Authors: Abdou-Raouf Atarmla
Abstract: Compliance monitoring in rule-governed domains (tax administration, clinical protocol adherence, environmental regulation) faces three structural obstacles that standard machine learning does not simultaneously address: the absence of labeled outcomes at deployment, strategically missing observations where non-compliant entities selectively withhold evidence, and a regulatory environment that changes faster than any supervised model can be retrained. We introduce Rule-State Inference (RSI), a Bayesian framework that reverses the usual paradigm. Rather than learning rules from data, RSI treats an authoritative, formalized rule set as structured Bayesian priors and infers the latent compliance state of a population through mean-field variational inference with exact coordinate-ascent updates. The central modeling object is a joint latent state per regulatory period: a global compliance-culture factor eta and per-rule components for activation, population compliance level, and parametric drift. RSI delivers three formal guarantees: O(n_k + K) regulatory adaptability per rule update; Bernstein-von Mises consistency for the identifiable continuous components; and monotone ELBO convergence at every iteration. We instantiate RSI on the Togolese fiscal system on a benchmark of 2,000 synthetic enterprises grounded in official regulatory law; full numerical validation is forthcoming. The framework is designed for direct extension to Sequential RSI, a state-space formulation where the posterior from one regulatory period becomes the prior for the next, yielding an exact Kalman filter for compliance-trajectory tracking and entity-level Bayesian scoring.
Authors: Dongxia Wu, Yuhui Zhang, Serena Yeung-Levy, Emma Lundberg, Emily B. Fox
Abstract: Distribution-to-distribution generative models support scientific imaging tasks ranging from modeling cellular perturbation responses to translating medical images across conditions. Trustworthy generation requires reliability, or generalization across labs, devices, and experimental conditions, and accountability, or detecting out-of-distribution cases where predictions may be unreliable. We leverage Stochastic Flow Matching (SFM), a marginal-preserving stochastic extension of flow matching for improved generalization under distribution shift. SFM augments deterministic flows with a diffusion term together with a learned score-based drift correction, retaining the learned transport marginals while modeling conditional variability. Building on this SFM framework, we introduce Bayesian Stochastic Flow Matching (BSFM) as a companion uncertainty quantification mechanism and develop AVUQ (Antithetic Variance-reduction Uncertainty Quantification) to approximately estimate epistemic and aleatoric uncertainty via sample-efficient antithetic sampling with approximate posterior inference. We further use AVUQ to yield anomaly scores for unreliable generation detection. Experiments on cellular imaging (BBBC021, JUMP) and brain fMRI (Theory of Mind) across diverse unseen scenarios show that SFM improves generalization while AVUQ provides effective uncertainty-based anomaly scores under practical sampling budgets.
Authors: Dongxia Wu, Shiye Su, Yuhui Zhang, Elaine Sui, Emma Lundberg, Emily B. Fox, Serena Yeung-Levy
Abstract: Building virtual cells with generative models to simulate cellular behavior in silico is emerging as a promising paradigm for accelerating drug discovery. However, prior image-based generative approaches can produce implausible cell images that violate basic physical and biological constraints. To address this, we propose to post-train virtual cell models with reinforcement learning (RL), leveraging biologically meaningful evaluators as reward functions. We design seven rewards spanning three categories-biological function, structural validity, and morphological correctness-and optimize the state-of-the-art CellFlux model to yield CellFluxRL. CellFluxRL consistently improves over CellFlux across all rewards, with further performance boosts from test-time scaling. Overall, our results present a virtual cell modeling framework that enforces physically-based constraints through RL, advancing beyond "visually realistic" generations towards "biologically meaningful" ones.
Authors: Renato Cordeiro de Amorim, Vladimir Makarenkov
Abstract: The Minkowski weighted $k$-means ($mwk$-means) algorithm extends classical $k$-means by incorporating feature weights and a Minkowski distance. We first show that the $mwk$-means objective can be expressed as a power-mean aggregation of within-cluster dispersions, with the order determined by the Minkowski exponent $p$. This formulation reveals how $p$ controls the transition between selective and uniform use of features. Using this representation, we derive bounds for the objective function and characterise the structure of the feature weights, showing that they depend only on relative dispersion and follow a power-law relationship with dispersion ratios. This leads to explicit guarantees on the suppression of high-dispersion features, and we establish convergence of the algorithm. Building on these theoretical results, we introduce Cluster-Adaptive Feature Extraction (CAFE), a method that uses the $mwk$-means feature weights to rescale the data prior to unsupervised feature extraction. We prove that this rescaling reverses the within-cluster dispersion ordering, suppressing noisy features and amplifying informative ones. Numerous experiments conducted under controlled within-cluster noise show that CAFE consistently improves the results of traditional feature extraction methods.
Authors: Alexander Brenning, Thomas Suesse
Abstract: Reliable estimation of predictive performance is essential for spatial environmental modeling, where machine-learning models are used to generate maps from unevenly distributed observations. Standard cross-validation (CV) assumes that validation data are representative of prediction conditions across the target domain. In practice, this assumption is often violated due to preferential or clustered sampling, leading to biased performance and uncertainty estimates. We introduce a deployment-oriented validation framework based on weighted CV that aligns validation tasks with the distribution of prediction tasks across a specified domain. The framework includes importance-weighted cross-validation (IWCV) and a calibration-based approach, Target-Weighted Cross-Validation (TWCV), which uses spatially meaningful task descriptors such as environmental covariates and prediction distance. Simulation experiments show that conventional non-spatial and spatial CV strategies can exhibit substantial bias under realistic sampling designs, whereas weighted CV approaches substantially reduce this bias when validation tasks adequately cover the deployment-task space. A case study on mapping nitrogen dioxide (NO$_2$) concentrations across Germany demonstrates that standard CV can overestimate prediction error due to sampling bias, while weighted CV yields estimates more consistent with deployment conditions. The framework separates validation task generation from risk estimation and provides a practical approach for improving performance assessment in spatial prediction settings where sample distributions differ from prediction domains.
Authors: Pavel Golikov, Evgenii Opryshko, Gennady Pekhimenko, Mark C. Jeffrey
Abstract: While Large Language Models (LLMs) achieve high performance on standard mathematical benchmarks, their problem-solving abilities depend on the context and textual formatting. We introduce the Robust Reasoning Benchmark (RRB), a pipeline of 13 deterministic textual perturbations applied to AIME 2024 and AIME 2025. Evaluating 8 state-of-the-art models, we find that frontier models are largely resilient, with the notable exception of Claude, which categorically refuses many transformed prompts. Open-weights reasoning models exhibit a range of failure modes under structural noise (cognitive thrashing, tokenization breakdown, and reasoning collapse), with up to 54% average accuracy drops across perturbations and up to 100% on some. We further study one of these failure modes in isolation: attention dilution caused by the model's own chain-of-thought. By tasking models with solving multiple independent mathematical problems sequentially within a single context window, we identify Intra-Query Attention Dilution. Open-weights models ranging from 7B to 120B parameters exhibit accuracy decay on subsequent problems, suggesting that intermediate reasoning steps progressively pollute standard dense attention mechanisms. We argue that in order to achieve reliable reasoning, future architectures need to integrate explicit contextual resets within models' own chain-of-thought, leading to open research questions regarding the optimal granularity of reasoning tasks.
Authors: Amrut Nadgir, Vijay Balasubramanian, Pratik Chaudhari
Abstract: Many language tasks can be modeled as classification problems where a large language model (LLM) is given a prompt and selects one among many possible answers. We show that the classification error in such problems scales as a power law in the number of classes. This has a dramatic consequence: the prediction error can be reduced substantially by splitting the overall task into a sequence of smaller classification problems, each with the same number of classes ("degree"). This tree-structured decomposition models chain-of-thought (CoT). It has been observed that CoT-based predictors perform better when they "think", i.e., when they develop a deeper tree, thus decomposing the problem into a larger number of steps. We identify a critical threshold for the degree, below which thinking is detrimental, and above which there exists an optimal depth that minimizes the error. It is impossible to surpass this minimal error by increasing the depth of thinking.
Authors: Jiabao Brad Wang, Xiang Shi, Yiliang Yuan, Mustafa Misir
Abstract: Automated algorithm selection for continuous black-box optimization depends on representing problem information under limited probing and selecting solvers under heavy-tailed performance distributions. This paper proposes a geometric probing framework that represents each problem instance by randomly sampled multi-scale two-dimensional slices of the objective landscape. The slices are encoded with validity-mask-aware visual pooling and aggregated into an instance representation. Solver selection is then performed by a logarithmic composite score combining a learned instance-conditioned estimate with an algorithm-side empirical prior. The framework is evaluated on a standard single-objective black-box optimization benchmark suite with a portfolio of twelve solvers under instance-level, grouped random, and problem-level transfer protocols. Under the two within-suite protocols, it reduces aggregate mean relative expected running time from 30.37 for the single best solver to 3.14 and 3.61, while also improving median and upper-tail performance. Under problem-level transfer, the canonical adaptive setting improves typical and moderate-tail performance but leaves the mean dominated by rare extreme failures; a prior-heavy scoring variant mitigates this failure mode, although its robustness may be benchmark-dependent. The results suggest that coarse geometric probes provide useful solver-relevant information, while robust cross-problem selection also depends on metric-aligned decision scoring.
Authors: Azza Fadhel, The Hung Tran, Trong Nghia Hoang, Jana Doppa
Abstract: We consider the problem of offline black-box optimization, where the goal is to discover optimal designs (e.g., molecules or materials) from past experimental data. A key challenge in this setting is data scarcity: in many scientific applications, only small or poor-quality datasets are available, which severely limits the effectiveness of existing algorithms. Prior work has theoretically and empirically shown that performance of offline optimization algorithms depends on how well the surrogate model captures the optimization bias (i.e., ability to rank input designs correctly), which is challenging to accomplish with limited experimental data. This paper proposes Surrogate Learning with Optimization Bias via Synthetic Task Generation (OptBias), a meta-learning framework that directly tackles data scarcity. OptBias learns a reusable optimization bias by training on synthetic tasks generated from a Gaussian process, and then fine-tunes the surrogate model on the small data for the target task. Across diverse continuous and discrete offline optimization benchmarks, OptBias consistently outperforms state-of-the-art baselines in small data regimes. These results highlight OptBias as a robust and practical solution for offline optimization in realistic small data settings.
Authors: Jing Sun
Abstract: Temporal credit assignment in reinforcement learning has long been a central challenge. Inspired by the multi-timescale encoding of the dopamine system in neurobiology, recent research has sought to introduce multiple discount factors into Actor-Critic architectures, such as Proximal Policy Optimization (PPO), to balance short-term responses with long-term planning. However, this paper reveals that blindly fusing multi-timescale signals in complex delayed-reward tasks can lead to severe algorithmic pathologies. We systematically demonstrate that exposing a temporal attention routing mechanism to policy gradients results in surrogate objective hacking, while adopting gradient-free uncertainty weighting triggers irreversible myopic degeneration, a phenomenon we term the Paradox of Temporal Uncertainty. To address these issues, we propose a Target Decoupling architecture: on the Critic side, we retain multi-timescale predictions to enforce auxiliary representation learning, while on the Actor side, we strictly isolate short-term signals and update the policy based solely on long-term advantages. Rigorous empirical evaluations across multiple independent random seeds in the LunarLander-v2 environment demonstrate that our proposed architecture achieves statistically significant performance improvements. Without relying on hyperparameter hacking, it consistently surpasses the ''Environment Solved'' threshold with minimal variance, completely eliminates policy collapse, and escapes the hovering local optima that trap single-timescale baselines. The source code to reproduce our experiments is publicly available at https://github.com/ben-dlwlrma/Representation-Over-Routing.
URLs: https://github.com/ben-dlwlrma/Representation-Over-Routing.
Authors: Yuanda Xu, Hejian Sang, Zhengze Zhou, Ran He, Zhipeng Wang, Alborz Geramifard
Abstract: On-policy knowledge distillation (OPD) trains a student on its own rollouts under token-level supervision from a teacher. Not all token positions matter equally, but existing views of token importance are incomplete. We ask a direct question: which tokens carry the most useful learning signal in OPD? Our answer is that informative tokens come from two regions: positions with high student entropy, and positions with low student entropy plus high teacher--student divergence, where the student is overconfident and wrong. Empirically, student entropy is a strong first-order proxy: retaining $50\%$ of tokens with entropy-based sampling matches or exceeds all-token training while reducing peak memory by up to $47\%$. But entropy alone misses a second important region. When we isolate low-entropy, high-divergence tokens, training on fewer than $10\%$ of all tokens nearly matches full-token baselines, showing that overconfident tokens carry dense corrective signal despite being nearly invisible to entropy-only rules. We organize these findings with TIP (Token Importance in on-Policy distillation), a two-axis taxonomy over student entropy and teacher--student divergence, and give a theoretical explanation for why entropy is useful yet structurally incomplete. This view motivates type-aware token selection rules that combine uncertainty and disagreement. We validate this picture across three teacher--student pairs spanning Qwen3, Llama, and Qwen2.5 on MATH-500 and AIME 2024/2025, and on the DeepPlanning benchmark for long-horizon agentic planning, where Q3-only training on $<$$20\%$ of tokens surpasses full-token OPD. Our experiments are implemented by extending the OPD repository https://github.com/HJSang/OPSD_OnPolicyDistillation, which supports memory-efficient distillation of larger models under limited GPU budgets.
Authors: Stefano Colamonaco, David Debot, Pietro Barbiero, Giuseppe Marra
Abstract: Concept Bottleneck Models (CBMs) aim to improve interpretability in Deep Learning by structuring predictions through human-understandable concepts, but they provide no way to verify whether learned concepts align with the human's intended meaning, hurting interpretability. We introduce Prototype-Grounded Concept Models (PGCMs), which ground concepts in learned visual prototypes: image parts that serve as explicit evidence for the concepts. This grounding enables direct inspection of concept semantics and supports targeted human intervention at the prototype level to correct misalignments. Empirically, PGCMs achieve similar predictive performance as state-of-the-art CBMs while substantially improving transparency, interpretability, and intervenability.
Authors: Xinrun Wang, Deshun Xia, Yuxi Sun, Weijie Zhu
Abstract: Accurate trajectory prediction is fundamentally challenging due to high scene heterogeneity - the severe variance in motion velocity, spatial density, and interaction patterns across different real-world environments. However, most existing approaches typically train a single unified model, expecting a fixed-capacity architecture to generalize universally across all possible scenarios. This conventional model-centric paradigm is fundamentally flawed when confronting such extreme heterogeneity, inevitably leading to a severe generalization gap, degraded accuracy, and massive computational waste. To overcome this bottleneck, rather than refining restricted model-centric architectures, we propose selective learning, a novel scene-centric paradigm. It explicitly analyzes the characteristics of the underlying scene to dynamically route inputs to the most appropriate expert models. As a concrete implementation of this paradigm, we introduce SceneSelect. Specifically, SceneSelect utilizes unsupervised clustering on interpretable geometric and kinematic features to discover a latent scene taxonomy. A highly decoupled classification module is then trained to assign real-time inputs to these scene categories, and a highly extensible, plug-and-play scheduling policy automatically dispatches the trajectory sequence to the optimal expert predictor. Crucially, this decoupled design ensures excellent generalization capabilities, allowing seamless integration with different off-the-shelf models and robust adaptation across new datasets without requiring computationally expensive joint retraining. Extensive experiments on three public benchmarks (ETH-UCY, SDD, and NBA) demonstrate that our method consistently outperforms strong single-model and ensemble baselines, achieving an average improvement of 10.5%, showcasing the effectiveness of scene-aware selective learning.
Authors: Yongquan Yang
Abstract: This article philosophically examines how shifts in assumptions regarding the existence and non-existence of the true target (TT) give rise to new perspectives and insights for machine learning (ML)-based predictive modeling and, correspondingly, proposes a knowledge system for evaluation and learning under Democratic Supervision. By systematically analysing the existence assumption of the TT in current mainstream ML paradigms, we explicitly adopt a negative ontology perspective, positing that the TT does not objectively exist in the real world, and, grounded in this non-existence assumption, define Democratic Supervision for ML. We further present Multiple Inaccurate True Targets (MIATTs) as an instance-level realization of Democratic Supervision. Building upon MIATTs, we derive principles, for the logic-driven generation and assessment of MIATTs, a logical assessment formulation for evaluation with MIATTs, and undefinable true target learning for learning with MIATTs. Based on these components, we establish the evaluation and learning with MIATTs (EL-MIATTs) framework for ML-based predictive modelling. A real-world application demonstrates the potential of the proposed EL-MIATTs framework in supporting education and professional development for individuals, aligning with prior discussions of Democratic Supervision in the fields of education and professional development.
Authors: Bernd Frauenknecht, Lukas Kesper, Daniel Mayfrank, Henrik Hose, Sebastian Trimpe
Abstract: Predictive safety filters (PSFs) leverage model predictive control to enforce constraint satisfaction during deep reinforcement learning (RL) exploration, yet their reliance on first-principles models or Gaussian processes limits scalability and broader applicability. Meanwhile, model-based RL (MBRL) methods routinely employ probabilistic ensemble (PE) neural networks to capture complex, high-dimensional dynamics from data with minimal prior knowledge. However, existing attempts to integrate PEs into PSFs lack rigorous uncertainty quantification. We introduce the Uncertainty-Aware Predictive Safety Filter (UPSi), a PSF that provides rigorous safety predictions using PE dynamics models by formulating future outcomes as reachable sets. UPSi introduces an explicit certainty constraint that prevents model exploitation and integrates seamlessly into common MBRL frameworks. We evaluate UPSi within Dyna-style MBRL on standard safe RL benchmarks and report substantial improvements in exploration safety over prior neural network PSFs while maintaining performance on par with standard MBRL. UPSi bridges the gap between the scalability and generality of modern MBRL and the safety guarantees of predictive safety filters.
Authors: Mohammad Hossein Moslemi, Nima Hosseini Dashtbayaz, Zhimin Mei, Bissan Ghaddar, Boyu Wang
Abstract: Dataset Distillation aims to compress a large dataset into a small synthetic one while maintaining predictive performance. We show that as different demographic groups exhibit distinct predictive patterns, the distillation process struggles to simultaneously preserve informative signals for all subgroups, regardless of whether group sizes are mildly or severely imbalanced. Consequently, models trained on distilled data can experience substantial performance drops for certain subgroups, leading to fairness gaps. Crucially, these gaps do not disappear by merely correcting group imbalance, since they stem from fundamental mismatches in subgroup predictive patterns rather than from sample-size disparities alone. We therefore formally analyze the interaction between these two sources of bias and cast the solution as identifying a group-imbalance-agnostic barycenter of the predictive information that induces similar representations across all subgroups. By distilling toward this shared aggregate representation, we show that group fairness concerns can be reduced. Our approach is compatible with existing distillation methods, and empirical results show that it substantially reduces bias introduced by dataset distillation. Code is available at https://github.com/mhmoslemi/COBRA.
Authors: Sai Niranjan Ramachandran, Suvrit Sra
Abstract: Decision trees and diffusion models are ostensibly disparate model classes, one discrete and hierarchical, the other continuous and dynamic. This work unifies the two by establishing a crisp mathematical correspondence between hierarchical decision trees and diffusion processes in appropriate limiting regimes. Our unification reveals a shared optimization principle: \emph{Global Trajectory Score Matching (GTSM)}, for which gradient boosting (in an idealized version) is asymptotically optimal. We underscore the conceptual value of our work through two key practical instantiations: \treeflow, which achieves competitive generation quality on tabular data with higher fidelity and a 2\times computational speedup, and \dsmtree, a novel distillation method that transfers hierarchical decision logic into neural networks, matching teacher performance within 2\% on many benchmarks.
Authors: Jiarui Xing, Song Wang, Jian Wang
Abstract: Flow matching has become a leading framework for generative modeling, but quantifying the uncertainty of its samples remains an open problem. Existing approaches retrain the model with auxiliary variance heads, maintain costly ensembles, or propagate approximate covariance through many integration steps, trading off training cost, inference cost, or accuracy. We show that none of these trade-offs is necessary. By extending Tweedie's formula from the denoising setting to the flow matching interpolant, we derive an exact, closed-form expression for the posterior covariance at every point along the generative trajectory. The result depends on a single quantity, namely the divergence of the learned velocity field, which can be computed post-hoc on any pre-trained flow matching model, requiring no retraining and no architectural modification. For one-step generators such as MeanFlow, the same formula yields the end-to-end generation uncertainty in a single forward pass, eliminating the multi-step variance propagation required by all prior methods. Experiments on MNIST confirm that the resulting per-pixel uncertainty maps are semantically meaningful, concentrating on digit boundaries where inter-sample variation is highest, and that the scalar uncertainty score tracks actual prediction error, all at roughly $10^4 \times$ less total compute than ensembling or Monte Carlo dropout.
Authors: Sofianos Panagiotis Fotias, Vassilis Gaganis
Abstract: Bayesian Optimization is an iterative method, tailored to optimizing expensive black box objective functions. Surrogate models like Gaussian Processes, which are the gold standard in Bayesian Optimization, can be inefficient for inputs with permutation symmetries, as the most common kernels employed are better suited for vector inputs rather than unordered sets of items. Motivated by this issue, we turn to permutation invariant Bayesian Optimization for well placement in Carbon Capture and Storage projects. The high fidelity black box simulator is instructed to operate wells under group control, giving rise to permutation symmetries within injector and producer groups that cannot be exploited with standard GP kernels. In this work, our main contribution is a novel Gaussian Process kernel (GP-Perm) that encodes permutation invariance by comparing sets through a stable divergence between their induced empirical representations, and can be combined with standard kernels for additional vector-valued inputs. As a learned invariant baseline, we also consider a Deep Kernel Learning model (DKL-DS) using the Deep Sets architecture to learn a permutation-invariant embedding. We evaluate the proposed methodology across 8 use cases, comprising seven synthetic benchmarks and one realistic CCS case study (Johansen formation)
Authors: Shu-Hao Zhang, Le-Tong Huang, Xiang-Sheng Deng, Xin-Yi Zou, Chen Wu, Nan Li, Shao-Qun Zhang, Zhi-Hua Zhou
Abstract: Quantization has emerged as a mainstream approach for deploying Large Language Models (LLMs) on resource-constrained devices, yet compressing precision below 4-bit typically causes severe performance degradation or prohibitive retraining costs. In this paper, we propose EdgeRazor, a lightweight framework for LLMs via Mixed-Precision Quantization-Aware Distillation. It contains three modules: Structural Quantization with Mixed Precision for fine-grained control of bit-widths, Layer-Adaptive Feature Distillation that dynamically selects the most informative features for alignment, and Entropy-Aware KL Divergence for forward-reverse balance on both human-annotated and distilled datasets. Evaluations conducted on MobileLLM and Qwen families show that under weight-activation quantization, the 1.88-bit Qwen3-0.6B-EdgeRazor outperforms the state-of-the-art 2-bit baselines by 11.27 and surpasses the strongest 3-bit baselines by 4.38, while the quantized MobileLLM-350M-EdgeRazor requires a training budget 4-10$\times$ lower than the leading quantization-aware training method. In terms of efficiency, EdgeRazor achieves higher compression ratios at all bit-widths, and the 1.58-bit Qwen3-0.6B-EdgeRazor reduces storage from 1.11 GB to 0.19 GB while accelerating decoding by 15.16$\times$ over the 16-bit baseline. These results empirically validate the effectiveness and efficiency of EdgeRazor. The codes can be accessed from \href{https://github.com/zhangsq-nju/EdgeRazor}{GitHub} and \href{https://huggingface.co/collections/zhangsq-nju/edgerazor-nbit}{Huggingface}.
URLs: https://github.com/zhangsq-nju/EdgeRazor, https://huggingface.co/collections/zhangsq-nju/edgerazor-nbit
Authors: Yaobo Zhang
Abstract: Relative positional encodings determine which functions of query-key lag can enter the primitive attention logit. RoPE supplies a rotary phase, while ALiBi supplies an additive distance bias. Motivated by group-theoretic views of linear translation-invariant positional encodings, we study a non-semisimple case in which a complex rotary eigenvalue and a nilpotent response live in the same defective Jordan block. The resulting relative operator generates oscillatory-polynomial features such as $e^{-\gamma d}\cos(\omega d)$, $e^{-\gamma d}\sin(\omega d)$, $d e^{-\gamma d}\cos(\omega d)$, and $d e^{-\gamma d}\sin(\omega d)$, for causal lag $d=i-j\geq 0$. Thus the construction realizes a distance-modulated phase basis $d e^{i\omega d}$, rather than merely adding a separate distance channel to RoPE. We formulate Exact Jordan-RoPE as a non-semisimple one-parameter representation, give its real block form, and specify the contragredient query action required by non-orthogonal positional maps. We also distinguish this exact representation from stabilized variants whose bounded shear improves numerical behavior but breaks the exact group law. Kernel-level diagnostics and a Jordan-friendly synthetic language-model task show that the coupled Jordan basis is useful when the target contains distance-modulated phase interactions. On a small WikiText-103 byte language model, a scaled-exact variant improves over RoPE and direct-sum baselines within the Jordan family, while RoPE+ALiBi remains strongest overall. The evidence is structural rather than a broad performance claim.
Authors: Arthur Gretton, Li Kevin Wenliang, Alexandre Galashov, James Thornton, Valentin De Bortoli, Arnaud Doucet
Abstract: Recently, Deng et al. (2026) proposed Generative Modeling via Drifting (GMD), a novel framework for generative tasks. This note presents an analysis of GMD through the lens of Wasserstein Gradient Flows (WGF), i.e., the path of steepest descent for a functional in the space of probability measures, equipped with the geometry of optimal transport. Unlike previous WGF-based contributions, GMD can be thought of as directly targeting a fixed point of a specific WGF flow. We demonstrate three main results: first, that one algorithm proposed by Deng et al. (2026) corresponds to finding the limiting point of a WGF on the KL divergence, with Parzen smoothing on the densities. Second, that the algorithm actually implemented by Deng et al. (2026) corresponds to a different procedure, which bears some resemblance to the fixed point of a WGF on the Sinkhorn divergence, but lacks certain desirable properties of the latter. Third, the same same idea can be extended to the limiting point of other WGFs, including the Maximum Mean Discrepancy (MMD), the sliced Wasserstein distance, and GAN critic functions.
Authors: Ioannis Chatzis, Jason Liartis, Athanasios Voulodimos, Giorgos Stamou
Abstract: Actionable Recourse provides individuals with actions they can take to change an unfavorable classifier outcome. While useful at the instance level, it is ill-suited for global auditing and bias detection, since aggregating local actions is costly and often inconsistent. Recourse Summaries address this limitation by partitioning the population and assigning one shared action per subgroup, enabling comparison across subgroups. Designing summaries involves a fundamental trade-off between recourse effectiveness and recourse cost, which existing methods do not adequately address. We introduce Summaries of Optimal and Global Actionable Recourse (SOGAR), which formulates recourse summary learning as an optimal decision tree learning problem and finds the Pareto front -- the complete set of solutions where improving one objective necessarily worsens the other. SOGAR enables post-hoc selection of the desired trade-off without retraining. Using shallow axis-parallel decision trees and sparse leaf actions, SOGAR produces stable, low-cost, and effective recourse summaries that outperform existing approaches across effectiveness and cost metrics.
Authors: Yaniv Oren, Viliam Vadocz, Joery A. de Vries, Wendelin B\"ohmer, Matthijs T. J. Spaan, Hendrik Baier
Abstract: Monte Carlo Tree Search (MCTS) is a widely used approach for policy improvement through search with increasing popularity for real world applications. Due to the sequential and deterministic nature of its search, runtime-scaling of MCTS with parallel compute remains a major challenge. We introduce Particle MCTS (PMCTS), to our knowledge the first principled parallel MCTS algorithm which is suited for neural network evaluations and can preserve formal policy improvement guarantees. Empirically, PMCTS scales well with parallel compute and significantly outperforms the popular heuristic-based baselines across domains.
Authors: Zhiming Huang, Jamie Morgenstern, Aaron Roth, Claire Jie Zhang
Abstract: We study online multicalibration beyond the worst-case. We give a single, efficient algorithm which dynamically interpolates between benign and worst-case sequences by adaptively refining a dyadic grid of prediction values. Its error is controlled by the number of leaves in the refinement tree. Our analysis recovers the known $\widetilde O(T^{2/3})$ worst-case-optimal rate for online multicalibration, while simultaneously automatically adapting to easier instances: in the marginal stochastic setting it obtains a rate of $\widetilde O(\sqrt T)$, and for piecewise-stationary means with $J$ segments its rate is $\widetilde O(\sqrt{JT})$. More generally, the rate depends on a threshold-complexity measure of the predictable mean process relative to the group family. We show that this dependence is tight up to logarithmic factors.
Authors: Huilin Zhou, Jian Zhao, Yilu Zhong, Zhen Liang, Xiuyuan Chen, Yuchen Yuan, Tianle Zhang, Chi Zhang, Lan Zhang, Xuelong Li
Abstract: Red teaming is critical for uncovering vulnerabilities in Large Language Models (LLMs). While automated methods have improved scalability, existing approaches often rely on static heuristics or stochastic search, rendering them brittle against advanced safety alignment. To address this, we introduce Metis, a framework that reformulates jailbreaking as inference-time policy optimization within an adversarial Partially Observable Markov Decision Process (POMDP). Metis employs a self-evolving metacognitive loop to perform causal diagnosis of a target's defense logic and leverages structured feedback as a semantic gradient to refine its policy, offering enhanced interpretability through transparent reasoning traces. Extensive evaluations across 10 diverse models demonstrate that Metis achieves the strongest average Attack Success Rate (ASR) among compared methods at 89.2%, maintaining high efficacy on resilient frontier models (e.g., 76.0% on O1 and 78.0% on GPT-5-chat) where traditional baselines exhibit substantial performance degradation. By replacing redundant exploration with directed optimization, Metis reduces token costs by an average of 8.2x and up to 11.4x. Our analysis reveals that current defenses remain vulnerable to internally-steered, closed-loop reasoning trajectories under the tested settings, highlighting a critical need for next-generation defenses capable of reasoning about safety dynamically during inference.
Authors: Yonghan Yang, Ye Yuan, Zipeng Sun, Linfeng Du, Bowei He, Haolun Wu, Can Chen, Xue Liu
Abstract: Offline black-box optimization aims to discover novel designs with high property scores using only a static dataset, a task fundamentally challenged by the out-of-distribution (OOD) extrapolation problem. Existing approaches typically bifurcate into inverse methods, which struggle with the ill-posed nature of mapping scores to designs, and forward methods, which often lack the distributional expressivity to quantify uncertainty effectively. In this work, we propose SPADE (Support-Proximity Augmented Diffusion Estimation), a novel framework that reimagines forward surrogate modeling through the lens of conditional generative modeling. SPADE models the forward likelihood p(y|x) using a diffusion model, but with two critical enhancements to tailor it for optimization: (1) a Calibrated Diffusion Estimation module that enforces global consistency in statistical moments and pairwise rankings, and (2) a Support-Proximity Regularization mechanism that implicitly internalizes the data manifold constraint p(x) via kNN-based density estimation. Theoretically, we prove that our regularization is first-order equivalent to maximizing a Bayesian posterior with a valid design prior. Empirically, SPADE achieves state-of-the-art performance across Design-Bench tasks and an LLM data mixture optimization benchmark.
Authors: Yuxiang Chen, Dingli Liang, Yihang Chen, Ziqin Gong, Chenyang Le, Zhaokai Wang, Jiachen Zhu, Lingyu Yang, Jianghao Lin, Weinan Zhang, Jun Wang
Abstract: Group Relative Policy Optimisation (GRPO) enhances large language models by estimating advantages across a group of sampled trajectories. However, mapping these trajectory-level advantages to policy updates requires aggregating token-level probabilities within each sequence. Relying on a fixed aggregation mechanism for this step fundamentally limits the algorithm's adaptability. Empirically, we observe a critical trade-off: certain fixed aggregations frequently suffer from training collapse, while others fail to yield satisfactory performance. To resolve this, we propose \textbf{H\"{o}lderPO}, a generalised policy optimisation framework unifying token-level probability aggregation via the H\"{o}lder mean. By explicitly modulating the parameter $p$, our framework provides continuous control over the trade-off between gradient concentration and variance bounds. Theoretically, we prove that a larger $p$ concentrates the gradient to amplify sparse learning signals, whereas a smaller $p$ strictly bounds gradient variance. Because no static configuration can universally resolve this concentration-stability trade-off, we instantiate the framework with a dynamic annealing algorithm that progressively schedules $p$ across the training lifecycle. Extensive evaluations demonstrate superior stability and convergence over existing baselines. Specifically, our approach achieves a state-of-the-art average accuracy of $54.9\%$ across multiple mathematical benchmarks, yielding a substantial $7.2\%$ relative gain over standard GRPO and secures an exceptional $93.8\%$ success rate on ALFWorld.
Authors: Yunshu Wu, Jiayi Cheng, Longxuan Yu, Partha Thakuria, Rob Brekelmans, Evangelos E. Papalexakis, Greg Ver Steeg
Abstract: Continuous diffusion is a natural framework for non-autoregressive generation but has generally lagged behind masked discrete diffusion models (MDMs) on discrete sequence generation. We argue that the bottleneck is not continuity itself, but a representation in which denoising depends on timestep-indexed noise regimes. We introduce \emph{Discrete Stochastic Localization} (DSL), a continuous-state framework with unit-sphere token embeddings whose Bayes-optimal denoiser is invariant to the nominal signal-to-noise ratio (SNR) under the localization channel. One trained network then supports an entire family of per-token SNR paths, with endpoint masked-diffusion paths as a special case. Fine-tuning a pretrained MDLM checkpoint with DSL substantially improves distributional faithfulness (MAUVE) on OpenWebText across all step budgets from $T{=}128$ to $T{=}1024$, and the same checkpoint supports random-order autoregressive sampling, as well as a hybrid continuous-then-discrete sampler using as few as T=48 total steps -- without distillation or retraining.
Authors: Krish Sharma, Omar Naim, Soumadeep Saha, Vinija Jain, Aman Chadha, Nicholas Asher
Abstract: Recent work has promoted task-aware layer pruning as a way to improve model performance on particular tasks, as shown by TALE. In this paper, we investigate when such improvements occur and why. We show first that, across controlled polynomial regression tasks and large language models, such pruning yields no benefit on in-distribution (ID) data but consistently improves out-of-distribution (OOD) accuracy. We further show empirically that OOD inputs induce layerwise norm and pairwise-distance profiles that deviate from the corresponding ID profiles. This leads to a geometric explanation of task-aware pruning: each task induces a task-adapted geometry, characterized empirically by the representation profiles observed on ID inputs. OOD inputs can introduce a distorted version of the task-adapted geometry. Task-aware pruning identifies layers that create or amplify this distortion; by removing them, it shifts OOD representational norms and pairwise distances toward those observed on the adapted distribution. This realigns OOD inputs with the model's task-adapted geometry and improves performance. We provide causal evidence through controlled distribution shifts and residual-scaling interventions, and demonstrate consistent behavior across model scales.
Authors: John T. Robertson, Jianing Zhu, Haris Vikalo, Zhangyang Wang
Abstract: Activation steering offers a lightweight way to control LLMs without retraining, but its effectiveness varies sharply across concepts. Prior work often reads this variability as evidence that many concepts are not captured by a single steering direction. We argue instead that much of it reflects search difficulty: a useful rank-1 intervention often exists, but finding it can be expensive. We formalize rank-1 steering as a budget-constrained optimization over intervention layer and coefficient. Across concepts and model families, prompt-boundary directional alignment predicts where effective interventions occur, enabling geometry-guided search that reaches high utility with substantially fewer evaluations, reducing the trials needed to recover 95% of best-found utility by 39.8% on average across three model families. To explain why some concepts remain expensive even under better search, we introduce concept granularity, a measure of directional heterogeneity across contrastive contexts. Granularity distinguishes concepts whose difference vectors share a stable global direction from those where prompts agree locally within each input but the utility-maximizing direction rotates systematically across inputs. Higher granularity is associated with slower convergence and lower best-found performance (Pearson $r{=}0.44$ with trials-to-95%, $r{=}{-}0.46$ with best-found utility, both $p<0.001$). We present GRACE, a Granularity- and Representation-Aware Concept Engineering framework that uses activation geometry to diagnose the dominant source of steering difficulty, select the appropriate remedy, and allocate optimization effort efficiently. Our results shift the frame from "when does rank-1 fail?" to "when is rank-1 cheap and stable?", turning activation geometry from a descriptive tool into an actionable prior for LLM control.
Authors: Youngin Kim, Ray Sun, Inho Kim, Bumsoo Park, Hyun Oh Song
Abstract: Token-based transformer world models have shown strong performance in visual reinforcement learning, but often suffer from temporal inconsistency in long-horizon rollouts, including object duplication, disappearance, and transmutation. A key reason is that most existing approaches treat next-frame prediction purely as a token generation problem, without considering the persistence of tokens across time. We introduce Identifiable Token Correspondence (ITC), a decoding step for token-based transformer world models that formulates next-frame prediction as a structured assignment problem with latent token correspondence variables: each next-frame token is explained either by copying a token from the previous frame or by generating a new one. ITC leaves the transformer architecture and training procedure unchanged and can be added on top of existing backbones. Our experiments show state-of-the-art performance on 4 challenging benchmarks. The proposed method achieves a return of 72.5% and a score of 35.6% on the Craftax-classic benchmark, significantly surpassing the previous best of 67.4% and 27.9%. We release our source code on https://github.com/snu-mllab/Identifiable-Token-Correspondence.
URLs: https://github.com/snu-mllab/Identifiable-Token-Correspondence.
Authors: Arne Nix, Robert James, Lasse Borgholt, Anna B. Ekner, Lana Krumm, Julius Severin, Dan Engel, Lars Maal{\o}e, Jakob Havtorn
Abstract: After decades of use in dictation and, more recently, ambient documentation, speech is emerging as a primary modality for interacting with technology and AI in healthcare. Yet medical speech recognition remains difficult: systems must capture specialized terminology, resolve contextual ambiguity, and render measurements, abbreviations, and clinical shorthand precisely. Existing solutions are typically optimized either for general-purpose transcription or narrow dictation workflows, limiting their reliability in safety-critical settings and their usefulness for broader clinical workflows. We introduce Symphony for Speech-to-Text, a medical-grade speech recognition system for real-time streaming and batch file-based clinical use. Symphony decomposes the transcription process into specialized components for recognition, formatting, and contextual correction to optimize medical term recall while producing clinically structured text in real time and adapting across use cases. Evaluations on public benchmark and medical speech datasets show that Symphony substantially outperforms state-of-the-art systems in clinical settings while matching or exceeding them in general-domain settings, suggesting robust generalization rather than overfitting. We release a clinical benchmark dataset to support reliable validation and further progress in medical speech recognition. Symphony is available through a production-grade API for live dictation, conversational transcription, and batch audio file processing.
Authors: Egor Shvetsov, Aleksandr Serkov, Shokorov Viacheslav, Redko Dmitry, Vladislav Goloshchapov, Evgeny Burnaev
Abstract: The design of modern neural architectures has converged through incremental empirical choices, yet the mechanisms governing their training dynamics remain only partially understood. We identify and analyze a negative weight drift induced by the interaction between standard losses and positively biased activation functions. We prove that under MSE or cross-entropy loss, the gradient with respect to positive pre-activations is non-negative in expectation at initialization, driving downstream weights toward negative values during early training. The drift is intrinsic to optimization rather than data, and persists across architectures (MLP, ResNet, ViT, GPT-nano, MP-SENe) and asymmetric activation functions (ReLU, GELU, SiLU). Coupled with ReLU, weight drift produces activation sparsity reaching up to 90\% in GPT-nano. We characterize the sparsity-accuracy tradeoff across 79 configurations and identify a sharp accuracy cliff above $\sim$70\% activation sparsity. While ReLU$^2$ achieves a good sparsity--accuracy ratio in GPT-nano, it pathologically amplifies identified activation spikes in intermediate transformer layers. Clipping resolves this while preserving the representational benefits of squaring: clipped ReLU$^2$ outperforms its unclipped version, and GELU$^2$ achieves the lowest validation loss on GPT-nano. Code is available at https://github.com/On-Point-RND/BugOrFeature.
Authors: Muhammad Umer, Muhammad Ahmed Mohsin, Ahsan Bilal, Arslan Chaudhry, Andreas Haupt, Sanmi Koyejo, Emily Fox, John M. Cioffi
Abstract: Post-training has split large language model (LLM) alignment into two largely disconnected tracks. Online reinforcement learning (RL) with verifiable rewards drives emergent reasoning on math and code but depends on a programmatic verifier that cannot reach open-ended tasks, while preference optimization handles open-ended generation yet forgoes the continuous exploration that powers online RL. Closing this gap requires a verifier for open-ended quality, but a scalar reward model is the wrong shape for the job. Quality is multi-dimensional, and any scalar score is an incomplete proxy that lets online RL collapse onto whichever axis the score is most sensitive to. We turn instead to the General Preference Model (GPM), which embeds responses into $k$ skew-symmetric subspaces and represents preference as a structured, intransitivity-aware comparison. Building on this, we propose General Preference Reinforcement Learning (GPRL), which carries the $k$-way structure through to the policy update. GPRL computes per-dimension group-relative advantages, normalizes each on its own scale so no axis can dominate, and aggregates them with context-dependent eigenvalues. The same structure powers a closed-loop drift monitor that detects single-axis exploitation and corrects it on the fly by reweighting dimensions and tightening the trust region. Starting from $\texttt{Llama-3-8B-Instruct}$, GPRL reaches a length-controlled win rate of $56.51\%$ on AlpacaEval~2.0 while also outperforming SimPO and SPPO on Arena-Hard, MT-Bench, and WildBench by resisting reward hacking across extended training runs.
Authors: Mridul Gupta, Samyak Jain, Vansh Ramani, Hariprasad Kodamana, Sayan Ranu
Abstract: Graph Neural Networks (GNNs) are powerful tools for learning from graph-structured data, but their scalability is increasingly strained by the size of real-world graphs in domains like recommender systems, fraud detection, and molecular biology. Graph condensation -- the task of generating a smaller synthetic graph that retains the performance of models trained on the original -- has emerged as a promising solution. However, the dominant approach of gradient matching introduces a fundamental contradiction: it requires training on the full dataset to create the compressed version, thereby undermining the goal of efficiency. Worse still, these methods suffer from high computational overhead, poor generalization across GNN architectures, and brittle reliance on specific model configurations. Equally concerning is the community's reliance on misleading evaluation protocols such as node compression ratios, which fail to reflect true resource savings, condensation overhead, and illusory application to neural architecture search. These shortcomings are not incidental -- they are systemic, and they obstruct meaningful progress. In this position paper, we argue that graph condensation, in its current form, needs a reset. We call for moving beyond full-dataset training and model-dependent design, and instead advocate for methods that are lightweight, architecture-agnostic, and practically deployable. By identifying key methodological flaws and outlining concrete research directions, we aim to reorient the field toward approaches that deliver on the true promise of condensation: efficient, generalizable, and usable GNN training at scale.
Authors: Bariscan Bozkurt, Efe Ali Gorguner, Francesco Innocenti, Rafal Bogacz
Abstract: Blind source separation (BSS) is a natural framework for studying how latent causes may be recovered from sensory mixtures, but deriving online and biologically plausible algorithms for structured (i.e., constrained to known domains) and potentially correlated sources remains challenging. Recent work has derived neural networks for BSS from maximization of an entropy measure, yet its online implementations involve complex and nonlocal recurrent dynamics. Motivated by this perspective, we propose Predictive Entropy Maximization, which achieves competitive performance in BSS, using only local weight updates. The method employs a close approximation of an entropy measure, yielding an objective function with easily interpretable components. Minimizing this objective leads to a predictive neural architecture in which feedforward synapses follow an error-driven rule (that can be realized through dendritic mechanisms), lateral inhibitory connections are learned with local Hebbian plasticity, and source-domain constraints are enforced through simple output nonlinearities. We derive explicit spectral bounds on the surrogate error, characterizing when the approximation is accurate. Empirically, Predictive Entropy Maximization remains robust under increasing source correlation and observation noise, outperforms biologically plausible algorithms that rely on stronger independence or decorrelation assumptions, and remains competitive with exact determinant- and correlative-information-based baselines. These results show how local plasticity and adaptive lateral inhibition can emerge from maximizing a regularized second-order entropy over structured source domains. Our implementation code is available at https://github.com/BariscanBozkurt/Predictive-Entropy-Maximization.
URLs: https://github.com/BariscanBozkurt/Predictive-Entropy-Maximization.
Authors: Taijie Chen, Rui Su, Siyuan Feng, Laoming Zhang, Hongyang Zhang, Haijiao Wang, Zhaofeng Ma, Jintao Ke, Li Ma
Abstract: Ride-hailing platforms like DiDi Chuxing operate in highly dynamic environments where balancing driver supply and passenger demand is critical. Although driver-side subsidies serve as a primary lever to align these forces and improve key KPIs like completed rides (\texttt{Rides}) and gross merchandise value (\texttt{GMV}), optimizing them in production requires simultaneously meeting three constraints: (i) responsiveness to stochastic shocks, (ii) strict subsidy-rate caps, and (iii) low-latency execution at city scale. These requirements rule out expensive per-order optimization, calling for a forward-looking, constraint-aware city-level controller for online sequential decision making. To meet these requirements, we introduce D$^3$-Subsidy (Dynamic Driver-side Diffusion-based Subsidy), a hierarchical diffusion-based framework for deployable city-wide subsidy control. To bridge the train-inference gap, D$^3$-Subsidy employs a prefix-conditioned diffusion model that samples plausible future trajectories from immutable historical observations, ensuring the training protocol aligns with the fixed-history nature of online deployment. These generated plans are then decoded by a context-conditioned inverse module into low-dimensional city-level control signals. For scalable execution, we bridge the gap between city-level planning and fine-grained dispatch via a Lagrangian-dual-derived mapping, which embeds subsidy-rate caps directly into order-driver incentives without iterative optimization. Additionally, a multi-city pretraining strategy with parameter-efficient fine-tuning enables robust transfer across heterogeneous cities. Extensive offline evaluations demonstrate that D$^3$-Subsidy improves \texttt{Rides} and \texttt{GMV} while enhancing cap compliance, and a real-world A/B test confirms significant uplift while keeping budget-related violation metrics within operational thresholds.
Authors: Alexander Goldberg, Giulia Fanti, Nihar B. Shah
Abstract: Competitive selection processes, from scientific funding to admissions and hiring, use evaluations to score candidates, and eventually choose a subset of them based on those scores. Recently, many organizations have adopted partial lotteries, which randomize selection based on evaluation scores. However, existing lottery designs are inherently unstable, as a small change to a single candidate's score can cause large shifts in their selection probabilities. This instability undermines a key goal of lotteries: reducing the influence of fine-grained score distinctions near the decision boundary. We propose smoothness as a design principle for partial lotteries, formalizing it as a Lipschitz condition on the mapping from review scores over candidates to selection probabilities. We introduce the Clipped Linear Lottery, a simple mechanism in which selection probabilities scale linearly with estimated quality between an upper threshold, above which we always accept, and a lower threshold, below which we always reject. We prove that the Clipped Linear Lottery's worst-case regret matches a lower bound for any smooth selection rule up to a factor of $(1 - k/n)$, where $k/n$ is the acceptance rate. We compare smooth selection to other stability notions like Individual Fairness and Differential Privacy, showing that the Clipped Linear Lottery achieves a better smoothness-regret tradeoff than alternatives. Experiments on real peer review data from ICLR 2025, NeurIPS 2024, and the Swiss National Science Foundation demonstrate that existing lottery designs are highly unstable in practice even under perturbations to a single score. Our experiments also confirm the tightness of our theoretical analysis and show that our proposed Clipped Linear Lottery achieves a better smoothness-utility tradeoff than alternatives in practice.
Authors: Xiongbin Wu, Zhihao Luo, Shanzhe Lei, Lechao Zhang, Xuhong Wang, Jie Yang, Zhonglong Zheng, Yuanjie Zheng, Xin Tan, Wei Liu
Abstract: Recently, vision-language model (VLM) agents have shown promising progress in open-world tasks, where successful task completion often requires multiple turns of visual perception and action execution. However, existing methods still rely primarily on Supervised Fine-Tuning (SFT) with expert demonstrations, while the advanced reinforcement learning (RL) algorithm, specifically Group Relative Policy Optimization (GRPO), has not been effectively employed for multi-turn RL in these tasks because standard GRPO requires full trajectories as training samples which leads to excessively long context and noise. To address this issue, we propose GROW, a RL framework for open-world VLM agents that decomposes collected trajectories into state-action samples, and computes advantages between these samples rather than treating a full trajectory as a single entity. We further provide a surrogate analysis indicating that, even though the grouped samples are conditioned on different local states rather than an identical prompt context, the objective can preserve the core relative policy optimization signal of GRPO under simplifying assumptions. Experiments on more than 800 Minecraft tasks show that our method achieves state-of-the-art (SOTA) performance, demonstrating the effectiveness of our proposed RL framework for open-world VLM agents.
Authors: Panagiotis Koromilas, Theodoros Giannakopoulos, Mihalis A. Nicolaou, Yannis Panagakis
Abstract: Supervised classification has a theoretical optimum, Neural Collapse (NC), yet neither of its two dominant paradigms reaches it in practice. Cross entropy (CE) leaves radial degrees of freedom unconstrained and converges to a degenerate geometry, while supervised contrastive learning (SCL) drives features toward NC during pretraining but discards this structure in a post hoc linear probing phase. We show that both paradigms are different appearances of the same method that contrasts prototypes on the unit hypersphere, and that closing the gap requires fixing each at its point of failure. From the CE side, we propose NTCE and NONL, two normalized losses that import contrastive optimization's missing ingredients into classifier learning: a large effective negative set and decoupled alignment and uniformity terms. From the SCL side, we prove that SCL's objective already optimizes throughout training for a principled classifier whose weights are the class mean embeddings, making linear probing both redundant and harmful. Empirically, on four benchmarks including ImageNet-1K, NTCE and NONL surpass CE accuracy, closely approximate NC ($\geq 95\%$), and match CE's converged NC on 4/5 metrics in under $7.5\%$ of its iterations, while SCL with fixed prototypes matches linear probing without the hours-long classifier training phase. The learned geometry yields $+5.5\%$ mean relative improvement in transfer learning, up to $+8.7\%$ under severe class imbalance, and improved robustness to corruptions on ImageNet-C. Our work recasts supervised learning as prototype learning on the hypersphere, with NC reached by design.
Authors: Zhijie Yang, Min Tang, Peng Du, Qiang Zou
Abstract: Airfoil shape design is a fundamental task in aerospace engineering, with a direct impact on flight stability and fuel consumption. Deep learning has recently emerged as a promising tool for this task, but existing deep generative approaches remain limited in both geometric validity and physical controllability. They offer little control over the generated shapes, yielding invalid geometries, and they typically do not condition effectively on aerodynamic performance. To address these issues, this paper proposes AirfoilGen, a valid-by-construction and performance-aware latent diffusion model for airfoil. It first introduces a novel airfoil representation scheme, the circle sweeping representation, to constrain the generative process so that output shapes respect essential airfoil characteristics. It then enables explicit control over aerodynamic performance (e.g., lift and drag coefficients) by operating in a learned latent space: a transformer model encodes airfoil shapes into vector embeddings, and a conditional diffusion model denoises Gaussian noise into these latent embeddings while incorporating target aerodynamic performance. In addition, this paper presents a new dataset of over 200,000 airfoils, which is substantially larger than the widely used UIUC airfoil dataset (1,650 airfoils) and more suitable for training modern deep generative models. Experiments demonstrate that AirfoilGen enables airfoil generation with far greater geometric validity and aerodynamic performance controllability than previously achievable, with an average performance-conditioning accuracy of 98.41%.
Authors: Youngjoon Park
Abstract: Random forests aggregate trees by averaging leaf class distributions with uniform per-tree weight, which flattens local tree expertise into a globally averaged boundary. To refine this boundary locally, we look for signals in how individual trees navigate the feature space around each sample. We observe that the structural pattern of each tree's root-to-leaf decision path -- where and how often the dominant class label flips along it -- carries such a signal, conditional on the tree's final decision and the regional context where the sample lies. We propose a class-conditional ratio weighting that exploits this signal while guaranteeing zero expected class bias by construction, refining the ensemble decision near the boundary without trading one class against another. On 30 binary classification benchmarks (30 repeats), the proposed method yields a statistically significant accuracy improvement over RF (Wilcoxon p = 0.007), while weighted RF and the KNORA family do not reach significance (all p > 0.5). The gain is small ({\Delta}acc = +0.0011) but consistent across forest sizes from 100 to 1,000 trees, and regresses neither class (majority 0/30, minority 2/30) -- unlike KNORA-Eliminate, which lifts minority recall at the cost of majority regressions on 8/30 datasets.
Authors: Adda Akram Bendoukha, Heber Hwang Arcolezi, Nesrine Kaaniche, Aymen Boudguiga
Abstract: Federated Learning enables collaborative model training across decentralized data sources without data transfer. Averaging-based FL is limited by the presence of non-IID data, which negatively impacts convergence speed and final model accuracy. Conventional alternatives suffer from significant inefficiency. Clients with noisy or highly heterogeneous data contribute expensive gradient computations that are either discarded or heavily down-weighted before aggregation. These reactive approaches waste computational resources, require more communication rounds and result in unnecessary privacy exposure. In this paper, we propose a proactive client selection framework that aims to find an optimal federation of clients whose combined data match utility and fairness requirements before training begins. Our method relies on mutual information computed from differentially private contingency tables to quantify the relevance of cross-feature correlations in the union dataset. We introduce a Potential Federation Loss (PFL) over the set of fixed-size federations, which balances two objectives. Maximizing collective data utility while ensuring fair cross-features correlations to prevent group unfairness. Client selection is expressed as an optimal subset search problem over the PFL objective, which we solve using simulated annealing under strong differential privacy guarantees for clients' local statistics. Experimental results on four benchmarks show faster, fairer, and more accurate models trained on optimally found federations, compared to uniform sampling, even when state-of-the-art adaptive aggregation or sampling strategies are employed.
Authors: Marcel Hussing, Liv G. d'Aliberti, Claas Voelcker, Benjamin Eysenbach, Eric Eaton
Abstract: Reinforcement learning (RL) often exhibits high variance across training runs, leading to unreliable performance and posing a major challenge to deployment in real-world domains. In this work, we address the challenge of cross-run policy divergence by formalizing the problem of behavior-consistent RL, where the objective is to obtain policies that are both high-performing and distributionally similar across training runs. Our key observation is that maximum-entropy RL provides a direct mechanism for controlling behavioral divergence by anchoring runs to a common (uniform) prior. We prove that, for Boltzmann policies, choosing the temperature proportional to $Q$-function disagreement bounds the pairwise KL divergence between the induced policies. However, we also show that na\"ively increasing entropy might impair policy optimization while amplifying off-policy error. Building upon these observations, we propose $Q$-value Expectile Disagreement (QED), a state-dependent temperature schedule that uses double-critic disagreement as a single-run proxy for cross-run disagreement. Empirically, we demonstrate that across 18 continuous-control tasks, QED reduces across-run divergence by two orders of magnitude without sacrificing performance, resulting in a considerable reduction in return variance at modest sample-efficiency costs.
Authors: Zeyuan Wang, Da Li, Yulin Chen, Yuehu Gong, Yanming Guo, Ye Shi, Liang Bai, Tianyuan Yu, Yanwei Fu
Abstract: Online off-policy reinforcement learning (RL) is shaped by two coupled choices: the policy class and the update rule. Gaussian policies are fast and have tractable entropy, but struggle with multimodal action distributions. Generative policies are more expressive, but often require iterative sampling or lack tractable entropy estimates. On the optimisation side, SAC-style soft policy improvement and mirror descent (MD) can be viewed as minimising different KL divergences: the former moves the policy towards a value-induced Boltzmann distribution, while the latter regularises each update against the previous policy. Combining entropy regularisation with an MD constraint is therefore attractive, as it supports exploration while stabilising policy improvement; however, the resulting target can be multimodal and is poorly matched by unimodal Gaussian policies. We propose Stochastic MeanFlow Policies (SMFP), a one-step generative policy class that maps Gaussian noise to actions through a MeanFlow transformation. This stochastic reparameterisation yields a tractable entropy surrogate and allows MeanFlow policies to be trained within off-policy mirror descent under a unified objective for exploratory yet stable improvement. Across seven MuJoCo benchmarks, SMFP improves over Gaussian and generative baselines while retaining single-step inference efficiency.
Authors: Nuo Xu, Kaleel Mahmood, Haowen Fang, Ethan Rathbun, Caiwen Ding, Wujie Wen
Abstract: Spiking neural networks (SNNs) have attracted much attention for their high energy efficiency and recent advances in classification performance. However, unlike traditional deep learning approaches, the study of SNN robustness to adversarial examples remains relatively underdeveloped. In this work, we advance the adversarial attack side of SNNs through three contributions. First, we show that successful white-box adversarial attacks on SNNs are highly dependent on the underlying surrogate gradient estimator, even for adversarially trained SNNs. Second, using the best single surrogate gradient estimator, we analyze the transferability of adversarial attacks across SNNs, Vision Transformers (ViTs) and CNNs. Our analysis reveals two key gaps: no existing white-box attack exploits multiple surrogate gradient estimators for SNNs, and no single-model attack reliably generates adversarial examples that simultaneously fool both SNN and non-SNN models. For our third contribution, we develop the Mixed Dynamic Spiking Estimation (MDSE) attack to address these issues. MDSE uses a dynamic gradient estimation scheme to fully exploit multiple surrogate gradient estimator functions and generates adversarial examples capable of fooling SNN and non-SNN models simultaneously. MDSE is up to 91.4% more effective on SNN/ViT model ensembles and provides a 3x boost on adversarially trained SNN ensembles compared to conventional white-box attacks like Auto-PGD. Experiments cover three datasets (CIFAR-10, CIFAR-100, ImageNet) and nineteen classifier models (seven per CIFAR dataset, five for ImageNet). Our implementation of MDSE and the evaluated models is publicly available at https://github.com/nuoxuxxx/attacking-the-spike-mdse.
Authors: Prasad Gabbur
Abstract: We propose using a Gaussian Mixture Model (GMM) as reverse transition operator (kernel) within the Denoising Diffusion Implicit Models (DDIM) framework, which is one of the most widely used approaches for accelerated sampling from pre-trained Denoising Diffusion Probabilistic Models (DDPM). Specifically we match the first and second order central moments of the DDPM forward marginals by constraining the parameters of the GMM. We see that moment matching is sufficient to obtain samples with equal or better quality than the original DDIM with Gaussian kernels. We provide experimental results with unconditional models trained on CelebAHQ and FFHQ, class-conditional models trained on ImageNet, and text-to-image generation using Stable Diffusion v2.1 on COYO700M datasets respectively. Our results suggest that using the GMM kernel leads to significant improvements in the quality of the generated samples when the number of sampling steps is small, as measured by FID and IS metrics. For example on ImageNet 256x256, using 10 sampling steps, we achieve a FID of 6.94 and IS of 207.85 with a GMM kernel compared to 10.15 and 196.73 respectively with a Gaussian kernel. Further, we derive novel SDE samplers for rectified flow matching models and experiment with the proposed approach. We see improvements using both 1-rectified flow and 2-rectified flow models. Code: https://github.com/pgabbur/ddim-gmm.
Authors: Hengrui Cai, Shengjie Liu, Rui Song
Abstract: This paper introduces a causal attribution model to enhance the interpretability of large language models (LLMs) and improve their causal reasoning abilities via precise fine-tuning. Despite LLMs' proficiency in diverse tasks, their reasoning processes often remain black box, and thus restrict targeted enhancement. We propose a novel causal attribution model that utilizes "do-operators" for constructing interventional scenarios, allowing us to quantify the contribution of different components in LLMs's causal reasoning process systematically. By assessing the proposed attribution scores through causal discovery tasks across various domains, we demonstrate that LLMs' effectiveness in causal discovery heavily relies on provided context and domain-specific knowledge but can also utilize numerical data with limited calculations in correlation, not causation. This motivates the proposed fine-tuned LLM for pairwise causal discovery, effectively and correctly leveraging both knowledge and numerical information.
Authors: Riyaz Ahuja, Jeremy Avigad, Prasad Tetali, Sean Welleck
Abstract: Large language models (LLMs) have been used to generate formal proofs of mathematical theorems in proofs assistants such as Lean. However, we often want to optimize a formal proof with respect to various criteria, depending on its downstream use. For example, we may want a proof to adhere to a certain style, or to be readable, concise, or modularly structured. Having suitably optimized proofs is also important for learning tasks, especially since human-written proofs may not optimal for that purpose. To this end, we study a new problem of automated proof optimization: rewriting a proof so that it is correct and optimizes for an arbitrary criterion, such as length or readability. As a first method for automated proof optimization, we present ImProver, a large-language-model agent that rewrites proofs to optimize arbitrary user-defined metrics in Lean. We find that naively applying LLMs to proof optimization falls short, and we incorporate various improvements into ImProver, such as the use of symbolic Lean context in a novel Chain-of-States technique, as well as error-correction and retrieval. We test ImProver on rewriting real-world undergraduate, competition, and research-level mathematics theorems, finding that ImProver is capable of rewriting proofs so that they are substantially shorter, more modular, and more readable.
Authors: Zeyu Bian, Zhengling Qi, Lan Wang
Abstract: We study offline dynamic pricing when historical data provide incomplete coverage of the price space such that some candidate prices, including the optimal one, may be entirely unobserved. This setting is common in practice and is especially difficult in dynamic environments. Existing offline reinforcement learning methods typically rely on full or partial coverage and can therefore perform poorly in such settings. We develop a nonparametric partial identification framework for offline dynamic pricing that exploits the monotonicity of demand in price to bound the value of unobserved prices. Within this framework, we formulate two dynamic decision rules: a pessimistic policy that maximizes worst-case revenue and an opportunistic policy that minimizes worst-case regret. These rules are tailored to a sequential no-coverage environment and are not direct extensions of existing pessimistic offline RL or static opportunistic approaches. We establish finite-sample regret bounds for both policies, recovering the standard rate when the optimal price is covered and quantifying the additional cost when it is not. We also develop efficient algorithms and show, through simulations and an airline ticket application, that our methods outperform standard offline RL baselines in no-coverage settings. Managerially, the framework provides a practical mapping from a firm's risk posture to its pricing policy: firms seeking revenue stability and downside protection should prefer the pessimistic policy, whereas firms willing to bear measured risk for potential gains from underexplored prices should prefer the opportunistic policy.
Authors: Jakub Onysk, Quentin J. M. Huys
Abstract: Characterising how we verbalise our feelings is central to psychological assessment and intervention, yet the mapping between narrative and affective state remains poorly understood. Across two large studies (n=1257), we parameterised the structure and dynamics of depressive states by quantifying participants' internal narratives through large-language-model representations and their subspaces. In Study 1, we found verbal descriptions of symptom-specific thoughts captured granular information predictive of standardised, self-reported depression scores. Critically, we show preserving the specific covariance between symptoms is essential for construct validity, suggesting high-dimensional text representations mirror the latent geometry of the disorder. Study 2 probed the temporal dynamics of this relationship as participants engaged with emotional narratives. We found quantified changes in internal narratives led to changes in self-report, while the baseline narrative severity predicted the magnitude of subsequent affective change. By framing affect as a computational state, our results highlight its core, therapeutically pertinent functions: constraining the structure of internal narratives and integrating context to shape self-report.
Authors: Weichen Wu, Yuting Wei, Alessandro Rinaldo
Abstract: We establish novel and general high-dimensional concentration inequalities and Berry-Esseen bounds for vector-valued martingales induced by Markov chains. We apply these results to analyze the performance of the Temporal Difference (TD) learning algorithm with linear function approximations, a widely used method for policy evaluation in Reinforcement Learning (RL), obtaining a sharp high-probability consistency guarantee that matches the asymptotic variance up to logarithmic factors. Furthermore, we establish an $O(T^{-\frac{1}{4}}\log T)$ distributional convergence rate for the Gaussian approximation of the TD estimator, measured in convex distance. Our martingale bounds are of broad applicability, and our analysis of TD learning provides new insights into statistical inference for RL algorithms, bridging gaps between classical stochastic approximation theory and modern RL applications.
Authors: Jan Mielniczuk, Wojciech Rejchel, Pawe{\l} Teisseyre
Abstract: We study estimation of a class prior for unlabeled target samples which possibly differs from that of source population. Moreover, it is assumed that the source data is partially observable: only samples from the positive class and from the whole population are available (PU learning scenario). We introduce a novel direct estimator of a class prior which avoids estimation of posterior probabilities in both populations and has a simple geometric interpretation. It is based on a distribution matching technique together with kernel embedding in a Reproducing Kernel Hilbert Space and is obtained as an explicit solution to an optimisation task. We establish its asymptotic consistency as well as an explicit non-asymptotic bound on its deviation from the unknown prior, which is calculable in practice. We study finite sample behaviour for synthetic and real data and show that the proposal works consistently on par or better than its competitors.
Authors: Qinghua (Devon), Ding, Venkat Anantharam
Abstract: Reinforced random walks (RRWs), including vertex-reinforced random walks (VRRWs) and edge-reinforced random walks (ERRWs), model random walks where the transition probabilities evolve based on prior visitation history~\cite{mgr, fmk, tarres, volkov}. These models have found applications in various areas, such as network representation learning~\cite{xzzs}, reinforced PageRank~\cite{gly}, and modeling animal behaviors~\cite{smouse}, among others. However, statistical estimation of the parameters governing RRWs remains underexplored. This work focuses on estimating the initial edge weights of ERRWs using observed trajectory data. Leveraging the connections between an ERRW and a random walk in a random environment (RWRE)~\cite{mr, mr2}, as given by the so-called ``magic formula", we propose an estimator based on the generalized method of moments. To analyze the sample complexity of our estimator, we exploit the hyperbolic Gaussian structure embedded in the random environment to bound the fluctuations of the underlying random edge conductances.
Authors: Haixin Wang, Ruoyan Li, Fred Xu, Fang Sun, Kaiqiao Han, Zijie Huang, Ching Chang, Xiao Luo, Wei Wang, Yizhou Sun
Abstract: Data-driven modeling of fluid dynamics has advanced rapidly with neural PDE solvers, yet a fair and strong benchmark remains fragmented due to the absence of unified PDE datasets and standardized evaluation protocols. Although architectural innovations are abundant, fair assessment is further impeded by the lack of clear disentanglement between spatial, temporal and loss modules. In this paper, we introduce FD-Bench, the first fair, modular, comprehensive and reproducible benchmark for data-driven fluid simulation. FD-Bench systematically evaluates 85 baseline models across 10 representative flow scenarios under a unified experimental setup. It provides four key contributions: (1) a modular design enabling fair comparisons across spatial, temporal, and loss function modules; (2) the first systematic framework for direct comparison with traditional numerical solvers; (3) fine-grained generalization analysis across resolutions, initial conditions, and temporal windows; and (4) a user-friendly, extensible codebase to support future research. Through rigorous empirical studies, FD-Bench establishes the most comprehensive leaderboard to date, resolving long-standing issues in reproducibility and comparability, and laying a foundation for robust evaluation of future data-driven fluid models. The code is open-sourced at https://github.com/WillDreamer/FD-Bench.
Authors: Tamas Spisak, Karl Friston
Abstract: Attractor dynamics are a hallmark of many complex systems, including the brain. Understanding how such self-organizing dynamics emerge from first principles is crucial for advancing our understanding of neuronal computations and the design of artificial intelligence systems. Here we formalize how attractor networks emerge from the free energy principle applied to a universal partitioning of random dynamical systems. Our approach obviates the need for explicitly imposed learning and inference rules and identifies emergent, but efficient and biologically plausible inference and learning dynamics for such self-organizing systems. These result in a collective, multi-level Bayesian active inference process. Attractors on the free energy landscape encode prior beliefs; inference integrates sensory data into posterior beliefs; and learning fine-tunes couplings to minimize long-term surprise. Analytically and via simulations, we establish that the proposed networks favor approximately orthogonalized attractor representations, a consequence of simultaneously optimizing predictive accuracy and model complexity. These attractors efficiently span the input subspace, enhancing generalization and the mutual information between hidden causes and observable effects. Furthermore, while random data presentation leads to symmetric and sparse couplings, sequential data fosters asymmetric couplings and non-equilibrium steady-state dynamics, offering a natural generalization of conventional Boltzmann Machines. Our findings offer a unifying theory of self-organizing attractor networks, providing novel insights for AI and neuroscience.
Authors: Yan Jiang, Hao Zhou, Lizhong GU, Tianlong Li, Ruinan Jin, Wanqi Zhou, Ai Han
Abstract: Large Language Models (LLMs) increasingly act as function-call agents that invoke external tools to tackle tasks beyond their static knowledge. However, they typically invoke tools one at a time without a global view of task structure. As tools often depend on one another, this leads to error accumulation and poor scalability, particularly when scaling to hundreds or thousands of tools. To address these limitations, we propose NaviAgent, an explicit bilevel architecture that decouples task planning from tool execution through graph-based modeling of tool relations. At the planning level, the LLM-based agent decides whether to respond directly, clarify intent, or retrieve and execute a toolchain independent of inter-tool complexity. At the execution level, a Tool World Navigation Model (TWNM) encodes structural and behavioral relations among tools, steering the agent to compose scalable and robust invocation sequences. Incorporating feedback from real tool interactions, NaviAgent achieves closed-loop alignment between planning and execution, enabling adaptive navigation in large-scale tool ecosystems. Evaluations on API-Bank and ToolBench show consistent improvements in task success rate (TSR), with TWNM yielding an average gain of 13.1 points on complex tasks. Further tests on 50 real APIs across 7 domains show consistent gains of 4.3--12.0 points, with fewer steps and latency, demonstrating robust generalization under real-world dynamics.
Authors: Mingkai Deng, Jinyu Hou, Zhiting Hu, Eric Xing
Abstract: What does it mean to plan? Current agentic systems, whether scaffolded workflows or end-to-end policies, rely on reactive decision-making: selecting the next action via a fixed procedure with at most undifferentiated adaptive computation (e.g., chain-of-thought) lacking explicit modeling of future outcomes. This limits generalizability, as each new task demands re-engineering rather than transfer of shared reasoning capacity. Humans, by contrast, plan by mentally simulating consequences of candidate actions within an internal world model, a capacity known as simulative reasoning (System II) that supports flexible, goal-directed behavior across diverse contexts. We argue that simulative reasoning through a world model provides a general-purpose planning mechanism for agentic systems, improving upon reactive policies (System I) by grounding decisions in predicted future states rather than pattern-matched responses. To verify this, we introduce SiRA (Simulative Reasoning Architecture), a goal-oriented architecture instantiating simulative reasoning using an LLM-based world model with natural-language belief states, while remaining model-agnostic. We evaluate across three qualitatively distinct task categories: constrained navigation, multi-hop information aggregation, and general instruction following, in a web-browser environment. Across all categories, simulative reasoning achieves up to 124% higher task completion rates than a matched reactive baseline, and increases constrained navigation success from 0% to 32.2% compared to a representative open-web agent. The persistent advantage across distinct task types suggests the benefit stems from generalizable counterfactual evaluation rather than task-specific tuning.
Authors: Alexander Tyurin
Abstract: We study first-order methods for convex optimization problems with functions $f$ satisfying the recently proposed $\ell$-smoothness condition $||\nabla^{2}f(x)|| \le \ell\left(||\nabla f(x)||\right),$ which generalizes the $L$-smoothness and $(L_{0},L_{1})$-smoothness. While accelerated gradient descent AGD is known to reach the optimal complexity $O(\sqrt{L} R / \sqrt{\varepsilon})$ under $L$-smoothness, where $\varepsilon$ is an error tolerance and $R$ is the distance between a starting and an optimal point, existing extensions to $\ell$-smoothness either incur extra dependence on the initial gradient, suffer exponential factors in $L_{1} R$, or require costly auxiliary sub-routines, leaving open whether an AGD-type $O(\sqrt{\ell(0)} R / \sqrt{\varepsilon})$ rate is possible for small-$\varepsilon$, even in the $(L_{0},L_{1})$-smoothness case. We resolve this open question. Leveraging a new Lyapunov function and designing new algorithms, we achieve $O(\sqrt{\ell(0)} R / \sqrt{\varepsilon})$ oracle complexity for small-$\varepsilon$ and virtually any $\ell$. For instance, for $(L_{0},L_{1})$-smoothness, our bound $O(\sqrt{L_0} R / \sqrt{\varepsilon})$ is provably optimal in the small-$\varepsilon$ regime and removes all non-constant multiplicative factors present in prior accelerated algorithms.
Authors: Rui-Yang Zhang, Lachlan Astfalck, Edward Cripps, David S. Leslie, Henry B. Moss
Abstract: We introduce a formal active learning methodology for guiding the placement of Lagrangian observers to infer time-dependent vector fields -- a key task in oceanography, marine science, and ocean engineering -- using a physics-informed spatio-temporal Gaussian process surrogate model. The majority of existing placement campaigns either follow standard `space-filling' designs or relatively ad-hoc expert opinions. A key challenge to applying principled active learning in this setting is that Lagrangian observers are continuously advected through the vector field, so they make measurements at different locations and times. It is, therefore, important to consider the likely future trajectories of placed observers to account for the utility of candidate placement locations. To this end, we present BALLAST: Bayesian Active Learning with Look-ahead Amendment for Sea-drifter Trajectories. We observe noticeable benefits of BALLAST-aided sequential observer placement strategies on both synthetic and high-fidelity ocean current models. In addition, we developed a novel GP inference method -- the Vanilla SPDE Exchange (VaSE) -- to boost the GP posterior sampling efficiency, which is also of independent interest.
Authors: Jon Saad-Falcon, Avanika Narayan, Hakki Orhun Akengin, J. Wes Griffin, Herumb Shandilya, Adrian Gamarra Lafuente, Medhya Goel, Rebecca Joseph, Shlok Natarajan, Etash Kumar Guha, Shang Zhu, Ben Athiwaratkun, John Hennessy, Azalia Mirhoseini, Christopher R\'e
Abstract: Large language model (LLM) queries are predominantly processed by frontier models in centralized cloud infrastructure. Demand growth strains this paradigm faster than providers can scale. Two advances create an opportunity to rethink it: small, local LMs (<=20B active parameters) now achieve competitive performance to frontier models on many tasks, and local accelerators (e.g., Apple M4 Max) can host these models at interactive latencies. This raises the question: can local inference viably redistribute demand from centralized infrastructure? This requires measuring both whether local LMs can accurately answer real-world queries and whether they can do so efficiently on power-constrained devices (e.g., laptops). We propose intelligence per watt (IPW), task accuracy per unit of power, as a unified metric for the capability and efficiency of local inference across model-accelerator configurations. We evaluate 20+ state-of-the-art local LMs, 8 hardware accelerators (local and cloud), and 1M real-world single-turn chat and reasoning queries. For each query, we measure accuracy (local LM win rate against frontier models), energy, latency, and power. We find three key results. First, local LMs successfully answer 88.7% of these queries, with accuracy varying by domain. Second, longitudinal analysis from 2023-2025 shows IPW improved 5.3x, driven by both algorithmic and accelerator advances, with locally-serviceable query coverage rising from 23.2% to 71.3%. Third, local accelerators achieve at least 1.4x lower IPW than cloud accelerators running identical models, revealing significant headroom for local accelerator optimization. These findings demonstrate that local inference can meaningfully redistribute demand from centralized infrastructure for a substantial subset of queries, with IPW serving as the critical metric for tracking this transition.
Authors: Chiheng Lou, Sheng Qi, Rui Kang, Yong Zhang, Chen Sun, Pengcheng Wang, Xuanzhe Liu, Xin Jin
Abstract: Deploying multiple models within shared GPU clusters is a key strategy to improve resource efficiency in large language model (LLM) serving. Existing multi-LLM serving systems improve GPU utilization at the cost of degraded inference performance, particularly time-to-first-token (TTFT). We attribute this degradation to the lack of awareness regarding future workload characteristics. In contrast, recent analyses have shown the strong periodicity and long-term predictability of real-world LLM serving workloads. In this paper, we propose one-for-many GPU prewarming, which proactively loads parameters from multiple models onto GPUs based on workload forecasts. These prewarmed weights enable the system to promptly instantiate serving instances upon encountering request bursts. We design and implement WarmServe, a multi-LLM serving system incorporating three key techniques: (1) a model placement algorithm that optimizes prewarming decisions to minimize cross-model prewarming interference, (2) a KV cache reservation strategy that repurposes idle KV cache space on running GPUs for prewarming new models, and (3) an efficient GPU memory switching mechanism for tensor management. Evaluation on real-world datasets shows that WarmServe reduces tail TTFT by up to 50.8$\times$ compared to the state-of-the-art autoscaling-based system, while supporting up to 2.5$\times$ higher request throughput than the GPU-sharing system.
Authors: Tobias von Arx, Niels M\"undler, Mark Vero, Maximilian Baader, Martin Vechev
Abstract: As large language models (LLMs) see wide adoption in software engineering, the reliable assessment of the correctness and security of LLM-generated code is crucial. Notably, prior work showed that LLMs are prone to generating code with security vulnerabilities, highlighting that security is often overlooked. These insights were enabled by specialized benchmarks crafted by security experts through significant manual effort. However, benchmarks (i) inevitably end up contaminating training data, (ii) must extend to new tasks to provide a more complete picture, and (iii) must increase in difficulty to challenge more capable LLMs. In this work, we address these challenges and present AutoBaxBuilder, an automated pipeline that generates code security benchmarking tasks from scratch. It leverages the code-understanding capabilities of LLMs combined with robust reliability checks to construct functional tests and end-to-end security-probing exploits. The quality of the pipeline is quantitatively confirmed by aligning its predictions with an expert-written baseline and qualitatively validated through manual soundness verification. We use AutoBaxBuilder to construct a new benchmark and release it to the public as AutoBaxBench, together with a thorough evaluation on contemporary LLMs. AutoBaxBuilder generates new tasks in under 2 hours, for less than USD 4. Including a manual verification, this reduces the required human effort for benchmark construction by a factor of 12.
Authors: Nuoya Xiong, Yuhang Zhou, Hanqing Zeng, Zhaorun Chen, Furong Huang, Shuchao Bi, Lizhu Zhang, Zhuokai Zhao
Abstract: Large language models (LLMs) exhibit strengths across diverse domains. However, achieving strong performance across these domains with a single general-purpose model typically requires scaling to sizes that are prohibitively expensive to train and deploy. On the other hand, while smaller domain-specialized models are much more efficient, they struggle to generalize beyond their training distributions. To address this dilemma, we propose FusionRoute, a robust and effective token-level multi-LLM collaboration framework in which a lightweight router simultaneously (i) selects the most suitable expert at each decoding step and (ii) contributes a complementary logit that refines or corrects the selected expert's next-token distribution via logit addition. Unlike existing token-level collaboration methods that rely solely on fixed expert outputs, we provide a theoretical analysis showing that pure expert-only routing is fundamentally limited: unless strong global coverage assumptions hold, it cannot in general realize the optimal decoding policy. By augmenting expert selection with a trainable complementary generator, FusionRoute expands the effective policy class and enables recovery of optimal value functions under mild conditions. Empirically, across both Llama-3 and Gemma-2 families and diverse benchmarks spanning mathematical reasoning, code generation, and instruction following, FusionRoute outperforms both sequence- and token-level collaboration, model merging, and direct fine-tuning, while remaining competitive with domain experts on their respective tasks.
Authors: Alkis Kalavasis, Pravesh K. Kothari, Shuchen Li, Manolis Zampetakis
Abstract: In this work, we give a ${\rm poly}(d,k)$ time and sample algorithm for efficiently learning the parameters of a mixture of $k$ spherical distributions in $d$ dimensions. Unlike all previous methods, our techniques apply to heavy-tailed distributions and include examples that do not even have finite covariances. Our method succeeds whenever the cluster distributions have a characteristic function with sufficiently heavy tails. Such distributions include the Laplace distribution but crucially exclude Gaussians. All previous methods for learning mixture models relied implicitly or explicitly on the low-degree moments. Even for the case of Laplace distributions, we prove that any such algorithm must use super-polynomially many samples. Our method thus adds to the short list of techniques that bypass the limitations of the method of moments. Somewhat surprisingly, our algorithm does not require any minimum separation between the cluster means. This is in stark contrast to spherical Gaussian mixtures where a minimum $\ell_2$-separation is provably necessary even information-theoretically [Regev and Vijayaraghavan '17]. Our methods compose well with existing techniques and allow obtaining ''best of both worlds" guarantees for mixtures where every component either has a heavy-tailed characteristic function or has a sub-Gaussian tail with a light-tailed characteristic function. Our algorithm is based on a new approach to learning mixture models via efficient high-dimensional sparse Fourier transforms. We believe that this method will find more applications to statistical estimation. As an example, we give an algorithm for consistent robust mean estimation against noise-oblivious adversaries, a model practically motivated by the literature on multiple hypothesis testing. It was formally proposed in a recent Master's thesis by one of the authors, and has already inspired follow-up works.
Authors: Zhanming Shen, Jiaqi Hu, Zeyu Qin, Hao Chen, Wentao Ye, Zenan Huang, Yihong Zhuang, Guoshan Lu, Junlin Zhou, Junbo Zhao
Abstract: Efficient distillation is a key pathway for converting expensive reasoning capability into deployable efficiency, yet in the frontier regime where the student already has strong reasoning ability, naive continual distillation often yields limited gains or even degradation. We observe a characteristic training phenomenon: even as loss decreases monotonically, all performance metrics can drop sharply at almost the same bottleneck, before gradually recovering. We further uncover a token-level mechanism: confidence bifurcates into steadily increasing Imitation-Anchor Tokens that quickly anchor optimization and other yet-to-learn tokens whose confidence is suppressed until after the bottleneck. And the characteristic that these two types of tokens cannot coexist is the root cause of the failure in continual distillation. To this end, we propose Training-Trajectory-Aware Token Selection (T3S) to reconstruct the training objective at the token level, clearing the optimization path for yet-to-learn tokens. T3S yields consistent gains in both AR and dLLM settings: with only hundreds of examples, Qwen3-8B surpasses DeepSeek-R1 on competitive reasoning benchmarks, Qwen3-32B approaches Qwen3-235B, and T3-trained LLaDA-2.0-Mini exceeds its AR baseline, achieving state-of-the-art performance among all of 16B-scale no-think models.
Authors: RuiKang OuYang, Louis Grenioux, Jos\'e Miguel Hern\'andez-Lobato
Abstract: Score-based generative models have recently achieved remarkable success. While they are usually parameterized by the score, an alternative way is to use a series of time-dependent energy-based models (EBMs), where the score is obtained from the negative input-gradient of the energy. Crucially, EBMs can be leveraged not only for generation, but also for tasks such as compositional sampling or building Boltzmann Generators via Monte Carlo methods. However, training EBMs remains challenging. Direct maximum likelihood is computationally prohibitive due to the need for nested sampling, while score matching, though efficient, suffers from mode blindness. To address these issues, we introduce the Diffusive Classification (DiffCLF) objective, a simple method that avoids blindness while remaining computationally efficient. DiffCLF reframes EBM learning as a supervised classification problem across noise levels, and can be seamlessly combined with standard score-based objectives. We validate the effectiveness of DiffCLF by comparing the estimated energies against ground truth in analytical Gaussian mixture cases, and by applying the trained models to tasks such as model composition and Boltzmann Generator sampling. Our results show that DiffCLF enables EBMs with higher fidelity and broader applicability than existing approaches.
Authors: Elias J\"a\"asaari, Ville Hyv\"onen, Teemu Roos
Abstract: Multi-vector representations generated by late interaction models, such as ColBERT, enable superior retrieval quality compared to single-vector representations in information retrieval applications. In multi-vector retrieval systems, both queries and documents are encoded using one embedding per token, and similarity between queries and documents is measured by the MaxSim similarity measure. However, the improved quality of multi-vector retrieval comes at the expense of significantly increased search latency. In this work, we introduce LEMUR, a simple yet efficient framework for multi-vector similarity search. LEMUR consists of two consecutive problem reductions: First, we formulate multi-vector similarity search as a supervised learning problem that can be solved using a one-hidden-layer neural network. Second, we reduce inference under this model to single-vector similarity search in its latent space, enabling the use of existing single-vector search indexes to accelerate retrieval. LEMUR is an order of magnitude faster than prior multi-vector similarity search methods. Our code is available at https://github.com/ejaasaari/lemur
Authors: Yisi Ke, Tianyu Huang, Yankai Shu, Di He, Jingchu Gai, Liwei Wang
Abstract: The Gilbert-Pollak Conjecture \citep{gilbert1968steiner}, also known as the Steiner Ratio Conjecture, states that for any finite point set in the Euclidean plane, the Steiner minimum tree has length at least $\sqrt{3}/2 \approx 0.866$ times that of the Euclidean minimum spanning tree (the Steiner ratio). A sequence of improvements through the 1980s culminated in a lower bound of $0.824$, with no substantial progress reported over the past three decades. Recent advances in LLMs have demonstrated strong performance on contest-level mathematical problems, yet their potential for addressing open, research-level questions remains largely unexplored. In this work, we present a novel AI system for obtaining tighter lower bounds on the Steiner ratio. Rather than directly prompting LLMs to solve the conjecture, we task them with generating rule-constrained geometric lemmas implemented as executable code. These lemmas are then used to construct a collection of specialized functions, which we call verification functions, that yield theoretically certified lower bounds of the Steiner ratio. Through progressive lemma refinement driven by reflection, the system establishes a new certified lower bound of 0.8559 for the Steiner ratio. The entire research effort involves only thousands of LLM calls, demonstrating the strong potential of LLM-based systems for advanced mathematical research.
Authors: Jie Jiang, Xinxun Zhang, Enming Zhang, Yuling Xiong, Jun Zhang, Jingwen Wang, Huan Yu, Yuxiang Wang, Hao Wang, Xiao Yan, Jiawei Jiang
Abstract: Generative Recommendation (GR) has excelled by framing recommendation as next-token prediction. This paradigm relies on Semantic IDs (SIDs) to tokenize large-scale items into discrete sequences. Existing GR approaches predominantly generate SIDs via Residual Quantization (RQ), where items are encoded into embeddings and then quantized to discrete SIDs. However, this paradigm suffers from inherent limitations: 1) Objective misalignment and semantic degradation stemming from the two-stage compression; 2) Error accumulation inherent in the structure of RQ. To address these limitations, we propose UniSID, a Unified SID generation framework for generative advertisement recommendation. Specifically, we jointly optimize embeddings and SIDs in an end-to-end manner from raw advertising data, enabling semantic information to flow directly into the SID space and thus addressing the inherent limitations of the two-stage cascading compression paradigm. To capture fine-grained semantics, a multi-granularity contrastive learning strategy is introduced to align distinct items across SID levels. Finally, a summary-based ad reconstruction mechanism is proposed to encourage SIDs to capture high-level semantic information that is not explicitly present in advertising contexts. Experiments demonstrate that UniSID consistently outperforms state-of-the-art SID generation methods, yielding up to a 4.62% improvement in Hit Rate metrics across downstream advertising scenarios compared to the strongest baseline.
Authors: Danlong Yuan, Wei Wu, Zhengren Wang, Xueliang Zhao, Huishuai Zhang, Dongyan Zhao
Abstract: Reinforcement learning (RL) has become a key paradigm for training software engineering (SWE) agents, but existing pipelines typically rely on per-task containers for isolation. At scale, pre-built container images incur substantial storage overhead, slow environment setup, and require container-management privileges. We propose SWE-MiniSandbox, a lightweight, container-free method that enables scalable RL training of SWE agents without sacrificing isolation. Instead of relying on per-instance containers, SWE-MiniSandbox executes each task in an isolated workspace backed by kernel-level mechanisms, substantially reducing system overhead. It leverages lightweight environment pre-caching techniques to eliminate the need for bulky container images. As a result, our approach lowers disk usage to approximately 5\% of that required by container-based pipelines and reduces environment preparation time to about 25\% of the container baseline. Empirical results demonstrate that SWE-MiniSandbox achieves evaluation performance comparable to standard container-based pipelines. By removing the dependency on heavy container infrastructure, SWE-MiniSandbox offers a practical and accessible foundation for scaling RL-based SWE agents, particularly in resource-constrained research environments.
Authors: Simon Rosen, Siddarth Singh, Ebenezer Gelo, Helen Sarah Robertson, Ibrahim Suder, Victoria Williams, Benjamin Rosman, Geraud Nangue Tasse, Steven James
Abstract: Evaluating moral alignment in agents navigating conflicting, hierarchically structured human norms is a critical challenge at the intersection of AI safety, moral philosophy, and cognitive science. We introduce Morality Chains, a novel formalism for representing moral norms as ordered deontic constraints, and MoralityGym, a benchmark of 98 ethical-dilemma problems presented as trolley-dilemma-style Gymnasium environments. By decoupling task-solving from moral evaluation and introducing a novel Morality Metric, MoralityGym allows the integration of insights from psychology and philosophy into the evaluation of norm-sensitive reasoning. Baseline results with Safe RL methods reveal key limitations, underscoring the need for more principled approaches to ethical decision-making. This work provides a foundation for developing AI systems that behave more reliably, transparently, and ethically in complex real-world contexts.
Authors: Chen Sun, Yash Vekaria, Zubair Shafiq, Rishab Nithyanand
Abstract: YouTube has evolved into a powerful platform where creators monetize their influence through affiliate marketing, raising concerns about transparency and ethics, especially when creators fail to disclose their affiliate relationships. Although regulatory agencies like the US Federal Trade Commission (FTC) have issued guidelines to address these issues, non-compliance and consumer harm persist, and the extent of these problems remains unclear. In this paper, we introduce tools, developed with insights from recent advances in Web measurement and NLP research, to examine the state of the affiliate marketing ecosystem on YouTube. We apply these tools to a 10-year dataset of 2 million videos from nearly 540,000 creators, analyzing the prevalence of affiliate marketing on YouTube and the rates of non-compliant behavior. Our findings reveal that affiliate links are widespread, yet disclosure compliance remains low, with most videos failing to meet FTC standards. Furthermore, we analyze the effects of different stakeholders in improving disclosure behavior. Our study suggests that the platform is highly associated with improved compliance through standardized disclosure features. We recommend that regulators and affiliate partners collaborate with platforms to enhance transparency, accountability, and trust in the influencer economy.
Authors: Paul P. Hager, Fabian N. Harang, Luca Pelizzari, Samy Tindel
Abstract: Modern approaches for learning from non-Markovian time series, such as recurrent neural networks, neural controlled differential equations or transformers, typically rely on implicit memory mechanisms that can be difficult to interpret or to train over long horizons. We propose the \emph{Volterra signature} $\mathrm{VSig}(x;K)$ as a principled, explicit feature representation for history-dependent systems. By developing the input path $x$ weighted by a temporal kernel $K$ into the tensor algebra, we leverage the associated Volterra--Chen identity to derive rigorous learning-theoretic guarantees. Specifically, we prove an \emph{injectivity} statement (identifiability under augmentation) that leads to a \emph{universal approximation} theorem on the infinite dimensional path space, which in certain cases is achieved by \emph{linear functionals} of $\mathrm{VSig}(x;K)$. Moreover, we demonstrate applicability of the \emph{kernel trick} by showing that the inner product associated with Volterra signatures admits a closed characterization via a two-parameter integral equation, enabling numerical methods from PDEs for computation. For a large class of exponential-type kernels, $\mathrm{VSig}(x;K)$ solves a linear state-space ODE in the tensor algebra. Combined with inherent invariance to time reparameterization, these results position the Volterra signature as a robust, computationally tractable feature map for data science. We demonstrate its efficacy in dynamic learning tasks on real and synthetic data, where it consistently improves classical path signature baselines.
Authors: Ryan Cory-Wright, Jean Pauphilet
Abstract: We develop tractable convex relaxations for rank-constrained quadratic optimization problems over $n \times m$ matrices, a setting for which tractable relaxations are typically only available when the objective or constraints admit spectral structure. We derive lifted semidefinite relaxations that do not require such spectral terms. Although a direct lifting introduces a large semidefinite constraint in dimension $n^2 + nm + 1$, we prove that many blocks of the moment matrix are redundant and derive an equivalent compact relaxation that only involves two semidefinite constraints of dimension $nm + 1$ and $n+m$, respectively. We also derive a new class of valid inequalities for low-rank problems, which we call projection cuts, that exploit the fact that rank constraints are inherited by linear images of a low-rank matrix, to strengthen our low-rank relaxations substantially. For matrix completion and reduced-rank regression problems, among others, we exploit additional structure to obtain even more compact formulations involving semidefinite matrices of dimension at most the sum of the two dimensions of the low-rank decision matrix (i.e., of size at most $n+m$). Overall, we obtain scalable semidefinite bounds for a broad class of low-rank quadratic problems.
Authors: Eunbi Yoon, Won Chang, Donghan Kim, Dae Wook Kim
Abstract: Data assimilation is the process of estimating the state of a dynamical system over time by combining model predictions with measurements. This task becomes challenging when the system is nonlinear and high-dimensional. To address this, score-based Bayesian filters have recently emerged. However, these methods still show unsatisfactory performance in certain cases, particularly under spatially sparse measurements. Such degradation stems from heuristic approximations of the likelihood score, whose errors can accumulate over time. This limitation arises because the methods simply adopt a classical forward process for generative modeling that transforms a data distribution toward a Gaussian distribution, which is independent of the measurement equation. Here, we propose a forward process tailored for filtering that transforms the system state toward the measurement space, enabling a theoretically sound formulation of the likelihood score. Based on this, we develop the Measurement-Aware Score-based Filter (MASF). We evaluate MASF on Kolmogorov flow, a high-dimensional fluid benchmark with up to $\mathcal{O}(10^5)$ dimensions, under diverse measurement operators, including nonlinear cases with a dimensional mismatch between the state and the measurements. MASF shows improved performance over existing score-based filters and ensemble-type Kalman filters. Notably, MASF achieves up to a $28.2\times$ wall-clock speedup compared with the baselines when using amortized pretraining. Our implementation is available at \texttt{https://github.com/tcnllab-oss/masf}.
Authors: Jiawei Chen, Ruoxi Xu, Boxi Cao, Ruotong Pan, Yunfei Zhang, Yifei Hu, Yong Du, Tingting Gao, Yaojie Lu, Yingfei Sun, Xianpei Han, Le Sun, Xiangyu Wu, Hongyu Lin
Abstract: The emergence of Large Language Models (LLMs) has illuminated the potential for a general-purpose user simulator. However, existing benchmarks remain constrained to isolated scenarios, narrow action spaces, or synthetic data, failing to capture the holistic nature of authentic human behavior. To bridge this gap, we introduce OmniBehavior, the first user simulation benchmark constructed entirely from real-world data, integrating long-horizon, cross-scenario, and heterogeneous behavioral patterns into a unified framework. Based on this benchmark, we first provide empirical evidence that previous datasets with isolated scenarios suffer from tunnel vision, whereas real-world decision-making relies on long-term, cross-scenario causal chains. Extensive evaluations of state-of-the-art LLMs reveal that current models struggle to accurately simulate these complex behaviors, with performance plateauing even as context windows expand. Crucially, a systematic comparison between simulated and authentic behaviors uncovers a fundamental structural bias: LLMs tend to converge toward a positive average person, exhibiting hyper-activity, persona homogenization, and a utopian bias. This results in the loss of individual differences and long-tail behaviors, highlighting critical directions for future high-fidelity simulation research.
Authors: Jun Wang, Ziyin Zhang, Rui Wang, Hang Yu, Peng Di, Rui Wang
Abstract: Real-time detection and mitigation of technical anomalies are critical for large-scale cloud-native services, where even minutes of downtime can result in massive financial losses and diminished user trust. While customer incidents serve as a vital signal for discovering risks missed by monitoring, extracting actionable intelligence from this data remains challenging due to extreme noise, high throughput, and semantic complexity of diverse business lines. In this paper, we present TingIS, an end-to-end system designed for enterprise-grade incident discovery. At the core of TingIS is a multi-stage event linking engine that synergizes efficient indexing techniques with Large Language Models (LLMs) to make informed decisions on event merging, enabling the stable extraction of actionable incidents from just a handful of diverse user descriptions. This engine is complemented by a cascaded routing mechanism for precise business attribution and a multi-dimensional noise reduction pipeline that integrates domain knowledge, statistical patterns, and behavioral filtering. Deployed in a production environment handling a peak throughput of over 2,000 messages per minute and 300,000 messages per day, TingIS achieves a P90 alert latency of 3.5 minutes and a 95\% discovery rate for high-priority incidents. Benchmarks constructed from real-world data demonstrate that TingIS significantly outperforms baseline methods in routing accuracy, clustering quality, and Signal-to-Noise Ratio.
Authors: Ben Wan, Yan Feng, Zihan Tang, Weizhe Huang, Yuting Zeng, Jia Wang, Tongxuan Liu
Abstract: DeepSeek-OCR leverages visual-text compression to reduce long-text processing costs and accelerate inference, yet visual tokens remain prone to redundant textual and structural information. Moreover, current token pruning methods for conventional vision-language models (VLMs) fail to preserve textual fidelity due to improper compression mechanisms. By analyzing the decoding process of DeepSeek-OCR, we find that a distinct two-stage reading trajectory: the model initially prioritizes the majority of high-norm tokens, then subsequently redistributes its attention to the remaining ones. Motivated by this insight, we propose RTPrune, a two-stage token pruning method tailored for DeepSeek-OCR. In the first stage, we prioritize high-norm visual tokens that capture salient textual and structural information. In the second stage, the remaining tokens are paired and merged based on optimal transport theory to achieve efficient feature aggregation. We further introduce a dynamic pruning ratio that adapts to token similarity and textual density for OCR tasks, enabling a better efficiency-accuracy trade-off. Extensive experiments demonstrate state-of-the-art performance, as evidenced by 99.47% accuracy and 1.23$\times$ faster prefill on OmniDocBench, achieved with 84.25% token retention when applied to DeepSeek-OCR-Large.
Authors: Ahmed Y. Radwan, Hina Tabassum
Abstract: Deep learning has been widely adopted for WiFi CSI-based human activity recognition (HAR) due to its ability to learn spatio-temporal features in a privacy-preserving and cost-effective manner. However, DL-based models generalize poorly across environments, a challenge amplified in multi-user settings where overlapping activities cause CSI entanglement and domain shifts. Practical deployments often limit access to labeled source data due to privacy constraints, motivating source-free adaptation using only unlabeled target-domain CSI and a pre-trained source model. In this paper, we propose MU-SHOT-Fi, a source-free unsupervised domain adaptation framework for single- and multi-user Wi-Fi sensing. MU-SHOT-Fi employs permutation-invariant set prediction with Hungarian matching during source training, followed by frozen-classifier backbone adaptation in the target domain. To enable stable adaptation without labels, we introduce occupancy-weighted information maximization that prevents model collapse by focusing diversity regularization on likely-occupied slots while excluding the dominant class from marginal entropy. Additionally, we employ binary rotation prediction as spatial self-supervision that exploits CSI frequency-time structure to learn domain-invariant features. For single-user scenarios, we introduce SU-SHOT-Fi by replacing occupancy weighting with standard information maximization and incorporating contrastive predictive coding to exploit temporal consistency. Extensive experiments on the WiMANS and Widar 3.0 datasets across cross-environment, cross-frequency, cross-orientation, and combined domain shifts demonstrate that MU-SHOT-Fi effectively recovers multi-user exact-activity classification performance under large domain shifts while maintaining accurate occupancy estimation and preventing collapse toward dominant classes.
Authors: Zhaoyang Li, Zhichao You, Tianrui Li
Abstract: Although multi-modal learning has advanced point cloud completion, the theoretical mechanisms remain unclear. Recent works attribute success to the connection between modalities, yet we identify that standard hard projection severs this connection: projecting a sparse point cloud onto the image plane yields an extremely sparse support, which hinders visual prior propagation, a failure mode we term Cross-Modal Entropy Collapse. To address this practical limitation, we propose SplAttN, which replaces hard projection with Differentiable Gaussian Splatting to produce a dense, continuous image-plane representation. By reformulating projection as continuous density estimation, SplAttN avoids collapsed sparse support, facilitates gradient flow, and improves cross-modal connection learnability. Extensive experiments show that SplAttN achieves state-of-the-art performance on PCN and ShapeNet-55/34. Crucially, we utilize the real-world KITTI benchmark as a stress test for multi-modal reliance. Counter-factual evaluation reveals that while baselines degenerate into unimodal template retrievers insensitive to visual removal, SplAttN maintains a robust dependency on visual cues, validating that our method establishes an effective cross-modal connection. Code is available at https://github.com/zay002/SplAttN.
Authors: Yiqiao Jin, Yiyang Wang, Lucheng Fu, Yijia Xiao, Yinyi Luo, Haoxin Liu, B. Aditya Prakash, Josiah Hester, Jindong Wang, Srijan Kumar
Abstract: Self-distillation (SD) offers a promising path for adapting large language models (LLMs) without relying on stronger external teachers. However, SD in autoregressive LLMs remains challenging because self-generated trajectories are free-form, correctness is task-dependent, and plausible rationales can still provide unstable or unreliable supervision. Existing methods mainly examine isolated design choices, leaving their effectiveness, roles, and interactions unclear. In this paper, we propose UniSD, a unified framework to systematically study self-distillation. UniSD integrates complementary mechanisms that address supervision reliability, representation alignment, and training stability, including multi-teacher agreement, EMA teacher stabilization, token-level contrastive learning, feature matching, and divergence clipping. Across six benchmarks and six models from three model families, UniSD reveals when self-distillation improves over static imitation, which components drive the gains, and how these components interact across tasks. Guided by these insights, we construct UniSDfull, an integrated pipeline that combines complementary components and achieves the strongest overall performance, improving over the base model by +5.4 points and the strongest baseline by +2.8 points. Extensive evaluation highlights self-distillation as a practical and steerable approach for efficient LLM adaptation without stronger external teachers.
Authors: Alexandre Cristov\~ao Maiorano
Abstract: Educational LLM tutors face a core AI alignment challenge: they must follow user intent while preserving pedagogical constraints and safety policies. We present an evaluation methodology for prompt-injection defenses in this setting, showing that guardrail design entails explicit trade-offs among adversarial robustness, benign-task usability, and response latency. We evaluate a domain-specific multi-layer safeguard pipeline combining deterministic pattern filters, structural validation, contextual sandboxing, and session-level behavioral checks. On a controlled holdout benchmark, the pipeline reaches low bypass and false positive rates with optimized average latency - an operating point that prioritizes pedagogical usability (zero false positives) while maintaining measurable attack resistance. We provide a reproducible benchmark protocol for head-to-head comparison under identical conditions, including stratified bootstrap confidence intervals, paired McNemar significance tests, multi-seed sensitivity sweeps, and direct evaluation of Prompt Guard and NeMo Guardrails on the same split with unified instrumentation. Results expose operational trade-offs: NeMo reaches 0 percent bypass at 16.22 percent FPR and roughly 1.5s latency, while Prompt Guard yields 38.48 percent bypass with 3.60 percent FPR. The framework supports evidence-based guardrail selection for AI tutoring systems under different institutional risk and usability requirements.
Authors: Tom Sander, Hongyan Chang, Tom\'a\v{s} Sou\v{c}ek, Tuan Tran, Valeriu Lacatusu, Sylvestre-Alvise Rebuffi, Alexandre Mourachko, Surya Parimi, Christophe Ropers, Rashel Moritz, Vanessa Stark, Hady Elsahar, Pierre Fernandez
Abstract: We introduce TextSeal, a state-of-the-art watermark for large language models. Building on Gumbel-max sampling, TextSeal introduces dual-key generation to restore output diversity, along with entropy-weighted scoring and multi-region localization for improved detection. It supports serving optimizations such as speculative decoding and multi-token prediction, and does not add any inference overhead. TextSeal strictly dominates baselines like SynthID-text in detection strength and is robust to dilution, maintaining confident localized detection even in heavily mixed human/AI documents. The scheme is theoretically distortion-free, and evaluation across reasoning benchmarks confirms that it preserves downstream performance; while a multilingual human evaluation (6000 A/B comparisons, 5 languages) shows no perceptible quality difference. Beyond its use for provenance detection, TextSeal is also ``radioactive'': its watermark signal transfers through model distillation, enabling detection of unauthorized use.
Authors: Ahmed Heakl, Youssef Mohamed, Abdullah Sohail, Rania Elbadry, Ahmed Nassar, Peter W. J. Staar, Fahad Shahbaz Khan, Imran Razzak, Salman Khan
Abstract: Multilingual document understanding remains limited for low-resource languages due to scarce training data and model-based annotation pipelines that perpetuate existing biases. We introduce DocAtlas, a framework that constructs high-fidelity OCR datasets and benchmarks covering 82 languages and 9 evaluation tasks. Our dual pipelines, differential rendering of native DOCX documents and synthetic LaTeX-based generation for right-to-left scripts produce precise structural annotations in a unified DocTag format encoding layout, text, and component types, without learned models for core annotation. Evaluating 16 state-of-the-art models reveals persistent gaps in low-resource scripts. We show that Direct Preference Optimization (DPO) using rendering-derived ground truth as positive signal achieves stable multilingual adaptation, improving both in-domain (+1.9%) and out-of-domain (+1.8%) accuracy without measurable base-language degradation, where supervised fine-tuning degrades out-of-domain performance by up to 21%. Our best variant, DocAtlas-DeepSeek, improves +1.7% over the strongest baseline. Code is available at https://github.com/ahmedheakl/DocAtlas .
Authors: Guruprasad Raghavan, George Nychis, Rohan Narayana Murthy
Abstract: In enterprise operations, the context required for an AI agent task is scattered across systems of record, static information stores, and communication channels. What is stored is system state, a lossy representation of the work that actually happened. The prevailing approach retrieves by matching request content to what is stored; for narrow requests this works well. But synthesis quality depends on knowing what to surface and how to interpret it: knowledge specific to each organization, team, and individual, present in behavioral patterns, absent from any retrieval index. For the agentic task of proposing enterprise-valuable leads to sellers, this approach breaks down: True Lead Rate is low, False Lead Rate is high, and the model has no mechanism to improve. We present X-SYNTH, a framework for enterprise context synthesis grounded in digital human attention, the digitally observable interaction signatures of each worker, encoding what they did, the sequence in which they did it, and implicit reward signals. Behavioral traces preceding positive outcomes are distinguishable from those that did not, without external labeling. X-SYNTH models each individual's behavioral baseline as a Digital Twin Signature (DTS) and selects among seven attention filters, Proportional, Inverse, Differential, Recurrent, Comparative, Sequential, and Collective, per individual and per query, to identify causally relevant activity signatures. A four-stage pipeline assembles ranked context grounded in behavioral patterns rather than query embeddings. A frontier model unaided achieves 9.5% True Lead Rate (TLR) with 90.5% False Lead Rate (FLR). Augmented with X-SYNTH, TLR rises to 61.9% (6.5x) while FLR falls to 18.8%. Enterprise context synthesis is not a retrieval problem. It is a relevance problem, and digital human attention is its most reliable ground truth.
Authors: Fengfei Yu, Ruijia Niu, Dongxia Wu, Yian Ma, Rose Yu
Abstract: As large language models (LLMs) are deployed in consequential settings such as medical question answering and legal reasoning, the ability to estimate when their outputs are likely to be correct is essential for safe and reliable use, requiring well-calibrated uncertainty. Standard reinforcement learning with verifiable rewards (RLVR) trains models with a binary correctness reward that is indifferent to confidence, providing no penalty for confident but wrong predictions and thereby degrading calibration. Recent work addresses this by training models to produce verbalized confidence scores alongside answers and rewarding agreement with correctness. However, verbalized confidence is calibrated at the token level and thus exhibits inconsistency across textual variations with same semantic meaning. We propose \textbf{Calibration with Semantic Reward (CSR)}, a framework that calibrates language models directly in semantic space without a verbalized confidence interface. CSR combines the correctness reward with a novel semantic calibration reward that encourages exploitation among correct rollouts by promoting semantic agreement, and exploration among incorrect ones by discouraging spurious consistency. Experiments across three model families on HotpotQA (in-distribution) and TriviaQA, MSMARCO, and NQ-Open (out-of-distribution) show that CSR consistently achieves lower ECE and higher AUROC than verbalized-confidence baselines across nearly all settings, reducing ECE by up to $40\%$ and improving AUROC by up to $31\%$ over verbalized-confidence baselines, with calibration behavior generalizing robustly across all four evaluation settings.
Authors: Kunyang Li, Mubarak Shah, Yuzhang Shang
Abstract: Autoregressive (AR) video diffusion is a powerful paradigm for streaming and interactive video generation. However, its reliance on softmax self-attention leads to quadratic compute complexity in sequence length and memory usage due to key-value caching, which limits its scalability to long video horizons. Existing remedies (e.g., sparse attention and KV-cache compression) reduce per-step cost but still rely on a linearly growing cache or irreversibly discard past context, and thus fail to address linear memory growth and streaming context management. To address this scalability bottleneck, we propose ARL2 (Attend Locally, Remember Linearly), a hybrid attention module that replaces quadratic cross-frame attention with a fixed-size recurrent state. We decompose self-attention into two branches: an intra-frame softmax branch for spatial detail and local dependencies, and an inter-frame gated recurrent linear branch that maintains a fixed-size state for streaming context. Our key insight is that softmax attention captures fine-grained local interactions, while a recurrent state provides controllable long-range memory. This design achieves linear-time scaling with constant memory while improving temporal consistency over the full-softmax model. To prevent noisy intermediate states from corrupting memory, we update the recurrent state only after the denoised pass. To avoid within-frame information asymmetry, all tokens share the same pre-update state rather than sequential updates. To the best of our knowledge, this is the first work to convert a pretrained AR video diffusion model into a hybrid linear attention architecture, through an efficient two-stage training scheme for AR video. With 75% of layers replaced by hybrid linear attention, the model achieves up to 2.26 wall-clock speedup and 54% memory reduction, while maintaining comparable quality with improving temporal consistency.
Authors: Carol Xuan Long, David Simchi-Levi, Feng Zhu, Huangyuan Su, Andre P. Calmon, Flavio P. Calmon
Abstract: This paper studies autonomous generative AI agents in multi-echelon supply chains using the MIT Beer Game. We identify four inference-time levers that shape performance: model selection, policies and guardrails, centralized data sharing, and prompt engineering. Model capability is the dominant factor: an out-of-the-box reasoning model exceeds human-level performance, and optimized reasoning models reduce costs by up to 67% relative to human teams. However, strong average performance masks substantial reliability risks. We introduce agent bullwhip: the amplification of run-to-run decision instability in autonomous multi-echelon systems. A central component is decision bullwhip, the portion of order variability generated by stochastic agent decisions rather than by changes in customer demand. We show that decision instability can amplify both across facilities at a fixed point in time and within the same facility over time, even when the demand path is held fixed. Repeated sampling, a natural test-time remedy, fails to meaningfully reduce this instability, suggesting that reliability requires changing the underlying decision policy rather than merely averaging over model outputs. To address this limitation, we propose a Group Relative Policy Optimization (GRPO)-based reinforcement-learning post-training framework that trains a shared base LLM using system-level supply-chain rewards. Post-training substantially reduces tail events, curtails agent bullwhip, and improves the reliability of autonomous supply-chain agents.
Authors: Samira Sayedsalehi, Nader Bagherzadeh, Maxim Shcherbakov, Jean-Luc Gaudiot
Abstract: Quantum error correction (QEC) is essential for building fault-tolerant quantum computers, requiring decoders that are simultaneously accurate, fast, and scalable. Most state-of-the-art neural decoders achieve high accuracy but process the full dense syndrome array of size $O(d^2 R) $regardless of the actual error rate, where d is the code distance and R is the number of measurement rounds. At physically relevant error rates (p ~ 0.1%), fewer than 5% of syndrome entries contain active detection events -- yet existing decoders process the entire syndrome volume. We introduce the Sparse Mamba Decoder (SMD), a defect-centric neural decoder that processes only the k active detection events using a 13-dimensional feature representation per defect and a Mamba state-space backbone, achieving $O(k)$ complexity. Across depolarizing, uniform circuit-level, SI1000, and Google Sycamore experimental benchmarks, SMD reduces the MWPM logical error rate by up to 49% at $d \le 5$ under SI1000 noise, runs 95-467x faster than the Tesseract near-MLD decoder and 232-463x faster than Belief Matching, and maintains nearly constant latency (24-57 us) across d = 3-9 under uniform circuit-level noise. On the Sycamore experimental dataset, the SMD ensemble matches or slightly surpasses the dense Mamba decoder of Varbanov et al. All results are obtained on commodity NVIDIA GPUs with 7.5-16M parameters, without specialized accelerators.
Authors: Kuei-Chun Kao, Daixuan Huo, Yuanhao Ban, Cho-Jui Hsieh
Abstract: Aligning Text-to-Image (T2I) generation models with human preferences increasingly relies on image reward models that score or rank generated images according to prompt alignment and perceptual quality. Existing reward models are commonly trained as Bradley-Terry (BT) preference models on large-scale human preference corpora, making them costly to train, difficult to adapt, and opaque in their evaluation criteria. Meanwhile, Vision-Language Model (VLM) judges can provide more fine-grained assessments through textual rubrics, but their manually designed or heuristically generated scoring rules may fail to reliably reflect human preferences. In this paper, we propose AutoRubric-T2I, the first rubric learning framework in T2I that automatically synthesizes and selects explicit rubrics for guiding VLM judges. AutoRubric-T2I first synthesizes reasoning traces from preference pairs into candidate rubrics, then uses a VLM judge to score paired images under each rubric, producing pairwise rubric-score differences for preference learning. To remove noisy and redundant rules, we further employ a $\ell_1$-Regularized Logistic Regression Refiner, which selects the Top-$N$ most discriminative rubrics. Extensive evaluations show that AutoRubric-T2I produces high-quality, interpretable reward signals using less than 0.01% of the annotated preference data, substantially reducing the need for large-scale reward-model training. On image reward benchmarks such as MMRB2, AutoRubric-T2I outperforms strong reward model baselines. We further validate AutoRubric-T2I as an RL reward on downstream T2I tasks, including TIIF and UniGenBench++, where it improves generation quality over scalar reward models using the Flow-GRPO pipeline on diffusion models.
Authors: Weizhao Li, Fanghui Liu, Lei Shi
Abstract: We study approximation by shallow ReLU$^s$ networks, $\sigma_s(t)=\max{0,t}^s$, and the generalization behavior of such networks under $\ell_1$ path-norm control. For the $L^p$-type integral spaces $\widetilde{\mathcal{F}}_{p,\tau_d,s}$, $1\le p\le2$, we establish approximation bounds for shallow networks using spherical harmonic analysis. In particular, when the parameter measure is the uniform measure $\tau_d$ and $p
Authors: Rahul Uma Ramachandran, Serge Massar
Abstract: Physical computing systems provide a promising route toward hardware-native machine learning, but their computational capabilities remain difficult to characterize in a principled, task-independent, and data-efficient way. We extend the Information Processing Capacity (IPC) framework to stationary physical computing systems and establish several fundamental results: individual capacities are bounded between zero and one, their sum over a complete basis is bounded by the number of readouts, and noise strictly reduces this bound. We address the finite-sample estimation of IPC and derive the asymptotic form of the systematic positive bias affecting naive estimators. Building on these results, we introduce data-efficient estimation methods based on Richardson extrapolation and Sobol quasi-random sampling. We validate the framework experimentally using a photonic computing system based on picosecond laser pulses propagating through a nonlinear optical fibre. By varying the laser power and fibre length, we observe systematic shifts of the IPC distribution toward higher-order nonlinear capacities induced by the Kerr effect. Finally, we demonstrate that the total IPC strongly correlates with performance on benchmark machine-learning tasks and provides a reliable estimate of the effective dimensionality of the system. These results establish IPC as a practical bridge between the intrinsic dynamics of physical computing systems and their machine-learning performance.
Authors: Lautaro Estienne, Erik Ernst, Mat\'ias Vera, Pablo Piantanida, Luciana Ferrer
Abstract: In high-stakes automated decision-making, access to predictive uncertainty is essential for enabling users -- human or downstream systems -- to accept or reject predictions based on application-specific cost trade-offs. Such uncertainty-augmented (UA) systems -- i.e., systems that output both predictions and uncertainty scores -- are currently being assessed in the literature in a variety of ways, using separate metrics to evaluate the predictions and the uncertainty scores, setting a cost function with a fixed rejection cost or integrating over a coverage-risk curve. We argue that these evaluation approaches are inadequate for assessing overall performance of the UA system for decision making under uncertainty and propose a novel family of metrics, $ECUAS_n$, formulated as proper scoring rules for the task of interest. The parameter $n$ controls the trade-off between the cost of incorrect predictions and imperfect uncertainties depending on the needs of the use-case. We demonstrate the advantages of the $ECUAS_n$ metrics both theoretically and empirically, through experiments on diverse classification and generation datasets, including a manually annotated subset of TriviaQA.
Authors: Alexander Gebhard, Andreas Triantafyllopoulos, Dominik Arend, Sandra M\"uller, Svenja Schmidt, Michael Scherer-Lorenzen, Bj\"orn W. Schuller
Abstract: A soundscape is composed of three types of sound: biophony (sounds made by animals), geophony (natural abiotic sounds) and anthropophony (sounds made by humans). A key research question in the field of soundscape ecology is how these components interact with each other, specifically how biophony responds to geophony and anthropophony. Nevertheless, as of today, there are not many analytical instruments that enable the distinct quantification of these elements. Recent machine learning (ML) approaches aim to support automated analysis but often rely on task-specific or clean data, limiting generalisation to noisy passive acoustic monitoring (PAM) recordings. This study presents a clear and reproducible structure to build ML models for coarse soundscape classification and introduces CoarseSoundNet, a deep learning model trained to distinguish biophony, geophony, and anthropophony under realistic PAM conditions. We systematically investigate model architectures, the influence of an additional training class, data composition, and evaluation strategies. Our findings suggest that model performance improves with additional PAM data, especially when similar to the target domain, and by introducing an explicit silence class during training. Class-specific decision thresholds and duration-based constraints further enhance performance, particularly for anthropophony and geophony. Error analyses exhibit challenges for anthropophony due to masking effects and confusions for silence and insect sounds for geophony and biophony. Finally, we conduct an ecological case study which shows that pre-filtering recordings with CoarseSoundNet yields acoustic index trends comparable to ground-truth filtering, supporting its use as an effective preprocessing tool for ecoacoustic analyses.
Authors: Akshay Manglik (Emily), Apaar Shanker (Emily), Kaustubh Deshpande (Emily), Jason Qin (Emily), Yash Maurya (Emily), Veronica Chatrath (Emily), Vijay S. Kalmath (Emily), Levi Lentz (Emily), Yuan (Emily), Xue
Abstract: Diagnosing failures in LLM agents remains largely manual. Practitioners inspect a small subset of execution traces, form ad-hoc hypotheses, and iterate. This process misses patterns that only emerge across trace populations and does not scale to production corpora where individual traces span tens of thousands of tokens. We formalize the problem of corpus-level trace diagnostics. Given a corpus of execution traces, the goal is to produce grounded natural-language insights that characterize systematic behavioral patterns across trace groups, each linked to supporting evidence. We present the Insights Generator (IG), a multi-agent system that answers diagnostic questions by proposing and testing hypotheses across the trace corpus to produce an evidence-backed insights report. We evaluate IG across qualitative and objective dimensions, spanning rubric-based report assessment and downstream performance improvements achieved by implementing IG insights. Human experts using IG reports improve scaffold performance by 30.4pp over the unmodified baseline scaffold, and coding agents leveraging IG-derived insights show consistent and stable gains. Across benchmarks, IG's scout-investigator architecture produces findings comparable in detection coverage to competing approaches, while domain experts rated IG reports as leading depth and evidence quality.