Authors: Qianren Mao, Yashuo Luo, Ziqi Qin, Junnan Liu, Weifeng Jiang, Zhijun Chen, Zhuoran Li, Likang Xiao, Chuou Xu, Qili Zhang, Hanwen Hao, Jingzheng Li, Chunghua Lin, Jianxin Li, Philip S. Yu
Abstract: The lightweight semi-supervised learning (LSL) strategy provides an effective approach of conserving labeled samples and minimizing model inference costs. Prior research has effectively applied knowledge transfer learning and co-training regularization from large to small models in LSL. However, such training strategies are computationally intensive and prone to local optima, thereby increasing the difficulty of finding the optimal solution. This has prompted us to investigate the feasibility of integrating three low-cost scenarios for text mining tasks: limited labeled supervision, lightweight fine-tuning, and rapid-inference small models. We propose NanoNet, a novel framework for lightweight text mining that implements parameter-efficient learning with limited supervision. It employs online knowledge distillation to generate multiple small models and enhances their performance through mutual learning regularization. The entire process leverages parameter-efficient learning, reducing training costs and minimizing supervision requirements, ultimately yielding a lightweight model for downstream inference.
Authors: Purbak Sengupta, Sambeet Mishra, Sonal Shreya
Abstract: Wind power ramp events are difficult to forecast due to strong variability, multi-scale dynamics, and site-specific meteorological effects. This paper proposes an event-first, frequency-aware forecasting paradigm that directly predicts ramp events and reconstructs the power trajectory thereafter, rather than inferring events from dense forecasts. The framework is built on an enhanced Ramping Behaviour Analysis (RBA$_\theta$) method's event representation and progressively integrates statistical, machine-learning, and deep-learning models. Traditional forecasting models with post-hoc event extraction provides a strong interpretable baseline but exhibits limited generalisation across sites. Direct event prediction using Random Forests improves robustness over survival-based formulations, motivating fully event-aware modelling. To capture the multi-scale nature of wind ramps, we introduce an event-first deep architecture that integrates wavelet-based frequency decomposition, temporal excitation features, and adaptive feature selection. The resulting sequence models enable stable long-horizon event prediction, physically consistent trajectory reconstruction, and zero-shot transfer to previously unseen wind farms. Empirical analysis shows that ramp magnitude and duration are governed by distinct mid-frequency bands, allowing accurate signal reconstruction from sparse event forecasts. An agentic forecasting layer is proposed, in which specialised workflows are selected dynamically based on operational context. Together, the framework demonstrates that event-first, frequency-aware forecasting provides a transferable and operationally aligned alternative to trajectory-first wind-power prediction.
Authors: Zhaoyang Chen, Cody Fleming
Abstract: Modern large language models (LLMs) are powerful generators driven by statistical next-token prediction. While effective at producing fluent text, this design biases models toward high-probability continuations rather than exhaustive and faithful answers grounded in source content. As a result, directly applying LLMs lacks systematic mechanisms to ensure both completeness (avoiding omissions) and faithfulness (avoiding unsupported content), which fundamentally conflicts with core AI safety principles. To address this limitation, we present EVE, a structured framework for document-grounded reasoning. Unlike free-form prompting, EVE constrains generation to a structured, verifiable pipeline that decomposes high-rigor reasoning into extraction, validation, and enumeration. Empirically, this design enables consistent and simultaneous improvements in recall, precision, and F1-score: recall and precision increase by up to 24\% and 29\%, respectively, with a corresponding 31\% gain in F1-score. This effectively breaks the long-standing trade-off between coverage and accuracy typical of single-pass LLM generation, while also mitigating generation truncation caused by length limitations. At the same time, we emphasize that EVE exhibits performance saturation due to the inherent ambiguity of natural language, reflecting fundamental limits of language-based reasoning.
Authors: Yingke Li, Anjali Parashar, Enlu Zhou, Chuchu Fan
Abstract: Many engineering and scientific workflows depend on expensive black-box evaluations, requiring decision-making that simultaneously improves performance and reduces uncertainty. Bayesian optimization (BO) and Bayesian experimental design (BED) offer powerful yet largely separate treatments of goal-seeking and information-seeking, providing limited guidance for hybrid settings where learning and optimization are intrinsically coupled. We propose "pragmatic curiosity," a hybrid learning-optimization paradigm derived from active inference, in which actions are selected by minimizing the expected free energy--a single objective that couples pragmatic utility with epistemic information gain. We demonstrate the practical effectiveness and flexibility of pragmatic curiosity on various real-world hybrid tasks, including constrained system identification, targeted active search, and composite optimization with unknown preferences. Across these benchmarks, pragmatic curiosity consistently outperforms strong BO-type and BED-type baselines, delivering higher estimation accuracy, better critical-region coverage, and improved final solution quality.
Authors: Jos\'e Ram\'on Pareja Monturiol, Juliette Sinnott, Roger G. Melko, Mohammad Kohandel
Abstract: Machine learning in clinical settings must balance predictive accuracy, interpretability, and privacy. Models such as logistic regression (LR) offer transparency, while neural networks (NNs) provide greater predictive power; yet both remain vulnerable to privacy attacks. We empirically assess these risks by designing attacks that identify which public datasets were used to train a model under varying levels of adversarial access, applying them to LORIS, a publicly available LR model for immunotherapy response prediction, as well as to additional shallow NN models trained for the same task. Our results show that both models leak significant training-set information, with LRs proving particularly vulnerable in white-box scenarios. Moreover, we observe that common practices such as cross-validation in LRs exacerbate these risks. To mitigate these vulnerabilities, we propose a quantum-inspired defense based on tensorizing discretized models into tensor trains (TTs), which fully obfuscates parameters while preserving accuracy, reducing white-box attacks to random guessing and degrading black-box attacks comparably to Differential Privacy. TT models retain LR interpretability and extend it through efficient computation of marginal and conditional distributions, while also enabling this higher level of interpretability for NNs. Our results demonstrate that tensorization is widely applicable and establishes a practical foundation for private, interpretable, and effective clinical prediction.
Authors: Bruno Lopes Yamamoto, Lucas Lauton de Alcantara, Victor Zacarias, Leandro Giusti Mugnaini, Keith Ando Ogawa, Lucas Pellicer, Rosimeire Pereira Costa, Edson Bollis, Anna Helena Reali Costa, Artur Jordao
Abstract: The high computational demands of Large Language Models (LLMs) motivate methods that reduce parameter count and accelerate inference. In response, model pruning emerges as an effective strategy, yet current methods typically focus on a single dimension-depth or width. We introduce MoP (Mixture of Pruners), an iterative framework that unifies these dimensions. At each iteration, MoP generates two branches-pruning in depth versus pruning in width-and selects a candidate to advance the path. On LLaMA-2 and LLaMA-3, MoP advances the frontier of structured pruning, exceeding the accuracy of competing methods across a broad set of compression regimes. It also consistently outperforms depth-only and width-only pruning. Furthermore, MoP translates structural pruning into real speedup, reducing end-to-end latency by 39% at 40% compression. Finally, extending MoP to the vision-language model LLaVA-1.5, we notably improve computational efficiency and demonstrate that text-only recovery fine-tuning can restore performance even on visual tasks.
Authors: Olaf Yunus Laitinen Imanov, Derya Umut Kulali, Taner Yilmaz
Abstract: Climate hazards increasingly disrupt urban transportation and emergency-response operations by damaging housing stock, degrading infrastructure, and reducing network accessibility. This paper presents Skjold-DiT, a diffusion-transformer framework that integrates heterogeneous spatio-temporal urban data to forecast building-level climate-risk indicators while explicitly incorporating transportation-network structure and accessibility signals relevant to intelligent vehicles (e.g., emergency reachability and evacuation-route constraints). Concretely, Skjold-DiT enables hazard-conditioned routing constraints by producing calibrated, uncertainty-aware accessibility layers (reachability, travel-time inflation, and route redundancy) that can be consumed by intelligent-vehicle routing and emergency dispatch systems. Skjold-DiT combines: (1) Fjell-Prompt, a prompt-based conditioning interface designed to support cross-city transfer; (2) Norrland-Fusion, a cross-modal attention mechanism unifying hazard maps/imagery, building attributes, demographics, and transportation infrastructure into a shared latent representation; and (3) Valkyrie-Forecast, a counterfactual simulator for generating probabilistic risk trajectories under intervention prompts. We introduce the Baltic-Caspian Urban Resilience (BCUR) dataset with 847,392 building-level observations across six cities, including multi-hazard annotations (e.g., flood and heat indicators) and transportation accessibility features. Experiments evaluate prediction quality, cross-city generalization, calibration, and downstream transportation-relevant outcomes, including reachability and hazard-conditioned travel times under counterfactual interventions.
Authors: Yifu Qiu, Zheng Zhao, Waylon Li, Yftah Ziser, Anna Korhonen, Shay B. Cohen, Edoardo M. Ponti
Abstract: Internal modelling of the world -- predicting transitions between previous states $X$ and next states $Y$ under actions $Z$ -- is essential to reasoning and planning for LLMs and VLMs. Learning such models typically requires costly action-labelled trajectories. We propose SWIRL, a self-improvement framework that learns from state-only sequences by treating actions as a latent variable and alternating between Forward World Modelling (FWM) $P_\theta(Y|X,Z)$ and an Inverse Dynamics Modelling (IDM) $Q_\phi(Z|X,Y)$. SWIRL iterates two phases: (1) Variational Information Maximisation, which updates the FWM to generate next states that maximise conditional mutual information with latent actions given prior states, encouraging identifiable consistency; and (2) ELBO Maximisation, which updates the IDM to explain observed transitions, effectively performing coordinate ascent. Both models are trained with reinforcement learning (specifically, GRPO) with the opposite frozen model's log-probability as a reward signal. We provide theoretical learnability guarantees for both updates, and evaluate SWIRL on LLMs and VLMs across multiple environments: single-turn and multi-turn open-world visual dynamics and synthetic textual environments for physics, web, and tool calling. SWIRL achieves gains of 16% on AURORABench, 28% on ByteMorph, 16% on WorldPredictionBench, and 14% on StableToolBench.
Authors: Sudarshan Sreeram, Young D. Kwon, Cecilia Mascolo
Abstract: Test-time adaptation (TTA) offers a compelling remedy for machine learning (ML) models that degrade under domain shifts, improving generalisation on-the-fly with only unlabelled samples. This flexibility suits real deployments, yet conventional evaluations unrealistically assume unbounded processing time, overlooking the accuracy-latency trade-off. As ML increasingly underpins latency-sensitive and user-facing use-cases, temporal pressure constrains the viability of adaptable inference; predictions arriving too late to act on are futile. We introduce Tempora, a framework for evaluating TTA under this pressure. It consists of temporal scenarios that model deployment constraints, evaluation protocols that operationalise measurement, and time-contingent utility metrics that quantify the accuracy-latency trade-off. We instantiate the framework with three such metrics: (1) discrete utility for asynchronous streams with hard deadlines, (2) continuous utility for interactive settings where value decays with latency, and (3) amortised utility for budget-constrained deployments. Applying Tempora to seven TTA methods on ImageNet-C across 240 temporal evaluations reveals rank instability: conventional rankings do not predict rankings under temporal pressure; ETA, a state-of-the-art method in the conventional setting, falls short in 41.2% of evaluations. The highest-utility method varies with corruption type and temporal pressure, with no clear winner. By enabling systematic evaluation across diverse temporal constraints for the first time, Tempora reveals when and why rankings invert, offering practitioners a lens for method selection and researchers a target for deployable adaptation.
Authors: Fairoz Nower Khan, Nabuat Zaman Nahim, Ruiquan Huang, Haibo Yang, Peizhong Ju
Abstract: Generative policies based on diffusion models and flow matching have shown strong promise for offline reinforcement learning (RL), but their applicability remains largely confined to continuous action spaces. To address a broader range of offline RL settings, we extend flow matching to a general framework that supports discrete action spaces with multiple objectives. Specifically, we replace continuous flows with continuous-time Markov chains, trained using a Q-weighted flow matching objective. We then extend our design to multi-agent settings, mitigating the exponential growth of joint action spaces via a factorized conditional path. We theoretically show that, under idealized conditions, optimizing this objective recovers the optimal policy. Extensive experiments further demonstrate that our method performs robustly in practical scenarios, including high-dimensional control, multi-modal decision-making, and dynamically changing preferences over multiple objectives. Our discrete framework can also be applied to continuous-control problems through action quantization, providing a flexible trade-off between representational complexity and performance.
Authors: Prashant Mehta, Sean Meyn
Abstract: In recent work it is shown that Q-learning with linear function approximation is stable, in the sense of bounded parameter estimates, under the $(\varepsilon,\kappa)$-tamed Gibbs policy; $\kappa$ is inverse temperature, and $\varepsilon>0$ is introduced for additional exploration. Under these assumptions it also follows that there is a solution to the projected Bellman equation (PBE). Left open is uniqueness of the solution, and criteria for convergence outside of the standard tabular or linear MDP settings. The present work extends these results to other variants of Q-learning, and clarifies prior work: a one dimensional example shows that under an oblivious policy for training there may be no solution to the PBE, or multiple solutions, and in each case the algorithm is not stable under oblivious training. The main contribution is that far more structure is required for convergence. An example is presented for which the basis is ideal, in the sense that the true Q-function is in the span of the basis. However, there are two solutions to the PBE under the greedy policy, and hence also for the $(\varepsilon,\kappa)$-tamed Gibbs policy for all sufficiently small $\varepsilon>0$ and $\kappa\ge 1$.
Authors: Nurbek Tastan, Stefanos Laskaridis, Karthik Nandakumar, Samuel Horvath
Abstract: Mixture-of-Experts (MoE) models scale large language models efficiently by sparsely activating experts, but once an expert is selected, it is executed fully. Hence, the trade-off between accuracy and computation in an MoE model typically exhibits large discontinuities. We propose Mixture of Slimmable Experts (MoSE), an MoE architecture in which each expert has a nested, slimmable structure that can be executed at variable widths. This enables conditional computation not only over which experts are activated, but also over how much of each expert is utilized. Consequently, a single pretrained MoSE model can support a more continuous spectrum of accuracy-compute trade-offs at inference time. We present a simple and stable training recipe for slimmable experts under sparse routing, combining multi-width training with standard MoE objectives. During inference, we explore strategies for runtime width determination, including a lightweight test-time training mechanism that learns how to map router confidence/probabilities to expert widths under a fixed budget. Experiments on GPT models trained on OpenWebText demonstrate that MoSE matches or improves upon standard MoE at full width and consistently shifts the Pareto frontier for accuracy vs. cost, achieving comparable performance with significantly fewer FLOPs.
Authors: Wei Wei, Yizhou Zeng, Kuntian Chen, Sophie Langer, Mariia Seleznova, Hung-Hsu Chou
Abstract: Diffusion models rely on a high-dimensional latent space of initial noise seeds, yet it remains unclear whether this space contains sufficient structure to predict properties of the generated samples, such as their classes. In this work, we investigate the emergence of latent structure through the lens of confidence scores assigned by a pre-trained classifier to generated samples. We show that while the latent space appears largely unstructured when considering all noise realizations, restricting attention to initial noise seeds that produce high-confidence samples reveals pronounced class separability. By comparing class predictability across noise subsets of varying confidence and examining the class separability of the latent space, we find evidence of class-relevant latent structure that becomes observable only under confidence-based filtering. As a practical implication, we discuss how confidence-based filtering enables conditional generation as an alternative to guidance-based methods.
Authors: Cihan Ruan, Lebin Zhou, Rongduo Han, Linyi Han, Bingqing Zhao, Chenchen Zhu, Wei Jiang, Wei Wang, Nam Ling
Abstract: DNA storage has matured from concept to practical stage, yet its integration with neural compression pipelines remains inefficient. Early DNA encoders applied redundancy-heavy constraint layers atop raw binary data - workable but primitive. Recent neural codecs compress data into learned latent representations with rich statistical structure, yet still convert these latents to DNA via naive binary-to-quaternary transcoding, discarding the entropy model's optimization. This mismatch undermines compression efficiency and complicates the encoding stack. A plug-in module that collapses latent compression and DNA encoding into a single step. SCONE performs quaternary arithmetic coding directly on the latent space in DNA bases. Its Constraint-Aware Adaptive Coding module dynamically steers the entropy encoder's learned probability distribution to enforce biochemical constraints - Guanine-Cytosine (GC) balance and homopolymer suppression - deterministically during encoding, eliminating post-hoc correction. The design preserves full reversibility and exploits the hyperprior model's learned priors without modification. Experiments show SCONE achieves near-perfect constraint satisfaction with negligible computational overhead (<2% latency), establishing a latent-agnostic interface for end-to-end DNA-compatible learned codecs.
Authors: Meghana Madhyastha, Daniel Haziza, Jesse Cai, Newsha Ardalani, Zhiqi Bu, Carole-Jean Wu
Abstract: Trainings of Large Language Models are generally bottlenecked by matrix multiplications. In the Transformer architecture, a large portion of these operations happens in the Feed Forward Network (FFN), and this portion increases for larger models, up to 50% of the total pretraining floating point operations. We show that we can leverage hardware-accelerated sparsity to accelerate all matrix multiplications in the FFN, with 2:4 sparsity for weights and v:n:m (Venom) sparsity for activations. Our recipe relies on sparse training steps to accelerate a large part of the pretraining, associated with regular dense training steps towards the end. Overall, models trained with this approach exhibit the same performance on our quality benchmarks, and can speed up training end-to-end by 1.4 to 1.7x. This approach is applicable to all NVIDIA GPUs starting with the A100 generation, and is orthogonal to common optimization techniques, such as, quantization, and can also be applied to mixture-of-experts model architectures.
Authors: Radmehr Karimian, Amirhossein Bagheri, Meghdad Kurmanji, Nicholas D. Lane, Gholamali Aminian
Abstract: Federated Learning (FL) has emerged as a powerful paradigm for collaborative machine learning across decentralized data sources, preserving privacy by keeping data local. However, increasing legal and ethical demands, such as the "right to be forgotten", and the need to mitigate data poisoning attacks have underscored the urgent necessity for principled data unlearning in FL. Unlike centralized settings, the distributed nature of FL complicates the removal of individual data contributions. In this paper, we propose a novel federated unlearning framework formulated as a min-max optimization problem, where the objective is to maximize an $f$-divergence between the model trained with all data and the model retrained without specific data points, while minimizing the degradation on retained data. Our framework could act like a plugin and be added to almost any federated setup, unlike SOTA methods like (\cite{10269017} which requires model degradation in server, or \cite{khalil2025notfederatedunlearningweight} which requires to involve model architecture and model weights). This formulation allows for efficient approximation of data removal effects in a federated setting. We provide empirical evaluations to show that our method achieves significant speedups over naive retraining, with minimal impact on utility.
Authors: Nan Chen, Soledad Villar, Soufiane Hayou
Abstract: Low-Rank Adaptation (LoRA) is a standard tool for parameter-efficient finetuning of large models. While it induces a small memory footprint, its training dynamics can be surprisingly complex as they depend on several hyperparameters such as initialization, adapter rank, and learning rate. In particular, it is unclear how the optimal learning rate scales with adapter rank, which forces practitioners to re-tune the learning rate whenever the rank is changed. In this paper, we introduce Maximal-Update Adaptation ($\mu$A), a theoretical framework that characterizes how the "optimal" learning rate should scale with model width and adapter rank to produce stable, non-vanishing feature updates under standard configurations. $\mu$A is inspired from the Maximal-Update Parametrization ($\mu$P) in pretraining. Our analysis leverages techniques from hyperparameter transfer and reveals that the optimal learning rate exhibits different scaling patterns depending on initialization and LoRA scaling factor. Specifically, we identify two regimes: one where the optimal learning rate remains roughly invariant across ranks, and another where it scales inversely with rank. We further identify a configuration that allows learning rate transfer from LoRA to full finetuning, drastically reducing the cost of learning rate tuning for full finetuning. Experiments across language, vision, vision--language, image generation, and reinforcement learning tasks validate our scaling rules and show that learning rates tuned on LoRA transfer reliably to full finetuning.
Authors: Akshit Achara, Tatiana Gaintseva, Mateo Mahaut, Pritish Chakraborty, Viktor Stenby Johansson, Melih Barsbey, Emanuele Rodol\`a, Donato Crisostomi
Abstract: The Platonic Representation Hypothesis suggests that independently trained neural networks converge to increasingly similar latent spaces. However, current strategies for mapping these representations are inherently pairwise, scaling quadratically with the number of models and failing to yield a consistent global reference. In this paper, we study the alignment of $M \ge 3$ models. We first adapt Generalized Procrustes Analysis (GPA) to construct a shared orthogonal universe that preserves the internal geometry essential for tasks like model stitching. We then show that strict isometric alignment is suboptimal for retrieval, where agreement-maximizing methods like Canonical Correlation Analysis (CCA) typically prevail. To bridge this gap, we finally propose Geometry-Corrected Procrustes Alignment (GCPA), which establishes a robust GPA-based universe followed by a post-hoc correction for directional mismatch. Extensive experiments demonstrate that GCPA consistently improves any-to-any retrieval while retaining a practical shared reference space.
Authors: Alec S. Xu, Can Yaras, Matthew Asato, Qing Qu, Laura Balzano
Abstract: Recent empirical evidence has demonstrated that the training dynamics of large-scale deep neural networks occur within low-dimensional subspaces. While this has inspired new research into low-rank training, compression, and adaptation, theoretical justification for these dynamics in nonlinear networks remains limited. %compared to deep linear settings. To address this gap, this paper analyzes the learning dynamics of multi-layer perceptrons (MLPs) under gradient descent (GD). We demonstrate that the weight dynamics concentrate within invariant low-dimensional subspaces throughout training. Theoretically, we precisely characterize these invariant subspaces for two-layer networks with smooth nonlinear activations, providing insight into their emergence. Experimentally, we validate that this phenomenon extends beyond our theoretical assumptions. Leveraging these insights, we empirically show there exists a low-rank MLP parameterization that, when initialized within the appropriate subspaces, matches the classification performance of fully-parameterized counterparts on a variety of classification tasks.
Authors: Shyam Sundar Murali Krishnan, Dean Frederick Hougen
Abstract: The growth of machine learning demands interpretable models for critical applications, yet most high-performing models are ``black-box'' systems that obscure input-output relationships, while traditional rule-based algorithms like RuleFit suffer from a lack of predictive power and instability despite their simplicity. This motivated our development of Sparse Relaxed Regularized Regression Rule-Fit (SR4-Fit), a novel interpretable classification algorithm that addresses these limitations while maintaining superior classification performance. Using demographic characteristics of U.S. congressional districts from the Census Bureau's American Community Survey, we demonstrate that SR4-Fit can predict House election party outcomes with unprecedented accuracy and interpretability. Our results show that while the majority party remains the strongest predictor, SR4-Fit has revealed intrinsic combinations of demographic factors that affect prediction outcomes that were unable to be interpreted in black-box algorithms such as random forests. The SR4-Fit algorithm surpasses both black-box models and existing interpretable rule-based algorithms such as RuleFit with respect to accuracy, simplicity, and robustness, generating stable and interpretable rule sets while maintaining superior predictive performance, thus addressing the traditional trade-off between model interpretability and predictive capability in electoral forecasting. To further validate SR4-Fit's performance, we also apply it to six additional publicly available classification datasets, like the breast cancer, Ecoli, page blocks, Pima Indians, vehicle, and yeast datasets, and find similar results.
Authors: Ziyao Zeng, Chen Liu, Tianyu Liu, Hao Wang, Xiatao Sun, Fengyu Yang, Xiaofeng Liu, Zhiwen Fan
Abstract: Game balancing is a longstanding challenge requiring repeated playtesting, expert intuition, and extensive manual tuning. We introduce RuleSmith, the first framework that achieves automated game balancing by leveraging the reasoning capabilities of multi-agent LLMs. It couples a game engine, multi-agent LLMs self-play, and Bayesian optimization operating over a multi-dimensional rule space. As a proof of concept, we instantiate RuleSmith on CivMini, a simplified civilization-style game containing heterogeneous factions, economy systems, production rules, and combat mechanics, all governed by tunable parameters. LLM agents interpret textual rulebooks and game states to generate actions, to conduct fast evaluation of balance metrics such as win-rate disparities. To search the parameter landscape efficiently, we integrate Bayesian optimization with acquisition-based adaptive sampling and discrete projection: promising candidates receive more evaluation games for accurate assessment, while exploratory candidates receive fewer games for efficient exploration. Experiments show that RuleSmith converges to highly balanced configurations and provides interpretable rule adjustments that can be directly applied to downstream game systems. Our results illustrate that LLM simulation can serve as a powerful surrogate for automating design and balancing in complex multi-agent environments.
Authors: Adam Barla, Emanuele Nevali, Luca Viano, Volkan Cevher
Abstract: We introduce PEPO (Pessimistic Ensemble based Preference Optimization), a single-step Direct Preference Optimization (DPO)-like algorithm to mitigate the well-known over-optimization issue in preference learning without requiring the knowledge of the data-generating distribution or learning an explicit reward model. PEPO achieves pessimism via an ensemble of preference-optimized policies trained on disjoint data subsets and then aggregates them through a worst case construction that favors the agreement across models. In the tabular setting, PEPO achieves sample complexity guarantees depending only on a single-policy concentrability coefficient, thus avoiding the all-policy concentrability which affects the guarantees of algorithms prone to over-optimization, such as DPO. The theoretical findings are corroborated by a convincing practical performance, while retaining the simplicity and the practicality of DPO-style training.
Authors: Yu Zhang, Sean Bin Yang, Arijit Khan, Cuneyt Gurcan Akcora
Abstract: Counterfactual explanations offer an intuitive way to interpret graph neural networks (GNNs) by identifying minimal changes that alter a model's prediction, thereby answering "what must differ for a different outcome?". In this work, we propose a novel framework, ATEX-CF that unifies adversarial attack techniques with counterfactual explanation generation-a connection made feasible by their shared goal of flipping a node's prediction, yet differing in perturbation strategy: adversarial attacks often rely on edge additions, while counterfactual methods typically use deletions. Unlike traditional approaches that treat explanation and attack separately, our method efficiently integrates both edge additions and deletions, grounded in theory, leveraging adversarial insights to explore impactful counterfactuals. In addition, by jointly optimizing fidelity, sparsity, and plausibility under a constrained perturbation budget, our method produces instance-level explanations that are both informative and realistic. Experiments on synthetic and real-world node classification benchmarks demonstrate that ATEX-CF generates faithful, concise, and plausible explanations, highlighting the effectiveness of integrating adversarial insights into counterfactual reasoning for GNNs.
Authors: Alix Benoit (EMPA), Toni Ivas (EMPA), Mateusz Papierz (Terra Quantum AG), Asel Sagingalieva (Terra Quantum AG), Alexey Melnikov (Terra Quantum AG), Elia Iseli (EMPA)
Abstract: High-fidelity simulations of laser welding capture complex thermo-fluid phenomena, including phase change, free-surface deformation, and keyhole dynamics, however their computational cost limits large-scale process exploration and real-time use. In this work we present the Laser Processing Fourier Neural Operator (LP-FNO), a Fourier Neural Operator (FNO) based surrogate model that learns the parametric solution operator of various laser processes from multiphysics simulations generated with FLOW-3D WELD (registered trademark). Through a novel approach of reformulating the transient problem in the moving laser frame and applying temporal averaging, the system results in a quasi-steady state setting suitable for operator learning, even in the keyhole welding regime. The proposed LP-FNO maps process parameters to three-dimensional temperature fields and melt-pool boundaries across a broad process window spanning conduction and keyhole regimes using the non-dimensional normalized enthalpy formulation. The model achieves temperature prediction errors on the order of 1% and intersection-over-union scores for melt-pool segmentation over 0.9. We demonstrate that a LP-FNO model trained on coarse-resolution data can be evaluated on finer grids, yielding accurate super-resolved predictions in mesh-converged conduction regimes, whereas discrepancies in keyhole regimes reflect unresolved dynamics in the coarse-mesh training data. These results indicate that the LP-FNO provides an efficient surrogate modeling framework for laser welding, enabling prediction of full three-dimensional fields and phase interfaces over wide parameter ranges in just tens of milliseconds, up to a hundred thousand times faster than traditional Finite Volume multi-physics software.
Authors: Yigit Efe Erginbas, Justin Singh Kang, Elizabeth Polito, Kannan Ramchandran
Abstract: We consider the problem of exactly learning an $s$-sparse real-valued Boolean polynomial of degree $d$ of the form $f:\{ 0,1\}^n \rightarrow \mathbb{R}$. This problem corresponds to decomposing functions in the AND basis and is known as taking a M\"obius transform. While the analogous problem for the parity basis (Fourier transform) $f: \{-1,1 \}^n \rightarrow \mathbb{R}$ is well-understood, the AND basis presents a unique challenge: the basis vectors are coherent, precluding standard compressed sensing methods. We overcome this challenge by identifying that we can exploit adaptive group testing to provide a constructive, query-efficient implementation of the M\"obius transform (also known as M\"obius inversion) for sparse functions. We present two algorithms based on this insight. The Fully-Adaptive Sparse M\"obius Transform (FASMT) uses $O(sd \log(n/d))$ adaptive queries in $O((sd + n) sd \log(n/d))$ time, which we show is near-optimal in query complexity. Furthermore, we also present the Partially-Adaptive Sparse M\"obius Transform (PASMT), which uses $O(sd^2\log(n/d))$ queries, trading a factor of $d$ to reduce the number of adaptive rounds to $O(d^2\log(n/d))$, with no dependence on $s$. When applied to hypergraph reconstruction from edge-count queries, our results improve upon baselines by avoiding the combinatorial explosion in the rank $d$. We demonstrate the practical utility of our method for hypergraph reconstruction by applying it to learning real hypergraphs in simulations.
Authors: Patryk Rybak, Pawe{\l} Batorski, Paul Swoboda, Przemys{\l}aw Spurek
Abstract: Machine unlearning for LLMs aims to remove sensitive or copyrighted data from trained models. However, the true efficacy of current unlearning methods remains uncertain. Standard evaluation metrics rely on benign queries that often mistake superficial information suppression for genuine knowledge removal. Such metrics fail to detect residual knowledge that more sophisticated prompting strategies could still extract. We introduce REBEL, an evolutionary approach for adversarial prompt generation designed to probe whether unlearned data can still be recovered. Our experiments demonstrate that REBEL successfully elicits ``forgotten'' knowledge from models that seemed to be forgotten in standard unlearning benchmarks, revealing that current unlearning methods may provide only a superficial layer of protection. We validate our framework on subsets of the TOFU and WMDP benchmarks, evaluating performance across a diverse suite of unlearning algorithms. Our experiments show that REBEL consistently outperforms static baselines, recovering ``forgotten'' knowledge with Attack Success Rates (ASRs) reaching up to 60% on TOFU and 93% on WMDP. We will make all code publicly available upon acceptance. Code is available at https://github.com/patryk-rybak/REBEL/
Authors: Navita Goyal, Hal Daum\'e III
Abstract: Model steering, which involves intervening on hidden representations at inference time, has emerged as a lightweight alternative to finetuning for precisely controlling large language models. While steering efficacy has been widely studied, evaluations of whether interventions alter only the intended property remain limited, especially with respect to unintended changes in behaviors related to the target property. We call this notion specificity. We propose a framework that distinguishes three dimensions of specificity: general (preserving fluency and unrelated abilities), control (preserving related control properties), and robustness (preserving control properties under distribution shifts). We study two safety-critical use cases: steering models to reduce overrefusal and faithfulness hallucinations, and show that while steering achieves high efficacy and largely maintains general and control specificity, it consistently fails to preserve robustness specificity. In the case of overrefusal steering, for example, all steering methods reduce overrefusal without harming general abilities and refusal on harmful queries; however, they substantially increase vulnerability to jailbreaks. Our work provides the first systematic evaluation of specificity in model steering, showing that standard efficacy and specificity checks are insufficient, because without robustness evaluation, steering methods may appear reliable even when they compromise model safety.
Authors: Chase Hutton, Adam Melrod, Han Shao
Abstract: Online strategic classification studies settings in which agents strategically modify their features to obtain favorable predictions. For example, given a classifier that determines loan approval based on credit scores, applicants may open or close credit cards and bank accounts to obtain a positive prediction. The learning goal is to achieve low mistake or regret bounds despite such strategic behavior. While randomized algorithms have the potential to offer advantages to the learner in strategic settings, they have been largely underexplored. In the realizable setting, no lower bound is known for randomized algorithms, and existing lower bound constructions for deterministic learners can be circumvented by randomization. In the agnostic setting, the best known regret upper bound is $O(T^{3/4}\log^{1/4}T|\mathcal H|)$, which is far from the standard online learning rate of $O(\sqrt{T\log|\mathcal H|})$. In this work, we provide refined bounds for online strategic classification in both settings. In the realizable setting, we extend, for $T > \mathrm{Ldim}(\mathcal{H}) \Delta^2$, the existing lower bound $\Omega(\mathrm{Ldim}(\mathcal{H}) \Delta)$ for deterministic learners to all learners. This yields the first lower bound that applies to randomized learners. We also provide the first randomized learner that improves the known (deterministic) upper bound of $O(\mathrm{Ldim}(\mathcal H) \cdot \Delta \log \Delta)$. In the agnostic setting, we give a proper learner using convex optimization techniques to improve the regret upper bound to $O(\sqrt{T \log |\mathcal{H}|} + |\mathcal{H}| \log(T|\mathcal{H}|))$. We show a matching lower bound up to logarithmic factors for all proper learning rules, demonstrating the optimality of our learner among proper learners. As such, improper learning is necessary to further improve regret guarantees.
Authors: Mark Russinovich, Yanan Cai, Keegan Hines, Giorgio Severi, Blake Bullwinkel, Ahmed Salem
Abstract: Safety alignment is only as robust as its weakest failure mode. Despite extensive work on safety post-training, it has been shown that models can be readily unaligned through post-deployment fine-tuning. However, these methods often require extensive data curation and degrade model utility. In this work, we extend the practical limits of unalignment by introducing GRP-Obliteration (GRP-Oblit), a method that uses Group Relative Policy Optimization (GRPO) to directly remove safety constraints from target models. We show that a single unlabeled prompt is sufficient to reliably unalign safety-aligned models while largely preserving their utility, and that GRP-Oblit achieves stronger unalignment on average than existing state-of-the-art techniques. Moreover, GRP-Oblit generalizes beyond language models and can also unalign diffusion-based image generation systems. We evaluate GRP-Oblit on six utility benchmarks and five safety benchmarks across fifteen 7-20B parameter models, spanning instruct and reasoning models, as well as dense and MoE architectures. The evaluated model families include GPT-OSS, distilled DeepSeek, Gemma, Llama, Ministral, and Qwen.
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 $O(d^{3/2} \sqrt{T})$ linear swap regret for a general convex set and $O(d \sqrt{T})$ when the set is centrally symmetric. Our approach leverages the powerful response-based approachability framework of Bernstein and Shimkin (JMLR '15) -- previously overlooked in the line of work on swap regret minimization -- combined with geometric preconditioning via the John ellipsoid. Our algorithm 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: Vinh Hoang, Sebastian Krumscheid, Holger Rauhut, Ra\'ul Tempone
Abstract: We propose a novel deterministic purification method to improve adversarial robustness by mapping a potentially adversarial sample toward a nearby sample that lies close to a mode of the data distribution, where classifiers are more reliable. We design the method to be deterministic to ensure reliable test accuracy and to prevent the degradation of effective robustness observed in stochastic purification approaches when the adversary has full knowledge of the system and its randomness. We employ a score model trained by minimizing the expected reconstruction error of noise-corrupted data, thereby learning the structural characteristics of the input data distribution. Given a potentially adversarial input, the method searches within its local neighborhood for a purified sample that minimizes the expected reconstruction error under noise corruption and then feeds this purified sample to the classifier. During purification, sharpness-aware minimization is used to guide the purified samples toward flat regions of the expected reconstruction error landscape, thereby enhancing robustness. We further show that, as the noise level decreases, minimizing the expected reconstruction error biases the purified sample toward local maximizers of the Gaussian-smoothed density; under additional local assumptions on the score model, we prove recovery of a local maximizer in the small-noise limit. Experimental results demonstrate significant gains in adversarial robustness over state-of-the-art methods under strong deterministic white-box attacks.
Authors: Lorne Applebaum, Robert Busa-Fekete, August Y. Chen, Claudio Gentile, Tomer Koren, Aryan Mokhtari
Abstract: We address the problem of training conversion prediction models in advertising domains under privacy constraints, where direct links between ad clicks and conversions are unavailable. Motivated by privacy-preserving browser APIs and the deprecation of third-party cookies, we study a setting where the learner observes a sequence of clicks and a sequence of conversions, but can only link a conversion to a set of candidate clicks (an attribution set) rather than a unique source. We formalize this as learning from attribution sets generated by an oblivious adversary equipped with a prior distribution over the candidates. Despite the lack of explicit labels, we construct an unbiased estimator of the population loss from these coarse signals via a novel approach. Leveraging this estimator, we show that Empirical Risk Minimization achieves generalization guarantees that scale with the informativeness of the prior and is also robust against estimation errors in the prior, despite complex dependencies among attribution sets. Simple empirical evaluations on standard datasets suggest our unbiased approach significantly outperforms common industry heuristics, particularly in regimes where attribution sets are large or overlapping.
Authors: Sahil Joshi, Agniva Chowdhury, Wyatt Bellinger, Amar Kanakamedala, Ekam Singh, Hoang Anh Duy Le, Aditya Desai, Anshumali Shrivastava
Abstract: Exploiting sparsity during long-context inference is central to scaling large language models, as attention dominates the cost of autoregressive decoding. Sparse attention reduces this cost by restricting computation to a subset of tokens, but its effectiveness depends critically on efficient scoring and selection of relevant tokens at inference time. We revisit Locality-Sensitive Hashing (LSH) as a sparsification primitive and introduce SOCKET, a SOft Collision Kernel EsTimator that replaces hard bucket matches with probabilistic, similarity-aware aggregation. Our key insight is that hard LSH produces discrete collision signals and is therefore poorly suited for ranking. In contrast, soft LSH aggregates graded collision evidence across hash tables, preserving the stability of relative ordering among the true top-$k$ tokens. This transformation elevates LSH from a candidate-generation heuristic to a principled and mathematically grounded scoring kernel for sparse attention. Leveraging this property, SOCKET enables efficient token selection without ad-hoc voting mechanism, and matches or surpasses established sparse attention baselines across multiple long-context benchmarks using diverse set of models. With a custom CUDA kernel for scoring keys and a Flash Decode Triton backend for sparse attention, SOCKET achieves up to 1.5$\times$ higher throughput than FlashAttention, making it an effective tool for long-context inference. Code is open-sourced at https://github.com/amarka8/SOCKET.
Authors: Parsa Gooya, Reinel Sospedra-Alfonso, Johannes Exenberger
Abstract: Accurately quantifying uncertainty in predictions and projections arising from irreducible internal climate variability is critical for informed decision making. Such uncertainty is typically assessed using ensembles produced with physics based climate models. However, computational constraints impose a trade off between generating the large ensembles required for robust uncertainty estimation and increasing model resolution to better capture fine scale dynamics. Generative machine learning offers a promising pathway to alleviate these constraints. We develop a conditional Variational Autoencoder (cVAE) trained on a limited sample of climate simulations to generate arbitrary large ensembles. The approach is applied to output from monthly CMIP6 historical and future scenario experiments produced with the Canadian Centre for Climate Modelling and Analysis' (CCCma's) Earth system model CanESM5. We show that the cVAE model learns the underlying distribution of the data and generates physically consistent samples that reproduce realistic low and high moment statistics, including extremes. Compared with more sophisticated generative architectures, cVAEs offer a mathematically transparent, interpretable, and computationally efficient framework. Their simplicity lead to some limitations, such as overly smooth outputs, spectral bias, and underdispersion, that we discuss along with strategies to mitigate them. Specifically, we show that incorporating output noise improves the representation of climate relevant multiscale variability, and we propose a simple method to achieve this. Finally, we show that cVAE-enhanced ensembles capture realistic global teleconnection patterns, even under climate conditions absent from the training data.
Authors: Jorge L. Ruiz Williams
Abstract: We present the Condensate Theorem: attention sparsity is a learned topological property, not an architectural constraint. Through empirical analysis of trained language models, we find that attention mass concentrates on a distinct topological manifold -- and this manifold can be identified dynamically without checking every position. We prove a general result: for any query, projecting attention onto the Condensate Manifold (Anchor + Window + Dynamic Top-k) achieves 100% output equivalence with full $O(n^2)$ attention. This is not an approximation -- it is lossless parity. We validate this across GPT-2, Pythia, Qwen2, TinyLlama, and Mistral, demonstrating bit-exact token matching on 1,500+ generated tokens. By mapping this topology to hardware, our Topological Attention kernel achieves a 159x measured speedup at 131K tokens (3.94ms vs 628ms) and a projected >1,200x speedup at 1M tokens, reducing inference costs by >99.9% compared to Flash Attention. We conclude that the quadratic bottleneck is an artifact of naive implementation, not intelligence.
Authors: Yiqi Su, Ray Lee, Jiaming Cui, Naren Ramakrishnan
Abstract: Epidemiological forecasting from surveillance data is a hard problem and hybridizing mechanistic compartmental models with neural models is a natural direction. The mechanistic structure helps keep trajectories epidemiologically plausible, while neural components can capture non-stationary, data-adaptive effects. In practice, however, many seemingly straightforward couplings fail under partial observability and continually shifting transmission dynamics driven by behavior, waning immunity, seasonality, and interventions. We catalog these failure modes and show that robust performance requires making non-stationarity explicit: we extract multi-scale structure from the observed infection series and use it as an interpretable control signal for a controlled neural ODE coupled to an epidemiological model. Concretely, we decompose infections into trend, seasonal, and residual components and use these signals to drive continuous-time latent dynamics while jointly forecasting and inferring time-varying transmission, recovery, and immunity-loss rates. Across seasonal and non-seasonal settings, including early outbreaks and multi-wave regimes, our approach reduces long-horizon RMSE by 15-35%, improves peak timing error by 1-3 weeks, and lowers peak magnitude bias by up to 30% relative to strong time-series, neural ODE, and hybrid baselines, without relying on auxiliary covariates.
Authors: Aoi Yoshimura, Gouhei Tanaka
Abstract: Reinforcement learning (RL) policies trained in simulation often suffer from severe performance degradation when deployed in real-world environments due to non-stationary dynamics. While Domain Randomization (DR) and meta-RL have been proposed to address this issue, they typically rely on extensive pretraining, privileged information, or high computational cost, limiting their applicability to real-time and edge systems. In this paper, we propose a lightweight online adaptation framework for RL based on Reservoir Computing. Specifically, we integrate an Echo State Networks (ESNs) as an adaptation module that encodes recent observation histories into a latent context representation, and update its readout weights online using Recursive Least Squares (RLS). This design enables rapid adaptation without backpropagation, pretraining, or access to privileged information. We evaluate the proposed method on CartPole and HalfCheetah tasks with severe and abrupt environment changes, including periodic external disturbances and extreme friction variations. Experimental results demonstrate that the proposed approach significantly outperforms DR and representative adaptive baselines under out-of-distribution dynamics, achieving stable adaptation within a few control steps. Notably, the method successfully handles intra-episode environment changes without resetting the policy. Due to its computational efficiency and stability, the proposed framework provides a practical solution for online adaptation in non-stationary environments and is well suited for real-world robotic control and edge deployment.
Authors: Ningkang Peng, Kun Shao, Jingyang Mao, Linjing Qian, Xiaoqian Peng, Xichen Yang, Yanhui Gu
Abstract: Deploying trustworthy AI in open-world environments faces a dual challenge: the necessity for robust Out-of-Distribution (OOD) detection to ensure system safety, and the demand for flexible machine unlearning to satisfy privacy compliance and model rectification. However, this objective encounters a fundamental geometric contradiction: current OOD detectors rely on a static and compact data manifold, whereas traditional classification-oriented unlearning methods disrupt this delicate structure, leading to a catastrophic loss of the model's capability to discriminate anomalies while erasing target classes. To resolve this dilemma, we first define the problem of boundary-preserving class unlearning and propose a pivotal conceptual shift: in the context of OOD detection, effective unlearning is mathematically equivalent to transforming the target class into OOD samples. Based on this, we propose the TFER (Total Free Energy Repulsion) framework. Inspired by the free energy principle, TFER constructs a novel Push-Pull game mechanism: it anchors retained classes within a low-energy ID manifold through a pull mechanism, while actively expelling forgotten classes to high-energy OOD regions using a free energy repulsion force. This approach is implemented via parameter-efficient fine-tuning, circumventing the prohibitive cost of full retraining. Extensive experiments demonstrate that TFER achieves precise unlearning while maximally preserving the model's discriminative performance on remaining classes and external OOD data. More importantly, our study reveals that the unique Push-Pull equilibrium of TFER endows the model with inherent structural stability, allowing it to effectively resist catastrophic forgetting without complex additional constraints, thereby demonstrating exceptional potential in continual unlearning tasks.
Authors: Shinji Ito, Haipeng Luo, Arnab Maiti, Taira Tsuchiya, Yue Wu
Abstract: Learning to play zero-sum games is a fundamental problem in game theory and machine learning. While significant progress has been made in minimizing external regret in the self-play settings or with full-information feedback, real-world applications often force learners to play against unknown, arbitrary opponents and restrict learners to bandit feedback where only the payoff of the realized action is observable. In such challenging settings, it is well-known that $\Omega(\sqrt{T})$ external regret is unavoidable (where T is the number of rounds). To overcome this barrier, we investigate adversarial learning in zero-sum games under bandit feedback, aiming to minimize the deficit against the maximin pure strategy -- a metric we term Pure-Strategy Maximin Regret. We analyze this problem under two bandit feedback models: uninformed (only the realized reward is revealed) and informed (both the reward and the opponent's action are revealed). For uninformed bandit learning of normal-form games, we show that the Tsallis-INF algorithm achieves $O(c \log T)$ instance-dependent regret with a game-dependent parameter $c$. Crucially, we prove an information-theoretic lower bound showing that the dependence on c is necessary. To overcome this hardness, we turn to the informed setting and introduce Maximin-UCB, which obtains another regret bound of the form $O(c' \log T)$ for a different game-dependent parameter $c'$ that could potentially be much smaller than $c$. Finally, we generalize both results to bilinear games over an arbitrary, large action set, proposing Tsallis-FTRL-SPM and Maximin-LinUCB for the uninformed and informed setting respectively and establishing similar game-dependent logarithmic regret bounds.
Authors: Jia-Le Xu, Shen-Huan Lyu, Yu-Nian Wang, Ning Chen, Zhihao Qu, Bin Tang, Baoliu Ye
Abstract: Label distribution learning (LDL) requires the learner to predict the degree of correlation between each sample and each label. To achieve this, a crucial task during learning is to leverage the correlation among labels. Deep Forest (DF) is a deep learning framework based on tree ensembles, whose training phase does not rely on backpropagation. DF performs in-model feature transform using the prediction of each layer and achieves competitive performance on many tasks. However, its exploration in the field of LDL is still in its infancy. The few existing methods that apply DF to the field of LDL do not have effective ways to utilize the correlation among labels. Therefore, we propose a method named Enhanced and Reused Feature Deep Forest (ERDF). It mainly contains two mechanisms: feature enhancement exploiting label correlation and measure-aware feature reuse. The first one is to utilize the correlation among labels to enhance the original features, enabling the samples to acquire more comprehensive information for the task of LDL. The second one performs a reuse operation on the features of samples that perform worse than the previous layer on the validation set, in order to ensure the stability of the training process. This kind of Enhance-Reuse pattern not only enables samples to enrich their features but also validates the effectiveness of their new features and conducts a reuse process to prevent the noise from spreading further. Experiments show that our method outperforms other comparison algorithms on six evaluation metrics.
Authors: Jackie Baek, Yunhan Chen, Ziyu Chi, Will Ma
Abstract: LLMs can generate a wealth of data, ranging from simulated personas imitating human valuations and preferences, to demand forecasts based on world knowledge. But how well do such LLM-generated distributions support downstream decision-making? For example, when pricing a new product, a firm could prompt an LLM to simulate how much consumers are willing to pay based on a product description, but how useful is the resulting distribution for optimizing the price? We refer to this approach as LLM-SAA, in which an LLM is used to construct an estimated distribution and the decision is then optimized under that distribution. In this paper, we study metrics to evaluate the quality of these LLM-generated distributions, based on the decisions they induce. Taking three canonical decision-making problems (assortment optimization, pricing, and newsvendor) as examples, we find that LLM-generated distributions are practically useful, especially in low-data regimes. We also show that decision-agnostic metrics such as Wasserstein distance can be misleading when evaluating these distributions for decision-making.
Authors: Xiyang Zhang, Yuanhe Tian, Hongzhi Wang, Yan Song
Abstract: Fine-tuning large language models (LLMs) for specialized domains often necessitates a trade-off between acquiring domain expertise and retaining general reasoning capabilities, a phenomenon known as catastrophic forgetting. Existing remedies face a dichotomy: gradient surgery methods offer geometric safety but incur prohibitive computational costs via online projections, while efficient data selection approaches reduce overhead but remain blind to conflict-inducing gradient directions. In this paper, we propose Orthogonal Gradient Selection (OGS), a data-centric method that harmonizes domain performance, general capability retention, and training efficiency. OGS shifts the geometric insights of gradient projection from the optimizer to the data selection stage by treating data selection as a constrained decision-making process. By leveraging a lightweight Navigator model and reinforcement learning techniques, OGS dynamically identifies training samples whose gradients are orthogonal to a general-knowledge anchor. This approach ensures naturally safe updates for target models without modifying the optimizer or incurring runtime projection costs. Experiments across medical, legal, and financial domains demonstrate that OGS achieves excellent results, significantly improving domain performance and training efficiency while maintaining or even enhancing performance on general tasks such as GSM8K.
Authors: Changmin Kang, Jihun Yun, Baekrok Shin, Yeseul Cho, Chulhee Yun
Abstract: Spectral gradient descent (SpecGD) orthogonalizes the matrix parameter updates and has inspired practical optimizers such as Muon. They often perform well in large language model (LLM) training, but their dynamics remain poorly understood. In the low-rank adaptation (LoRA) setting, where weight updates are parameterized as a product of two low-rank factors, we find a distinctive spectral phenomenon under Muon in LoRA fine-tuning of LLMs: singular values of the LoRA product show near-uniform growth across the spectrum, despite orthogonalization being performed on the two factors separately. Motivated by this observation, we analyze spectral gradient flow (SpecGF)-a continuous-time analogue of SpecGD-in a simplified LoRA-style matrix factorization setting and prove "equal-rate" dynamics: all singular values grow at equal rates up to small deviations. Consequently, smaller singular values attain their target values earlier than larger ones, sharply contrasting with the largest-first stepwise learning observed in standard gradient flow. Moreover, we prove that SpecGF in our setting converges to global minima from almost all initializations, provided the factor norms remain bounded; with $\ell_2$ regularization, we obtain global convergence. Lastly, we corroborate our theory with experiments in the same setting.
Authors: David Yavo, Richard Khoury, Christophe Pere, Sadoune Ait Kaci Azzou
Abstract: Synthetic tabular data enables sharing and analysis of sensitive records, but its practical deployment requires balancing distributional fidelity, downstream utility, and privacy protection. We study a simple, model agnostic post processing framework that can be applied on top of any synthetic data generator to improve this trade off. First, a mode patching step repairs categories that are missing or severely underrepresented in the synthetic data, while largely preserving learned dependencies. Second, a k nearest neighbor filter replaces synthetic records that lie too close to real data points, enforcing a minimum distance between real and synthetic samples. We instantiate this framework for two neural generative models for tabular data, a feed forward generator and a variational autoencoder, and evaluate it on three public datasets covering credit card transactions, cardiovascular health, and census based income. We assess marginal and joint distributional similarity, the performance of models trained on synthetic data and evaluated on real data, and several empirical privacy indicators, including nearest neighbor distances and attribute inference attacks. With moderate thresholds between 0.2 and 0.35, the post processing reduces divergence between real and synthetic categorical distributions by up to 36 percent and improves a combined measure of pairwise dependence preservation by 10 to 14 percent, while keeping downstream predictive performance within about 1 percent of the unprocessed baseline. At the same time, distance based privacy indicators improve and the success rate of attribute inference attacks remains largely unchanged. These results provide practical guidance for selecting thresholds and applying post hoc repairs to improve the quality and empirical privacy of synthetic tabular data, while complementing approaches that provide formal differential privacy guarantees.
Authors: Hao Qiu, Mengxiao Zhang, Nicol\`o Cesa-Bianchi
Abstract: We study distributed adversarial bandits, where $N$ agents cooperate to minimize the global average loss while observing only their own local losses. We show that the minimax regret for this problem is $\tilde{\Theta}(\sqrt{(\rho^{-1/2}+K/N)T})$, where $T$ is the horizon, $K$ is the number of actions, and $\rho$ is the spectral gap of the communication matrix. Our algorithm, based on a novel black-box reduction to bandits with delayed feedback, requires agents to communicate only through gossip. It achieves an upper bound that significantly improves over the previous best bound $\tilde{O}(\rho^{-1/3}(KT)^{2/3})$ of Yi and Vojnovic (2023). We complement this result with a matching lower bound, showing that the problem's difficulty decomposes into a communication cost $\rho^{-1/4}\sqrt{T}$ and a bandit cost $\sqrt{KT/N}$. We further demonstrate the versatility of our approach by deriving first-order and best-of-both-worlds bounds in the distributed adversarial setting. Finally, we extend our framework to distributed linear bandits in $R^d$, obtaining a regret bound of $\tilde{O}(\sqrt{(\rho^{-1/2}+1/N)dT})$, achieved with only $O(d)$ communication cost per agent and per round via a volumetric spanner.
Authors: S M Rakib UI Karim, Wenyi Lu, Diponkor Bala, Rownak Ara Rasul, Sean Goggins
Abstract: Electroencephalography (EEG)-based emotion recognition plays a critical role in affective computing and emerging decision-support systems, yet remains challenging due to high-dimensional, noisy, and subject-dependent signals. This study investigates whether hybrid deep learning architectures that integrate convolutional, recurrent, and attention-based components can improve emotion classification performance and robustness in EEG data. We propose an enhanced hybrid model that combines convolutional feature extraction, bidirectional temporal modeling, and self-attention mechanisms with regularization strategies to mitigate overfitting. Experiments conducted on a publicly available EEG dataset spanning three emotional states (neutral, positive, and negative) demonstrate that the proposed approach achieves state-of-the-art classification performance, significantly outperforming classical machine learning and neural baselines. Statistical tests confirm the robustness of these performance gains under cross-validation. Feature-level analyses further reveal that covariance-based EEG features contribute most strongly to emotion discrimination, highlighting the importance of inter-channel relationships in affective modeling. These findings suggest that carefully designed hybrid architectures can effectively balance predictive accuracy, robustness, and interpretability in EEG-based emotion recognition, with implications for applied affective computing and human-centered intelligent systems.
Authors: Rohit Dilip, Ayush Varshney, David Van Valen
Abstract: Tokenization is a promising path to multi-modal models capable of jointly understanding protein sequences, structure, and function. Existing protein structure tokenizers create tokens by pooling information from local neighborhoods, an approach that limits their performance on generative and representation tasks. In this work, we present a method for global tokenization of protein structures in which successive tokens contribute increasing levels of detail to a global representation. This change resolves several issues with generative models based on local protein tokenization: it mitigates error accumulation, provides embeddings without sequence-reduction operations, and allows task-specific adaptation of a tokenized sequence's information content. We validate our method on reconstruction, generative, and representation tasks and demonstrate that it matches or outperforms existing models based on local protein structure tokenizers. We show how adaptive tokens enable inference criteria based on information content, which boosts designability. We validate representations generated from our tokenizer on CATH classification tasks and demonstrate that non-linear probing on our tokenized sequences outperforms equivalent probing on representations from other tokenizers. Finally, we demonstrate how our method supports zero-shot protein shrinking and affinity maturation.
Authors: S M Rakib Ul Karim, Wenyi Lu, Sean Goggins
Abstract: Open source software (OSS) projects rely on complex networks of contributors whose interactions drive innovation and sustainability. This study presents a comprehensive analysis of OSS contributor networks using advanced graph neural networks and temporal network analysis on data spanning 25 years from the Cloud Native Computing Foundation ecosystem, encompassing sandbox, incubating, and graduated projects. Our analysis of thousands of contributors across hundreds of repositories reveals that OSS networks exhibit strong power-law distributions in influence, with the top 1\% of contributors controlling a substantial portion of network influence. Using GPU-accelerated PageRank, betweenness centrality, and custom LSTM models, we identify five distinct contributor roles: Core, Bridge, Connector, Regular, and Peripheral, each with unique network positions and structural importance. Statistical analysis reveals significant correlations between specific action types (commits, pull requests, issues) and contributor influence, with multiple regression models explaining substantial variance in influence metrics. Temporal analysis shows that network density, clustering coefficients, and modularity exhibit statistically significant temporal trends, with distinct regime changes coinciding with major project milestones. Structural integrity simulations show that Bridge contributors, despite representing a small fraction of the network, have a disproportionate impact on network cohesion when removed. Our findings provide empirical evidence for strategic contributor retention policies and offer actionable insights into community health metrics.
Authors: Jasper A. Vrugt, Jonathan M. Frame, Ethan Bollman
Abstract: Conceptual hydrologic models remain the cornerstone of rainfall-runoff modeling, yet their calibration is often slow and numerically fragile. Most gradient-based parameter estimation methods rely on finite-difference approximations or automatic differentiation frameworks (e.g., JAX, PyTorch and TensorFlow), which are computationally demanding and introduce truncation errors, solver instabilities, and substantial overhead. These limitations are particularly acute for the ODE systems of conceptual watershed models. Here we introduce a fully analytic and computationally efficient framework for differentiable hydrologic modeling based on exact parameter sensitivities. By augmenting the governing ODE system with sensitivity equations, we jointly evolve the model states and the Jacobian matrix with respect to all parameters. This Jacobian then provides fully analytic gradient vectors for any differentiable loss function. These include classical objective functions such as the sum of absolute and squared residuals, widely used hydrologic performance metrics such as the Nash-Sutcliffe and Kling-Gupta efficiencies, robust loss functions that down-weight extreme events, and hydrograph-based functionals such as flow-duration and recession curves. The analytic sensitivities eliminate the step-size dependence and noise inherent to numerical differentiation, while avoiding the instability of adjoint methods and the overhead of modern machine-learning autodiff toolchains. The resulting gradients are deterministic, physically interpretable, and straightforward to embed in gradient-based optimizers. Overall, this work enables rapid, stable, and transparent gradient-based calibration of conceptual hydrologic models, unlocking the full potential of differentiable modeling without reliance on external, opaque, or CPU-intensive automatic-differentiation libraries.
Authors: Zhuo Huang, Qizhou Wang, Ziming Hong, Shanshan Ye, Bo Han, Tongliang Liu
Abstract: For ethical and safe AI, machine unlearning rises as a critical topic aiming to protect sensitive, private, and copyrighted knowledge from misuse. To achieve this goal, it is common to conduct gradient ascent (GA) to reverse the training on undesired data. However, such a reversal is prone to catastrophic collapse, which leads to serious performance degradation in general tasks. As a solution, we propose model extrapolation as an alternative to GA, which reaches the counterpart direction in the hypothesis space from one model given another reference model. Therefore, we leverage the original model as the reference, further train it to memorize undesired data while keeping prediction consistency on the rest retained data, to obtain a memorization model. Counterfactual as it might sound, a forget model can be obtained via extrapolation from the memorization model to the reference model. Hence, we avoid directly acquiring the forget model using GA, but proceed with gradient descent for the memorization model, which successfully stabilizes the machine unlearning process. Our model extrapolation is simple and efficient to implement, and it can also effectively converge throughout training to achieve improved unlearning performance.
Authors: Yingming Pu, Tao Lin, Hongyu Chen
Abstract: Large Language Model (LLM)-based scientific agents have accelerated scientific discovery, yet they often suffer from significant inefficiencies due to adherence to fixed initial priors. Existing approaches predominantly operate within a static hypothesis space, which restricts the discovery of novel phenomena, resulting in computational waste when baseline theories fail. To address this, we propose shifting the focus from searching hypotheses to evolving the underlying scientific principles. We present PiEvo, a principle-evolvable framework that treats scientific discovery as Bayesian optimization over an expanding principle space. By integrating Information-Directed Hypothesis Selection via Gaussian Process and an anomaly-driven augmentation mechanism, PiEvo enables agents to autonomously refine their theoretical worldview. Evaluation across four benchmarks demonstrates that PiEvo (1) achieves an average solution quality of up to 90.81%~93.15%, representing a 29.7%~31.1% improvement over the state-of-the-art, (2) attains an 83.3% speedup in convergence step via significantly reduced sample complexity by optimizing the compact principle space, and (3) maintains robust performance across diverse scientific domains and LLM backbones.
Authors: Zhuo Huang, Runnan Chen, Bo Han, Gang Niu, Masashi Sugiyama, Tongliang Liu
Abstract: Multi-modal learning combines various modalities to provide a comprehensive understanding of real-world problems. A common strategy is to directly bind different modalities together in a specific joint embedding space. However, the capability of existing methods is restricted within the modalities presented in the given dataset, thus they are biased when generalizing to unpresented modalities in downstream tasks. As a result, due to such inflexibility, the viability of previous methods is seriously hindered by the cost of acquiring multi-modal datasets. In this paper, we introduce BrokenBind, which focuses on binding modalities that are presented from different datasets. To achieve this, BrokenBind simultaneously leverages multiple datasets containing the modalities of interest and one shared modality. Though the two datasets do not correspond to each other due to distribution mismatch, we can capture their relationship to generate pseudo embeddings to fill in the missing modalities of interest, enabling flexible and generalized multi-modal learning. Under our framework, any two modalities can be bound together, free from the dataset limitation, to achieve universal modality exploration. Further, to reveal the capability of our method, we study intensified scenarios where more than two datasets are needed for modality binding and show the effectiveness of BrokenBind in low-data regimes. Through extensive evaluation, we carefully justify the superiority of BrokenBind compared to well-known multi-modal baseline methods.
Authors: Wenwen Qiang, Ziyin Gu, Jiahuan Zhou, Jie Hu, Jingyao Wang, Changwen Zheng, Hui Xiong
Abstract: Training stability remains a critical bottleneck for Group Relative Policy Optimization (GRPO), often manifesting as a trade-off between reasoning plasticity and general capability retention. We identify a root cause as the geometric conflict between plasticity and stability gradients, which leads to destructive interference. Crucially, we argue that deterministic projection methods are suboptimal for GRPO as they overlook the intrinsic stochasticity of group-based gradient estimates. To address this, we propose Probabilistic Conflict Resolution (PCR), a Bayesian framework that models gradients as random variables. PCR dynamically arbitrates conflicts via an uncertainty-aware ``soft projection'' mechanism, optimizing the signal-to-noise ratio. Extensive experiments demonstrate that PCR significantly smooths the training trajectory and achieves superior performance in various reasoning tasks.
Authors: Brandon Gower-Winter, Misja Groen, Georg Krempl
Abstract: Non-stationarity of an underlying data generating process that leads to distributional changes over time is a key characteristic of Data Streams. This phenomenon, commonly referred to as Concept Drift, has been intensively studied, and Concept Drift Detectors have been established as a class of methods for detecting such changes (drifts). For the most part, Drift Detectors compare regions (windows) of the data stream and detect drift if those windows are sufficiently dissimilar. In this work, we introduce the Window Dilemma, an observation that perceived drift is a product of windowing and not necessarily the underlying data generating process. Additionally, we highlight that drift detection is ill-posed, primarily because verification of drift events are implausible in practice. We demonstrate these contributions first by an illustrative example, followed by empirical comparisons of drift detectors against a variety of alternative adaptation strategies. Our main finding is that traditional batch learning techniques often perform better than their drift-aware counterparts further bringing into question the purpose of detectors in Stream Classification.
Authors: Tingkai Jia, Haiguang Wang, Cheng Chen
Abstract: Online bilevel optimization (OBO) has emerged as a powerful framework for many machine learning problems. Prior works have developed several algorithms that minimize the standard bilevel local regret or the window-averaged bilevel local regret of the OBO problem, but the optimality of existing regret bounds remains unclear. In this work, we establish optimal regret bounds for both settings. For standard bilevel local regret, we propose an algorithm that achieves the optimal regret $\Omega(1+V_T)$ with at most $O(T\log T)$ total inner-level gradient evaluations. We further develop a fully single-loop algorithm whose regret bound includes an additional gradient-variation terms. For the window-averaged bilevel local regret, we design an algorithm that captures sublinear environmental variation through a window-based analysis and achieves the optimal regret $\Omega(T/W^2)$. Experiments validate our theoretical findings and demonstrate the practical effectiveness of the proposed methods.
Authors: Jingyao Wang, Peizheng Guo, Wenwen Qiang, Jiahuan Zhou, Huijie Guo, Changwen Zheng, Hui Xiong
Abstract: Large language models (LLMs) excel at complex tasks with advances in reasoning capabilities. However, existing reward mechanisms remain tightly coupled to final correctness and pay little attention to the underlying reasoning process: trajectories with sound reasoning but wrong answers receive low credit, while lucky guesses with flawed logic may be highly rewarded, affecting reasoning generalization. From a causal perspective, we interpret multi-candidate reasoning for a fixed question as a family of counterfactual experiments with theoretical supports. Building on this, we propose Group Causal Counterfactual Policy Optimization to explicitly train LLMs to learn generalizable reasoning patterns. It proposes an episodic causal counterfactual reward that jointly captures (i) robustness, encouraging the answer distribution induced by a reasoning step to remain stable under counterfactual perturbations; and (ii) effectiveness, enforcing sufficient variability so that the learned reasoning strategy can transfer across questions. We then construct token-level advantages from this reward and optimize the policy, encouraging LLMs to favor reasoning patterns that are process-valid and counterfactually robust. Extensive experiments on diverse benchmarks demonstrate its advantages.
Authors: Zeen Song, Zihao Ma, Wenwen Qiang, Changwen Zheng, Gang Hua
Abstract: Inference-time reasoning scaling has significantly advanced the capabilities of Large Language Models (LLMs) in complex problem-solving. A prevalent approach involves external search guided by Process Reward Models (PRMs). However, a fundamental limitation of this framework is the epistemic uncertainty of PRMs when evaluating reasoning paths that deviate from their training distribution. In this work, we conduct a systematic analysis of this challenge. We first provide empirical evidence that PRMs exhibit high uncertainty and unreliable scoring on out-of-distribution (OOD) samples. We then establish a theoretical framework proving that while standard search incurs linear regret accumulation, an uncertainty-aware strategy can achieve sublinear regret. Motivated by these findings, we propose Uncertainty-Aware Tree Search (UATS), a unified method that estimates uncertainty via Monte Carlo Dropout and dynamically allocates compute budget using a reinforcement learning-based controller. Extensive experiments demonstrate that our approach effectively mitigates the impact of OOD errors.
Authors: Emanuel Sommer, Kangning Diao, Jakob Robnik, Uros Seljak, David R\"ugamer
Abstract: Scaling inference methods such as Markov chain Monte Carlo to high-dimensional models remains a central challenge in Bayesian deep learning. A promising recent proposal, microcanonical Langevin Monte Carlo, has shown state-of-the-art performance across a wide range of problems. However, its reliance on full-dataset gradients makes it prohibitively expensive for large-scale problems. This paper addresses a fundamental question: Can microcanonical dynamics effectively leverage mini-batch gradient noise? We provide the first systematic study of this problem, establishing a novel continuous-time theoretical analysis of stochastic-gradient microcanonical dynamics. We reveal two critical failure modes: a theoretically derived bias due to anisotropic gradient noise and numerical instabilities in complex high-dimensional posteriors. To tackle these issues, we propose a principled gradient noise preconditioning scheme shown to significantly reduce this bias and develop a novel, energy-variance-based adaptive tuner that automates step size selection and dynamically informs numerical guardrails. The resulting algorithm is a robust and scalable microcanonical Monte Carlo sampler that achieves state-of-the-art performance on challenging high-dimensional inference tasks like Bayesian neural networks. Combined with recent ensemble techniques, our work unlocks a new class of stochastic microcanonical Langevin ensemble (SMILE) samplers for large-scale Bayesian inference.
Authors: Yuntong Hu, Matthew Trager, Yuting Zhang, Yi Zhang, Shuo Yang, Wei Xia, Stefano Soatto
Abstract: Large language model (LLM)-based multi-agent systems (MAS) show strong promise for complex reasoning, planning, and tool-augmented tasks, but designing effective MAS architectures remains labor-intensive, brittle, and hard to generalize. Existing automatic MAS generation methods either rely on code generation, which often leads to executability and robustness failures, or impose rigid architectural templates that limit expressiveness and adaptability. We propose Evolutionary Generation of Multi-Agent Systems (EvoMAS), which formulates MAS generation as structured configuration generation. EvoMAS performs evolutionary generation in configuration space. Specifically, EvoMAS selects initial configurations from a pool, applies feedback-conditioned mutation and crossover guided by execution traces, and iteratively refines both the candidate pool and an experience memory. We evaluate EvoMAS on diverse benchmarks, including BBEH, SWE-Bench, and WorkBench, covering reasoning, software engineering, and tool-use tasks. EvoMAS consistently improves task performance over both human-designed MAS and prior automatic MAS generation methods, while producing generated systems with higher executability and runtime robustness. EvoMAS outperforms the agent evolution method EvoAgent by +10.5 points on BBEH reasoning and +7.1 points on WorkBench. With Claude-4.5-Sonnet, EvoMAS also reaches 79.1% on SWE-Bench-Verified, matching the top of the leaderboard.
Authors: Janne Harjuhahto, Jaakko Harjuhahto, Mikko Lahti, Jussi Hanhirova, Bj\"orn Sonerud
Abstract: We present a novel topography scanning system developed to XLPE cable core monitoring. Modern measurement technology is utilized together with embedded high-performance computing to build a complete and detailed 3D surface map of the insulated core. Cross sectional and lengthwise geometry errors are studied, and melt homogeneity is identified as one major factor for these errors. A surface defect detection system has been developed utilizing deep learning methods. Our results show that convolutional neural networks are well suited for real time analysis of surface measurement data enabling reliable detection of surface defects.
Authors: Mounir Lbath (SODA), Alexandre Paresy (SODA), Abdelkayoum Kaddouri (SODA), Alan Andr\'e (SODA), Alexandre Ittah (SODA), Jill-J\^enn Vie (SODA)
Abstract: Deep knowledge tracing models have achieved significant breakthroughs in modeling student learning trajectories. However, these architectures require substantial training time and are prone to overfitting on datasets with short sequences. In this paper, we explore a new paradigm for knowledge tracing by leveraging tabular foundation models (TFMs). Unlike traditional methods that require offline training on a fixed training set, our approach performs real-time ''live'' knowledge tracing in an online way. The core of our method lies in a two-way attention mechanism: while attention knowledge tracing models only attend across earlier time steps, TFMs simultaneously attend across both time steps and interactions of other students in the training set. They align testing sequences with relevant training sequences at inference time, therefore skipping the training step entirely. We demonstrate, using several datasets of increasing size, that our method achieves competitive predictive performance with up to 273x speedups, in a setting where more student interactions are observed over time.
Authors: Shuai Ning, Zhenpeng Wang, Lin Wang, Bing Chen, Shuangrong Liu, Xu Wu, Jin Zhou, Bo Yang
Abstract: Generalizing from limited data is particularly critical for models in domains such as material science, where task-relevant features in experimental datasets are often heavily confounded by measurement noise and experimental artifacts. Standard regularization techniques fail to precisely separate meaningful features from noise, while existing adversarial adaptation methods are limited by their reliance on explicit separation labels. To address this challenge, we propose the Adversarial Information Separation Framework (AdverISF), which isolates task-relevant features from noise without requiring explicit supervision. AdverISF introduces a self-supervised adversarial mechanism to enforce statistical independence between task-relevant features and noise representations. It further employs a multi-layer separation architecture that progressively recycles noise information across feature hierarchies to recover features inadvertently discarded as noise, thereby enabling finer-grained feature extraction. Extensive experiments demonstrate that AdverISF outperforms state-of-the-art methods in data-scarce scenarios. In addition, evaluations on real-world material design tasks show that it achieves superior generalization performance.
Authors: Jan Benad, Pradeep Kr. Banerjee, Frank R\"oder, Nihat Ay, Martin V. Butz, Manfred Eppe
Abstract: Zero-shot generalization in contextual reinforcement learning remains a core challenge, particularly when the context is latent and must be inferred from data. A canonical failure mode is actuator inversion, where identical actions produce opposite physical effects under a latent binary context. We propose DMA*-SH, a framework where a single hypernetwork, trained solely via dynamics prediction, generates a small set of adapter weights shared across the dynamics model, policy, and action-value function. This shared modulation imparts an inductive bias matched to actuator inversion, while input/output normalization and random input masking stabilize context inference, promoting directionally concentrated representations. We provide theoretical support via an expressivity separation result for hypernetwork modulation, and a variance decomposition with policy-gradient variance bounds that formalize how within-mode compression improves learning under actuator inversion. For evaluation, we introduce the Actuator Inversion Benchmark (AIB), a suite of environments designed to isolate discontinuous context-to-dynamics interactions. On AIB's held-out actuator-inversion tasks, DMA*-SH achieves zero-shot generalization, outperforming domain randomization by 111.8% and surpassing a standard context-aware baseline by 16.1%.
Authors: Haiyun Qiu, Xingyu Wu, Liang Feng, Kay Chen Tan
Abstract: Model merging constructs versatile models by integrating task-specific models without requiring labeled data or expensive joint retraining. Although recent methods improve adaptability to heterogeneous tasks by generating customized merged models for each instance, they face two critical limitations. First, the instance-specific merged models lack reusability, restricting the exploitation of high-quality merging configurations and efficient batch inference. Second, these methods treat each task-specific model as a monolithic whole, overlooking the diverse mergeability of homologous components such as attention and multilayer perceptron layers, and the differing merging sensitivities across components. To address these limitations, we propose MERGE (\underline{M}odular \underline{E}xpert \underline{R}ecombination for fine-\underline{G}rained m\underline{E}rging), a method that enables component-wise model merging and input-aware, on-demand module recombination at inference. MERGE formulates component-wise merging as a bi-objective optimization problem that balances cross-task performance and storage efficiency, and develops a surrogate-assisted evolutionary algorithm to efficiently identify Pareto-optimal merging configurations. These high-quality configurations underpin a reusable modular expert library, from which a lightweight routing network dynamically activates and recombines modular experts to assemble input-specific models and enable efficient inference under storage constraints. Extensive experiments across various model scales, task types, and fine-tuning strategies demonstrate that MERGE consistently outperforms strong baselines and generalizes effectively.
Authors: Yassine Abbahaddou
Abstract: Graph Neural Networks (GNNs) have established themselves as the leading models for learning on graph-structured data, generally categorized into spatial and spectral approaches. Central to these architectures is the Graph Shift Operator (GSO), a matrix representation of the graph structure used to filter node signals. However, selecting the optimal GSO, whether fixed or learnable, remains largely empirical. In this paper, we introduce a novel alignment gain metric that quantifies the geometric distortion between the input signal and label subspaces. Crucially, our theoretical analysis connects this alignment directly to generalization bounds via a spectral proxy for the Lipschitz constant. This yields a principled, computation-efficient criterion to rank and select the optimal GSO for any prediction task prior to training, eliminating the need for extensive search.
Authors: Giovanni Montanari, C\^ome Fiegel, Corentin Pla, Aadirupa Saha, Vianney Perchet
Abstract: We study the online resource allocation problem in which at each round, a budget $B$ must be allocated across $K$ arms under censored feedback. An arm yields a reward if and only if two conditions are satisfied: (i) the arm is activated according to an arm-specific Bernoulli random variable with unknown parameter, and (ii) the allocated budget exceeds a random threshold drawn from a parametric distribution with unknown parameter. Over $T$ rounds, the learner must jointly estimate the unknown parameters and allocate the budget so as to maximize cumulative reward facing the exploration--exploitation trade-off. We prove an information-theoretic regret lower bound $\Omega(T^{1/3})$, demonstrating the intrinsic difficulty of the problem. We then propose RA-UCB, an optimistic algorithm that leverages non-trivial parameter estimation and confidence bounds. When the budget $B$ is known at the beginning of each round, RA-UCB achieves a regret of order $\widetilde{\mathcal{O}}(\sqrt{T})$, and even $\mathcal{O}(\mathrm{poly}\text{-}\log T)$ under stronger assumptions. As for unknown, round dependent budget, we introduce MG-UCB, which allows within-round switching and infinitesimal allocations, and matches the regret guarantees of RA-UCB. We then validate our theoretical results through experiments on real-world datasets.
Authors: Christof Duhme, Chris Lippe, Verena Hoerr, Xiaoyi Jiang
Abstract: Chemical exchange saturation transfer (CEST) MRI is a non-invasive imaging modality for detecting metabolites. It offers higher resolution and sensitivity compared to conventional magnetic resonance spectroscopy (MRS). However, quantification of CEST data is challenging because the measured signal results from a complex interplay of many physiological variables. Here, we introduce a transformer-based neural network to fit parameters such as metabolite concentrations, exchange and relaxation rates of a physical model derived from Bloch-McConnell equations to in-vitro CEST spectra. We show that our self-supervised trained neural network clearly outperforms the solution of classical gradient-based solver.
Authors: Florian Eilers, Christof Duhme, Xiaoyi Jiang
Abstract: Complex-valued neural networks (CVNNs) are rising in popularity for all kinds of applications. To safely use CVNNs in practice, analyzing their robustness against outliers is crucial. One well known technique to understand the behavior of deep neural networks is to investigate their behavior under adversarial attacks, which can be seen as worst case minimal perturbations. We design Phase Attacks, a kind of attack specifically targeting the phase information of complex-valued inputs. Additionally, we derive complex-valued versions of commonly used adversarial attacks. We show that in some scenarios CVNNs are more robust than RVNNs and that both are very susceptible to phase changes with the Phase Attacks decreasing the model performance more, than equally strong regular attacks, which can attack both phase and magnitude.
Authors: Christof Duhme, Florian Eilers, Xiaoyi Jiang
Abstract: Adversarial attacks against deep neural networks are commonly constructed under $\ell_p$ norm constraints, most often using $p=1$, $p=2$ or $p=\infty$, and potentially regularized for specific demands such as sparsity or smoothness. These choices are typically made without a systematic investigation of how the norm parameter \( p \) influences the structural and perceptual properties of adversarial perturbations. In this work, we study how the choice of \( p \) affects sparsity and smoothness of adversarial attacks generated under \( \ell_p \) norm constraints for values of $p \in [1,2]$. To enable a quantitative analysis, we adopt two established sparsity measures from the literature and introduce three smoothness measures. In particular, we propose a general framework for deriving smoothness measures based on smoothing operations and additionally introduce a smoothness measure based on first-order Taylor approximations. Using these measures, we conduct a comprehensive empirical evaluation across multiple real-world image datasets and a diverse set of model architectures, including both convolutional and transformer-based networks. We show that the choice of $\ell_1$ or $\ell_2$ is suboptimal in most cases and the optimal $p$ value is dependent on the specific task. In our experiments, using $\ell_p$ norms with $p\in [1.3, 1.5]$ yields the best trade-off between sparse and smooth attacks. These findings highlight the importance of principled norm selection when designing and evaluating adversarial attacks.
Authors: Shaowen Wang, Tariq Alkhalifah
Abstract: Weight initialization plays a crucial role in the optimization behavior and convergence efficiency of neural networks. Most existing initialization methods, such as Xavier and Kaiming initializations, rely on random sampling and do not exploit information from the optimization process itself. We propose a simple, yet effective, initialization strategy based on self-supervised pre-training using random noise as the target. Instead of directly training the network from random weights, we first pre-train it to fit random noise, which leads to a structured and non-random parameter configuration. We show that this noise-driven pre-training significantly improves convergence speed in subsequent tasks, without requiring additional data or changes to the network architecture. The proposed method is particularly effective for implicit neural representations (INRs) and Deep Image Prior (DIP)-style networks, which are known to exhibit a strong low-frequency bias during optimization. After noise-based pre-training, the network is able to capture high-frequency components much earlier in training, leading to faster and more stable convergence. Although random noise contains no semantic information, it serves as an effective self-supervised signal (considering its white spectrum nature) for shaping the initialization of neural networks. Overall, this work demonstrates that noise-based pre-training offers a lightweight and general alternative to traditional random initialization, enabling more efficient optimization of deep neural networks.
Authors: Chiara Lanza, Roberto Pereira, Marco Miozzo, Eduard Angelats, Paolo Dini
Abstract: Centralized training is the standard paradigm in deep learning, enabling models to learn from a unified dataset in a single location. In such setup, isotropic feature distributions naturally arise as a mean to support well-structured and generalizable representations. In contrast, continual learning operates on streaming and non-stationary data, and trains models incrementally, inherently facing the well-known plasticity-stability dilemma. In such settings, learning dynamics tends to yield increasingly anisotropic feature space. This arises a fundamental question: should isotropy be enforced to achieve a better balance between stability and plasticity, and thereby mitigate catastrophic forgetting? In this paper, we investigate whether promoting feature-space isotropy can enhance representation quality in continual learning. Through experiments using contrastive continual learning techniques on CIFAR-10 and CIFAR-100 data, we find that isotropic regularization fails to improve, and can in fact degrade, model accuracy in continual settings. Our results highlight essential differences in feature geometry between centralized and continual learning, suggesting that isotropy, while beneficial in centralized setups, may not constitute an appropriate inductive bias for non-stationary learning scenarios.
Authors: Haoran Zhang, Haixuan Liu, Yong Liu, Yunzhong Qiu, Yuxuan Wang, Jianmin Wang, Mingsheng Long
Abstract: While generative modeling on time series facilitates more capable and flexible probabilistic forecasting, existing generative time series models do not address the multi-dimensional properties of time series data well. The prevalent architecture of Diffusion Transformers (DiT), which relies on simplistic conditioning controls and a single-stream Transformer backbone, tends to underutilize cross-variate dependencies in covariate-aware forecasting. Inspired by Multimodal Diffusion Transformers that integrate textual guidance into video generation, we propose Diffusion Transformers for Time Series (DiTS), a general-purpose architecture that frames endogenous and exogenous variates as distinct modalities. To better capture both inter-variate and intra-variate dependencies, we design a dual-stream Transformer block tailored for time-series data, comprising a Time Attention module for autoregressive modeling along the temporal dimension and a Variate Attention module for cross-variate modeling. Unlike the common approach for images, which flattens 2D token grids into 1D sequences, our design leverages the low-rank property inherent in multivariate dependencies, thereby reducing computational costs. Experiments show that DiTS achieves state-of-the-art performance across benchmarks, regardless of the presence of future exogenous variate observations, demonstrating unique generative forecasting strengths over traditional deterministic deep forecasting models.
Authors: Thomas Frost, Hrisheekesh Vaidya, Steve Harris
Abstract: Offline reinforcement learning (ORL) has shown potential for improving decision-making in healthcare. However, contemporary research typically aggregates patient data into fixed time intervals, simplifying their mapping to standard ORL frameworks. The impact of these temporal manipulations on model safety and efficacy remains poorly understood. In this work, using both a gridworld navigation task and the UVA/Padova clinical diabetes simulator, we demonstrate that temporal resampling significantly degrades the performance of offline reinforcement learning algorithms during live deployment. We propose three mechanisms that drive this failure: (i) the generation of counterfactual trajectories, (ii) the distortion of temporal expectations, and (iii) the compounding of generalisation errors. Crucially, we find that standard off-policy evaluation metrics can fail to detect these drops in performance. Our findings reveal a fundamental risk in current healthcare ORL pipelines and emphasise the need for methods that explicitly handle the irregular timing of clinical decision-making.
Authors: Maj-Annika Tammisto, Faiz Ali Shah, Daniel Rodriguez, Dietmar Pfahl
Abstract: Background: High-level system testing of applications that use data from e-Government services as input requires test data that is real-life-like but where the privacy of personal information is guaranteed. Applications with such strong requirement include information exchange between countries, medicine, banking, etc. This review aims to synthesize the current state-of-the-practice in this domain. Objectives: The objective of this Systematic Review is to identify existing approaches for creating and evolving synthetic test data without using real-life raw data. Methods: We followed well-known methodologies for conducting systematic literature reviews, including the ones from Kitchenham as well as guidelines for analysing the limitations of our review and its threats to validity. Results: A variety of methods and tools exist for creating privacy-preserving test data. Our search found 1,013 publications in IEEE Xplore, ACM Digital Library, and SCOPUS. We extracted data from 75 of those publications and identified 37 approaches that answer our research question partly. A common prerequisite for using these methods and tools is direct access to real-life data for data anonymization or synthetic test data generation. Nine existing synthetic test data generation approaches were identified that were closest to answering our research question. Nevertheless, further work would be needed to add the ability to evolve synthetic test data to the existing approaches. Conclusions: None of the publications really covered our requirements completely, only partially. Synthetic test data evolution is a field that has not received much attention from researchers but needs to be explored in Digital Government Solutions, especially since new legal regulations are being placed in force in many countries.
Authors: Nithya Bhasker, Fiona R. Kolbinger, Susu Hu, Gitta Kutyniok, Stefanie Speidel
Abstract: Accurate prediction of outcomes is crucial for clinical decision-making and personalized patient care. Supervised machine learning algorithms, which are commonly used for outcome prediction in the medical domain, optimize for predictive accuracy, which can result in models latching onto spurious correlations instead of robust predictors. Causal structure learning methods on the other hand have the potential to provide robust predictors for the target, but can be too conservative because of algorithmic and data assumptions, resulting in loss of diagnostic precision. Therefore, we propose a novel model-agnostic regularization strategy, Adaptive-CaRe, for generalized outcome prediction in the medical domain. Adaptive-CaRe strikes a balance between both predictive value and causal robustness by incorporating a penalty that is proportional to the difference between the estimated statistical contribution and estimated causal contribution of the input features for model predictions. Our experiments on synthetic data establish the efficacy of the proposed Adaptive-CaRe regularizer in finding robust predictors for the target while maintaining competitive predictive accuracy. With experiments on a standard causal benchmark, we provide a blueprint for navigating the trade-off between predictive accuracy and causal robustness by tweaking the regularization strength, $\lambda$. Validation using real-world dataset confirms that the results translate to practical, real-domain settings. Therefore, Adaptive-CaRe provides a simple yet effective solution to the long-standing trade-off between predictive accuracy and causal robustness in the medical domain. Future work would involve studying alternate causal structure learning frameworks and complex classification models to provide deeper insights at a larger scale.
Authors: Gaurish Trivedi, Alakh Sharma, Kartikey Singh Bhandari, Yash Sinha, Pratik Narang, Dhruv Kumar, Jagat Sesh Challa
Abstract: Standard trust-region methods constrain policy updates via Kullback-Leibler (KL) divergence. However, KL controls only an average divergence and does not directly prevent rare, large likelihood-ratio excursions that destabilize training--precisely the failure mode that motivates heuristics such as PPO's clipping. We propose overlap geometry as an alternative trust region, constraining distributional overlap via the Bhattacharyya coefficient (closely related to the Hellinger/Renyi-1/2 geometry). This objective penalizes separation in the ratio tails, yielding tighter control over likelihood-ratio excursions without relying on total variation bounds that can be loose in tail regimes. We derive Bhattacharyya-TRPO (BTRPO) and Bhattacharyya-PPO (BPPO), enforcing overlap constraints via square-root ratio updates: BPPO clips the square-root ratio q = sqrt(r), and BTRPO applies a quadratic Hellinger/Bhattacharyya penalty. Empirically, overlap-based updates improve robustness and aggregate performance as measured by RLiable under matched training budgets, suggesting overlap constraints as a practical, principled alternative to KL for stable policy optimization.
Authors: Kichang Lee, Jaeho Jin, JaeYeon Park, Songkuk Kim, JeongGil Ko
Abstract: Predictive confidence serves as a foundational control signal in mission-critical systems, directly governing risk-aware logic such as escalation, abstention, and conservative fallback. While prior federated learning attacks predominantly target accuracy or implant backdoors, we identify confidence calibration as a distinct attack objective. We present the Temperature Scaling Attack (TSA), a training-time attack that degrades calibration while preserving accuracy. By injecting temperature scaling with learning rate-temperature coupling during local training, malicious updates maintain benign-like optimization behavior, evading accuracy-based monitoring and similarity-based detection. We provide a convergence analysis under non-IID settings, showing that this coupling preserves standard convergence bounds while systematically distorting confidence. Across three benchmarks, TSA substantially shifts calibration (e.g., 145% error increase on CIFAR-100) with <2 accuracy change, and remains effective under robust aggregation and post-hoc calibration defenses. Case studies further show that confidence manipulation can cause up to 7.2x increases in missed critical cases (healthcare) or false alarms (autonomous driving), even when accuracy is unchanged. Overall, our results establish calibration integrity as a critical attack surface in federated learning.
Authors: Hoang Pham, The-Anh Ta, Long Tran-Thanh
Abstract: Pruning at Initialisation methods discover sparse, trainable subnetworks before training, but their theoretical mechanisms remain elusive. Existing analyses are often limited to finite-width statistics, lacking a rigorous characterisation of the global sparsity patterns that emerge as networks grow large. In this work, we connect discrete pruning heuristics to graph limit theory via graphons, establishing the graphon limit of PaI masks. We introduce a Factorised Saliency Model that encompasses popular pruning criteria and prove that, under regularity conditions, the discrete masks generated by these algorithms converge to deterministic bipartite graphons. This limit framework establishes a novel topological taxonomy for sparse networks: while unstructured methods (e.g., Random, Magnitude) converge to homogeneous graphons representing uniform connectivity, data-driven methods (e.g., SNIP, GraSP) converge to heterogeneous graphons that encode implicit feature selection. Leveraging this continuous characterisation, we derive two fundamental theoretical results: (i) a Universal Approximation Theorem for sparse networks that depends only on the intrinsic dimension of active coordinate subspaces; and (ii) a Graphon-NTK generalisation bound demonstrating how the limit graphon modulates the kernel geometry to align with informative features. Our results transform the study of sparse neural networks from combinatorial graph problems into a rigorous framework of continuous operators, offering a new mechanism for analysing expressivity and generalisation in sparse neural networks.
Authors: Victor Armegioiu
Abstract: Autoregressive generative PDE solvers can be accurate one step ahead yet drift over long rollouts, especially in coarse-to-fine regimes where each step must regenerate unresolved fine scales. This is the regime of diffusion and flow-matching generators: although their internal dynamics are Markovian, rollout stability is governed by per-step \emph{conditional law} errors. Using the Mori--Zwanzig projection formalism, we show that eliminating unresolved variables yields an exact resolved evolution with a Markov term, a memory term, and an orthogonal forcing, exposing a structural limitation of memoryless closures. Motivated by this, we introduce memory-conditioned diffusion/flow-matching with a compact online state injected into denoising via latent features. Via disintegration, memory induces a structured conditional tail prior for unresolved scales and reduces the transport needed to populate missing frequencies. We prove Wasserstein stability of the resulting conditional kernel. We then derive discrete Gr\"onwall rollout bounds that separate memory approximation from conditional generation error. Experiments on compressible flows with shocks and multiscale mixing show improved accuracy and markedly more stable long-horizon rollouts, with better fine-scale spectral and statistical fidelity.
Authors: Hyochan Chong, Dongkyu Kim, Changdong Kim, Minseop Choi
Abstract: Weight-only quantization has become a standard approach for efficiently serving large language models (LLMs). However, existing methods fail to efficiently compress models to binary (1-bit) levels, as they either require large amounts of data and compute or incur additional storage. In this work, we propose NanoQuant, the first post-training quantization (PTQ) method to compress LLMs to both binary and sub-1-bit levels. NanoQuant formulates quantization as a low-rank binary factorization problem, and compresses full-precision weights to low-rank binary matrices and scales. Specifically, it utilizes an efficient alternating direction method of multipliers (ADMM) method to precisely initialize latent binary matrices and scales, and then tune the initialized parameters through a block and model reconstruction process. Consequently, NanoQuant establishes a new Pareto frontier in low-memory post-training quantization, achieving state-of-the-art accuracy even at sub-1-bit compression rates. NanoQuant makes large-scale deployment feasible on consumer hardware. For example, it compresses Llama2-70B by 25.8$\times$ in just 13 hours on a single H100, enabling a 70B model to operate on a consumer 8 GB GPU.
Authors: Josephine Elisabeth Oettinger, Zakhar Shumaylov, Johannes Bostelmann, Jan Lellmann, Carola-Bibiane Sch\"onlieb
Abstract: Incorporating group symmetries via equivariance into neural networks has emerged as a robust approach for overcoming the efficiency and data demands of modern deep learning. While most existing approaches, such as group convolutions and averaging-based methods, focus on compact, finite, or low-dimensional groups with linear actions, this work explores how equivariance can be extended to infinite-dimensional groups. We propose a strategy designed to induce diffeomorphism equivariance in pre-trained neural networks via energy-based canonicalisation. Formulating equivariance as an optimisation problem allows us to access the rich toolbox of already established differentiable image registration methods. Empirical results on segmentation and classification tasks confirm that our approach achieves approximate equivariance and generalises to unseen transformations without relying on extensive data augmentation or retraining.
Authors: Jaisidh Singh, Diganta Misra, Antonio Orvieto
Abstract: We investigate grokking in transformers through the lens of inductive bias: dispositions arising from architecture or optimization that let the network prefer one solution over another. We first show that architectural choices such as the position of Layer Normalization (LN) strongly modulates grokking speed. This modulation is explained by isolating how LN on specific pathways shapes shortcut-learning and attention entropy. Subsequently, we study how different optimization settings modulate grokking, inducing distinct interpretations of previously proposed controls such as readout scale. Particularly, we find that using readout scale as a control for lazy training can be confounded by learning rate and weight decay in our setting. Accordingly, we show that features evolve continuously throughout training, suggesting grokking in transformers can be more nuanced than a lazy-to-rich transition of the learning regime. Finally, we show how generalization predictably emerges with feature compressibility in grokking, across different modulators of inductive bias. Our code is released at https://tinyurl.com/y52u3cad.
Authors: Shentong Mo, Lanqing Li
Abstract: Generative models for de novo protein backbone design have achieved remarkable success in creating novel protein structures. However, these diffusion-based approaches remain computationally intensive and slower than desired for large-scale structural exploration. While recent efforts like Proteina have introduced flow-matching to improve sampling efficiency, the potential of tokenization for structural compression and acceleration remains largely unexplored in the protein domain. In this work, we present SaDiT, a novel framework that accelerates protein backbone generation by integrating SaProt Tokenization with a Diffusion Transformer (DiT) architecture. SaDiT leverages a discrete latent space to represent protein geometry, significantly reducing the complexity of the generation process while maintaining theoretical SE(3) equivalence. To further enhance efficiency, we introduce an IPA Token Cache mechanism that optimizes the Invariant Point Attention (IPA) layers by reusing computed token states during iterative sampling. Experimental results demonstrate that SaDiT outperforms state-of-the-art models, including RFDiffusion and Proteina, in both computational speed and structural viability. We evaluate our model across unconditional backbone generation and fold-class conditional generation tasks, where SaDiT shows superior ability to capture complex topological features with high designability.
Authors: Daniil Plyusov, Alexey Gorbatovski, Boris Shaposhnikov, Viacheslav Sinii, Alexey Malakhov, Daniil Gavrilov
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) is commonly based on group sampling to estimate advantages and stabilize policy updates. In practice, large group sizes are not feasible due to computational limits, which biases learning toward trajectories that are already likely. Smaller groups often miss rare-correct trajectories while still containing mixed rewards, concentrating probability on common solutions. We derive the probability that updates miss rare-correct modes as a function of group size, showing non-monotonic behavior, and characterize how updates redistribute mass within the correct set, revealing that unsampled-correct mass can shrink even as total correct mass grows. Motivated by this analysis, we propose a difficulty-aware advantage scaling coefficient, inspired by Focal loss, that down-weights updates on high-success prompts. The lightweight modification can be directly integrated into any group-relative RLVR algorithm such as GRPO, DAPO, and CISPO. On Qwen2.5-7B across in-domain and out-of-domain benchmarks, our method improves pass@256 from 64.1 $\rightarrow$ 70.3 (GRPO), 69.3 $\rightarrow$ 72.5 (DAPO), and 73.2 $\rightarrow$ 76.8 (CISPO), while preserving or improving pass@1, without increasing group size or computational cost.
Authors: Rishabh Jain, Keisuke Okumura, Michael Amir, Pietro Lio, Amanda Prorok
Abstract: Multi-Agent Path Finding (MAPF) is a representative multi-agent coordination problem, where multiple agents are required to navigate to their respective goals without collisions. Solving MAPF optimally is known to be NP-hard, leading to the adoption of learning-based approaches to alleviate the online computational burden. Prevailing approaches, such as Graph Neural Networks (GNNs), are typically constrained to pairwise message passing between agents. However, this limitation leads to suboptimal behaviours and critical issues, such as attention dilution, particularly in dense environments where group (i.e. beyond just two agents) coordination is most critical. Despite the importance of such higher-order interactions, existing approaches have not been able to fully explore them. To address this representational bottleneck, we introduce HMAGAT (Hypergraph Multi-Agent Attention Network), a novel architecture that leverages attentional mechanisms over directed hypergraphs to explicitly capture group dynamics. Empirically, HMAGAT establishes a new state-of-the-art among learning-based MAPF solvers: e.g., despite having just 1M parameters and being trained on 100$\times$ less data, it outperforms the current SoTA 85M parameter model. Through detailed analysis of HMAGAT's attention values, we demonstrate how hypergraph representations mitigate the attention dilution inherent in GNNs and capture complex interactions where pairwise methods fail. Our results illustrate that appropriate inductive biases are often more critical than the training data size or sheer parameter count for multi-agent problems.
Authors: Noah Schwartz, Chandra Kanth Nagesh, Sriram Sankaranarayanan, Ramneet Kaur, Tuhin Sahai, Susmit Jha
Abstract: We present a novel approach for verifying properties of Kolmogorov-Arnold Networks (KANs), a class of neural networks characterized by nonlinear, univariate activation functions typically implemented as piecewise polynomial splines or Gaussian processes. Our method creates mathematical ``abstractions'' by replacing each KAN unit with a piecewise affine (PWA) function, providing both local and global error estimates between the original network and its approximation. These abstractions enable property verification by encoding the problem as a Mixed Integer Linear Program (MILP), determining whether outputs satisfy specified properties when inputs belong to a given set. A critical challenge lies in balancing the number of pieces in the PWA approximation: too many pieces add binary variables that make verification computationally intractable, while too few pieces create excessive error margins that yield uninformative bounds. Our key contribution is a systematic framework that exploits KAN structure to find optimal abstractions. By combining dynamic programming at the unit level with a knapsack optimization across the network, we minimize the total number of pieces while guaranteeing specified error bounds. This approach determines the optimal approximation strategy for each unit while maintaining overall accuracy requirements. Empirical evaluation across multiple KAN benchmarks demonstrates that the upfront analysis costs of our method are justified by superior verification results.
Authors: Gorka Mu\~noz-Gil, Hendrik Poulsen Nautrup, Arunava Majumder, Paulin de Schoulepnikoff, Florian F\"urrutter, Marius Krumm, Hans J. Briegel
Abstract: Learning interpretable representations with variational autoencoders (VAEs) is a major goal of representation learning. The main challenge lies in obtaining disentangled representations, where each latent dimension corresponds to a distinct generative factor. This difficulty is fundamentally tied to the inability to perform nonlinear independent component analysis. Here, we introduce the framework of action-induced representations (AIRs) which models representations of physical systems given experiments (or actions) that can be performed on them. We show that, in this framework, we can provably disentangle degrees of freedom w.r.t. their action dependence. We further introduce a variational AIR architecture (VAIR) that can extract AIRs and therefore achieve provable disentanglement where standard VAEs fail. Beyond state representation, VAIR also captures the action dependence of the underlying generative factors, directly linking experiments to the degrees of freedom they influence.
Authors: Marco Bagatella, Thomas Rupf, Georg Martius, Andreas Krause
Abstract: Recent advancements in zero-shot reinforcement learning (RL) have facilitated the extraction of diverse behaviors from unlabeled, offline data sources. In particular, forward-backward algorithms (FB) can retrieve a family of policies that can approximately solve any standard RL problem (with additive rewards, linear in the occupancy measure), given sufficient capacity. While retaining zero-shot properties, we tackle the greater problem class of RL with general utilities, in which the objective is an arbitrary differentiable function of the occupancy measure. This setting is strictly more expressive, capturing tasks such as distribution matching or pure exploration, which may not be reduced to additive rewards. We show that this additional complexity can be captured by a novel, maximum entropy (soft) variant of the forward-backward algorithm, which recovers a family of stochastic policies from offline data. When coupled with zero-order search over compact policy embeddings, this algorithm can sidestep iterative optimization schemes, and optimizes general utilities directly at test-time. Across both didactic and high-dimensional experiments, we demonstrate that our method retains favorable properties of FB algorithms, while also extending their range to more general RL problems.
Authors: Fengpeng Li, Kemou Li, Qizhou Wang, Bo Han, Jiantao Zhou
Abstract: Concept erasure helps stop diffusion models (DMs) from generating harmful content; but current methods face robustness retention trade off. Robustness means the model fine-tuned by concept erasure methods resists reactivation of erased concepts, even under semantically related prompts. Retention means unrelated concepts are preserved so the model's overall utility stays intact. Both are critical for concept erasure in practice, yet addressing them simultaneously is challenging, as existing works typically improve one factor while sacrificing the other. Prior work typically strengthens one while degrading the other, e.g., mapping a single erased prompt to a fixed safe target leaves class level remnants exploitable by prompt attacks, whereas retention-oriented schemes underperform against adaptive adversaries. This paper introduces Adversarial Erasure with Gradient Informed Synergy (AEGIS), a retention-data-free framework that advances both robustness and retention.
Authors: Edward W. Wolfe, Justin O. Barber
Abstract: Data augmentation can mitigate limited training data in machine-learning automated scoring engines for constructed response items. This study seeks to determine how well three approaches to large language model prompting produce essays that preserve the writing quality of the original essays and produce realistic text for augmenting ASE training datasets. We created simulated versions of student essays, and human raters assigned scores to them and rated the realism of the generated text. The results of the study indicate that the predict next prompting strategy produces the highest level of agreement between human raters regarding simulated essay scores, predict next and sentence strategies best preserve the rated quality of the original essay in the simulated essays, and predict next and 25 examples strategies produce the most realistic text as judged by human raters.
Authors: Daniel Haimovich, Fridolin Linder, Lorenzo Perini, Niek Tax, Milan Vojnovic
Abstract: Multicalibration gradient boosting has recently emerged as a scalable method that empirically produces approximately multicalibrated predictors and has been deployed at web scale. Despite this empirical success, its convergence properties are not well understood. In this paper, we bridge the gap by providing convergence guarantees for multicalibration gradient boosting in regression with squared-error loss. We show that the magnitude of successive prediction updates decays at $O(1/\sqrt{T})$, which implies the same convergence rate bound for the multicalibration error over rounds. Under additional smoothness assumptions on the weak learners, this rate improves to linear convergence. We further analyze adaptive variants, showing local quadratic convergence of the training loss, and we study rescaling schemes that preserve convergence. Experiments on real-world datasets support our theory and clarify the regimes in which the method achieves fast convergence and strong multicalibration.
Authors: Sajad Ashkezari
Abstract: We study the problem of learning robust classifiers where the classifier will receive a perturbed input. Unlike robust PAC learning studied in prior work, here the clean data and its label are also adversarially chosen. We formulate this setting as an online learning problem and consider both the realizable and agnostic learnability of hypothesis classes. We define a new dimension of classes and show it controls the mistake bounds in the realizable setting and the regret bounds in the agnostic setting. In contrast to the dimension that characterizes learnability in the PAC setting, our dimension is rather simple and resembles the Littlestone dimension. We generalize our dimension to multiclass hypothesis classes and prove similar results in the realizable case. Finally, we study the case where the learner does not know the set of allowed perturbations for each point and only has some prior on them.
Authors: Seongjin Choi, Gahee Kim, Se-Young Yun
Abstract: While lifting map has significantly enhanced the expressivity of graph neural networks, extending this paradigm to hypergraphs remains fragmented. To address this, we introduce the categorical Weisfeiler-Lehman framework, which formalizes lifting as a functorial mapping from an arbitrary data category to the unifying category of graded posets. When applied to hypergraphs, this perspective allows us to systematically derive Hypergraph Isomorphism Networks, a family of neural architectures where the message passing topology is strictly determined by the choice of functor. We introduce two distinct functors from the category of hypergraphs: an incidence functor and a symmetric simplicial complex functor. While the incidence architecture structurally mirrors standard bipartite schemes, our functorial derivation enforces a richer information flow over the resulting poset, capturing complex intersection geometries often missed by existing methods. We theoretically characterize the expressivity of these models, proving that both the incidence-based and symmetric simplicial approaches subsume the expressive power of the standard Hypergraph Weisfeiler-Lehman test. Extensive experiments on real-world benchmarks validate these theoretical findings.
Authors: Idan Pipano, Shoham Sabach, Kavosh Asadi, Mohammad Ghavamzadeh
Abstract: DPO and related algorithms align language models by directly optimizing the RLHF objective: find a policy that maximizes the Bradley-Terry reward while staying close to a reference policy through a KL divergence penalty. Previous work showed that this approach could be further generalized: the original problem remains tractable even if the KL divergence is replaced by a family of $f$-divergence with a convex generating function $f$. Our first contribution is to show that convexity of $f$ is not essential. Instead, we identify a more general condition, referred to as DPO-inducing, that precisely characterizes when the RLHF problem remains tractable. Our next contribution is to establish a second condition on $f$ that is necessary to prevent probability displacement, a known empirical phenomenon in which the probabilities of the winner and the loser responses approach zero. We refer to any $f$ that satisfies this condition as displacement-resistant. We finally focus on a specific DPO-inducing and displacement-resistant $f$, leading to our novel SquaredPO loss. Compared to DPO, this new loss offers stronger theoretical guarantees while performing competitively in practice.
Authors: Jake McAllister Dorman, Edward Gillman, Dominic C. Rose, Jamie F. Mair, Juan P. Garrahan
Abstract: Being probabilistic models, during inference large language models (LLMs) display rare events: behaviour that is far from typical but highly significant. By definition all rare events are hard to see, but the enormous scale of LLM usage means that events completely unobserved during development are likely to become prominent in deployment. Here we present an end-to-end framework for the systematic analysis of rare events in LLMs. We provide a practical implementation spanning theory, efficient generation strategies, probability estimation and error analysis, which we illustrate with concrete examples. We outline extensions and applications to other models and contexts, highlighting the generality of the concepts and techniques presented here.
Authors: Ran Cheng, Lailai Zhu
Abstract: Data assimilation (DA) is a fundamental component of modern weather prediction, yet it remains a major computational bottleneck in machine learning (ML)-based forecasting pipelines due to reliance on traditional variational methods. Recent generative ML-based DA methods offer a promising alternative but typically require many sampling steps and suffer from error accumulation under long-horizon auto-regressive rollouts with cycling assimilation. We propose FlowDA, a low-latency weather-scale generative DA framework based on flow matching. FlowDA conditions on observations through a SetConv-based embedding and fine-tunes the Aurora foundation model to deliver accurate, efficient, and robust analyses. Experiments across observation rates decreasing from $3.9\%$ to $0.1\%$ demonstrate superior performance of FlowDA over strong baselines with similar tunable-parameter size. FlowDA further shows robustness to observational noise and stable performance in long-horizon auto-regressive cycling DA. Overall, FlowDA points to an efficient and scalable direction for data-driven DA.
Authors: Sohan Venkatesh, Ashish Mahendran Kurapath
Abstract: Activation steering methods, such as persona vectors, are widely used to control large language model behavior and increasingly interpreted as revealing meaningful internal representations. This interpretation implicitly assumes steering directions are identifiable and uniquely recoverable from input-output behavior. We formalize steering as an intervention on internal representations and prove that, under realistic modeling and data conditions, steering vectors are fundamentally non-identifiable due to large equivalence classes of behaviorally indistinguishable interventions. Empirically, we validate this across multiple models and semantic traits, showing orthogonal perturbations achieve near-equivalent efficacy with negligible effect sizes. However, identifiability is recoverable under structural assumptions including statistical independence, sparsity constraints, multi-environment validation or cross-layer consistency. These findings reveal fundamental interpretability limits and clarify structural assumptions required for reliable safety-critical control.
Authors: Hangting Ye, He Zhao. Wei Fan, Xiaozhuang Song, Dandan Guo, Yi Chang, Hongyuan Zha
Abstract: Tabular anomaly detection (TAD) remains challenging due to the heterogeneity of tabular data: features lack natural relationships, vary widely in distribution and scale, and exhibit diverse types. Consequently, each TAD method makes implicit assumptions about anomaly patterns that work well on some datasets but fail on others, and no method consistently outperforms across diverse scenarios. We present CTAD (Calibrating Tabular Anomaly Detection), a model-agnostic post-processing framework that enhances any existing TAD detector through sample-specific calibration. Our approach characterizes normal data via two complementary distributions, i.e., an empirical distribution from random sampling and a structural distribution from K-means centroids, and measures how adding a test sample disrupts their compatibility using Optimal Transport (OT) distance. Normal samples maintain low disruption while anomalies cause high disruption, providing a calibration signal to amplify detection. We prove that OT distance has a lower bound proportional to the test sample's distance from centroids, and establish that anomalies systematically receive higher calibration scores than normals in expectation, explaining why the method generalizes across datasets. Extensive experiments on 34 diverse tabular datasets with 7 representative detectors spanning all major TAD categories (density estimation, classification, reconstruction, and isolation-based methods) demonstrate that CTAD consistently improves performance with statistical significance. Remarkably, CTAD enhances even state-of-the-art deep learning methods and shows robust performance across diverse hyperparameter settings, requiring no additional tuning for practical deployment.
Authors: Yuming Li, Qingyu Li, Chengyu Bai, Xiangyang Luo, Zeyue Xue, Wenyu Qin, Meng Wang, Yikai Wang, Shanghang Zhang
Abstract: Reinforcement learning from human feedback (RLHF) shows promise for aligning diffusion and flow models, yet policy optimization methods such as GRPO suffer from inefficient and static sampling strategies. These methods treat all prompts and denoising steps uniformly, ignoring substantial variations in sample learning value as well as the dynamic nature of critical exploration moments. To address this issue, we conduct a detailed analysis of the internal attention dynamics during GRPO training and uncover a key insight: attention entropy can serve as a powerful dual-signal proxy. First, across different samples, the relative change in attention entropy ({\Delta}Entropy), which reflects the divergence between the current policy and the base policy, acts as a robust indicator of sample learning value. Second, during the denoising process, the peaks of absolute attention entropy (Entropy(t)), which quantify attention dispersion, effectively identify critical timesteps where high-value exploration occurs. Building on this observation, we propose Adaptive Entropy-Guided Policy Optimization (AEGPO), a novel dual-signal, dual-level adaptive optimization strategy. At the global level, AEGPO uses {\Delta}Entropy to dynamically allocate rollout budgets, prioritizing prompts with higher learning value. At the local level, it exploits the peaks of Entropy(t) to guide exploration selectively at critical high-dispersion timesteps rather than uniformly across all denoising steps. By focusing computation on the most informative samples and the most critical moments, AEGPO enables more efficient and effective policy optimization. Experiments on text-to-image generation tasks demonstrate that AEGPO significantly accelerates convergence and achieves superior alignment performance compared to standard GRPO variants.
Authors: Naoya Takeishi
Abstract: Hybrid modeling, the combination of machine learning models and scientific mathematical models, enables flexible and robust data-driven prediction with partial interpretability. However, effectively the scientific models may be ignored in prediction due to the flexibility of the machine learning model, making the idea of hybrid modeling pointless. Typically some regularization is applied to hybrid model learning to avoid such a failure case, but the formulation of the regularizer strongly depends on model architectures and domain knowledge. In this paper, we propose to focus on the flatness of loss minima in learning hybrid models, aiming to make the model as simple as possible. We employ the idea of sharpness-aware minimization and adapt it to the hybrid modeling setting. Numerical experiments show that the SAM-based method works well across different choices of models and datasets.
Authors: Alberto Foresti, Mustapha Bounoua, Giulio Franzese, Luca Ambrogioni, Pietro Michiardi
Abstract: Discrete diffusion models have emerged as a powerful paradigm for generative modeling on sequence data; however, the information-theoretic principles governing their reverse processes remain significantly less understood than those of their continuous counterparts. In this work, we bridge this gap by analyzing the reverse process dynamics through the lens of thermodynamic entropy production. We propose the entropy production rate as a rigorous proxy for quantifying information generation, deriving as a byproduct a bound on the Wasserstein distance between intermediate states and the data distribution. Leveraging these insights, we introduce two novel sampling schedules that are uniformly spaced with respect to their corresponding physics-inspired metrics: the Entropic Discrete Schedule (EDS), which is defined by maintaining a constant rate of information gain, and the Wasserstein Discrete Schedule (WDS), which is defined by taking equal steps in terms of the Wasserstein distance. We empirically demonstrate that our proposed schedules significantly outperform state-of-the-art strategies across diverse application domains, including synthetic data, music notation, vision and language modeling, consistently achieving superior performance at a lower computational budget.
Authors: Soumi Mahato, Lineesh M. C
Abstract: The loss function is crucial to machine learning, especially in supervised learning frameworks. It is a fundamental component that controls the behavior and general efficacy of learning algorithms. However, despite their widespread use, traditional loss functions have significant drawbacks when dealing with high-dimensional and outlier-sensitive datasets, which frequently results in reduced performance and slower convergence during training. In this work, we develop a robust, bounded, and smooth (RoBoS-NN) loss function to resolve the aforementioned hindrances. The generalization ability of the loss function has also been theoretically analyzed to rigorously justify its robustness. Moreover, we implement RoboS-NN loss in the framework of a neural network (NN) to forecast time series and present a new robust algorithm named $\mathcal{L}_{\text{RoBoS}}$-NN. To assess the potential of $\mathcal{L}_{\text{RoBoS}}$-NN, we conduct experiments on multiple real-world datasets. In addition, we infuse outliers into data sets to evaluate the performance of $\mathcal{L}_{\text{RoBoS}}$-NN in more challenging scenarios. Numerical results show that $\mathcal{L}_{\text{RoBoS}}$-NN outperforms the other benchmark models in terms of accuracy measures.
Authors: Xinyu Zhao, Qingyun Sun, Jiayi Luo, Xingcheng Fu, Jianxin Li
Abstract: Graph Anomaly Detection (GAD) aims to identify irregular patterns in graph data, and recent works have explored zero-shot generalist GAD to enable generalization to unseen graph datasets. However, existing zero-shot GAD methods largely ignore intrinsic geometric differences across diverse anomaly patterns, substantially limiting their cross-domain generalization. In this work, we reveal that anomaly detectability is highly dependent on the underlying geometric properties and that embedding graphs from different domains into a single static curvature space can distort the structural signatures of anomalies. To address the challenge that a single curvature space cannot capture geometry-dependent graph anomaly patterns, we propose GAD-MoRE, a novel framework for zero-shot Generalizable Graph Anomaly Detection with a Mixture of Riemannian Experts architecture. Specifically, to ensure that each anomaly pattern is modeled in the Riemannian space where it is most detectable, GAD-MoRE employs a set of specialized Riemannian expert networks, each operating in a distinct curvature space. To align raw node features with curvature-specific anomaly characteristics, we introduce an anomaly-aware multi-curvature feature alignment module that projects inputs into parallel Riemannian spaces, enabling the capture of diverse geometric characteristics. Finally, to facilitate better generalization beyond seen patterns, we design a memory-based dynamic router that adaptively assigns each input to the most compatible expert based on historical reconstruction performance on similar anomalies. Extensive experiments in the zero-shot setting demonstrate that GAD-MoRE significantly outperforms state-of-the-art generalist GAD baselines, and even surpasses strong competitors that are few-shot fine-tuned with labeled data from the target domain.
Authors: Jingyi Cheng, Gon\c{c}alo Homem de Almeida Correia, Oded Cats, Shadi Sharif Azadeh
Abstract: Reliable short-term demand forecasting is essential for managing shared micro-mobility services and ensuring responsive, user-centered operations. This study introduces T-STAR (Two-stage Spatial and Temporal Adaptive contextual Representation), a novel transformer-based probabilistic framework designed to forecast station-level bike-sharing demand at a 15-minute resolution. T-STAR addresses key challenges in high-resolution forecasting by disentangling consistent demand patterns from short-term fluctuations through a hierarchical two-stage structure. The first stage captures coarse-grained hourly demand patterns, while the second stage improves prediction accuracy by incorporating high-frequency, localized inputs, including recent fluctuations and real-time demand variations in connected metro services, to account for temporal shifts in short-term demand. Time series transformer models are employed in both stages to generate probabilistic predictions. Extensive experiments using Washington D.C.'s Capital Bikeshare data demonstrate that T-STAR outperforms existing methods in both deterministic and probabilistic accuracy. The model exhibits strong spatial and temporal robustness across stations and time periods. A zero-shot forecasting experiment further highlights T-STAR's ability to transfer to previously unseen service areas without retraining. These results underscore the framework's potential to deliver granular, reliable, and uncertainty-aware short-term demand forecasts, which enable seamless integration to support multimodal trip planning for travelers and enhance real-time operations in shared micro-mobility services.
Authors: Zitao Song, Cedar Site Bai, Zhe Zhang, Brian Bullins, David F. Gleich
Abstract: Adaptive methods like Adam have become the $\textit{de facto}$ standard for large-scale vector and Euclidean optimization due to their coordinate-wise adaptation with a second-order nature. More recently, matrix-based spectral optimizers like Muon (Jordan et al., 2024b) show the power of treating weight matrices as matrices rather than long vectors. Linking these is hard because many natural generalizations are not feasible to implement, and we also cannot simply move the Adam adaptation to the matrix spectrum. To address this, we reformulate the AdaGrad update and decompose it into a variance adaptation term and a scale-invariant term. This decoupling produces $\textbf{DeVA}$ ($\textbf{De}$coupled $\textbf{V}$ariance $\textbf{A}$daptation), a framework that bridges between vector-based variance adaptation and matrix spectral optimization, enabling a seamless transition from Adam to adaptive spectral descent. Extensive experiments across language modeling and image classification demonstrate that DeVA consistently outperforms state-of-the-art methods such as Muon and SOAP (Vyas et al., 2024), reducing token usage by around 6.6\%. Theoretically, we show that the variance adaptation term effectively improves the blockwise smoothness, facilitating faster convergence. Our implementation is available at https://github.com/Tsedao/Decoupled-Variance-Adaptation
URLs: https://github.com/Tsedao/Decoupled-Variance-Adaptation
Authors: Ambroise Odonnat, Laetitia Chapel, Romain Tavenard, Ievgen Redko
Abstract: The smoothness of the transformer architecture has been extensively studied in the context of generalization, training stability, and adversarial robustness. However, its role in transfer learning remains poorly understood. In this paper, we analyze the ability of vision transformer components to adapt their outputs to changes in inputs, or, in other words, their plasticity. Defined as an average rate of change, it captures the sensitivity to input perturbation; in particular, a high plasticity implies low smoothness. We demonstrate through theoretical analysis and comprehensive experiments that this perspective provides principled guidance in choosing the components to prioritize during adaptation. A key takeaway for practitioners is that the high plasticity of the attention modules and feedforward layers consistently leads to better finetuning performance. Our findings depart from the prevailing assumption that smoothness is desirable, offering a novel perspective on the functional properties of transformers. The code is available at https://github.com/ambroiseodt/vit-plasticity.
Authors: Siyu Mu, Wei Xuan Chan, Choon Hwai Yap
Abstract: Image-based patient-specific simulation of left ventricular (LV) mechanics is valuable for understanding cardiac function and supporting clinical intervention planning, but conventional finite-element analysis (FEA) is computationally intensive. Current graph-based surrogates do not have full-cycle prediction capabilities, and physics-informed neural networks often struggle to converge on complex cardiac geometries. We present CardioGraphFENet (CGFENet), a unified graph-based surrogate for rapid full-cycle estimation of LV myocardial biomechanics, supervised by a large FEA simulation dataset. The proposed model integrates (i) a global--local graph encoder to capture mesh features with weak-form-inspired global coupling, (ii) a gated recurrent unit-based temporal encoder conditioned on the target volume-time signal to model cycle-coherent dynamics, and (iii) a cycle-consistent bidirectional formulation for both loading and inverse unloading within a single framework. These strategies enable high fidelity with respect to traditional FEA ground truths and produce physiologically plausible pressure-volume loops that match FEA results when coupled with a lumped-parameter model. In particular, the cycle-consistency strategy enables a significant reduction in FEA supervision with only minimal loss in accuracy.
Authors: Ameya Rathod, Sujay Belsare, Salvik Krishna Nautiyal, Dhruv Laad, Ponnurangam Kumaraguru
Abstract: Recovering a unique causal graph from observational data is an ill-posed problem because multiple generating mechanisms can lead to the same observational distribution. This problem becomes solvable only by exploiting specific structural or distributional assumptions. While recent work has separately utilized time-series dynamics or multi-environment heterogeneity to constrain this problem, we integrate both as complementary sources of heterogeneity. This integration yields unified necessary identifiability conditions and enables a rigorous analysis of the statistical limits of recovery under thin versus heavy-tailed noise. In particular, temporal structure is shown to effectively substitute for missing environmental diversity, possibly achieving identifiability even under insufficient heterogeneity. Extending this analysis to heavy-tailed (Student's t) distributions, we demonstrate that while geometric identifiability conditions remain invariant, the sample complexity diverges significantly from the Gaussian baseline. Explicit information-theoretic bounds quantify this cost of robustness, establishing the fundamental limits of covariance-based causal graph recovery methods in realistic non-stationary systems. This work shifts the focus from whether causal structure is identifiable to whether it is statistically recoverable in practice.
Authors: Samuel Klein, Willie Neiswanger, Daniel Ratner, Michael Kagan, Sean Gasiorowski
Abstract: Bayesian optimal experimental design (BOED) seeks to maximize the expected information gain (EIG) of experiments. This requires a likelihood estimate, which in many settings is intractable. Simulation-based inference (SBI) provides powerful tools for this regime. However, existing work explicitly connecting SBI and BOED is restricted to a single contrastive EIG bound. We show that the EIG admits multiple formulations which can directly leverage modern SBI density estimators, encompassing neural posterior, likelihood, and ratio estimation. Building on this perspective, we define a novel EIG estimator using neural likelihood estimation. Further, we identify optimization as a key bottleneck of gradient based EIG maximization and show that a simple multi-start parallel gradient ascent procedure can substantially improve reliability and performance. With these innovations, our SBI-based BOED methods are able to match or outperform by up to $22\%$ existing state-of-the-art approaches across standard BOED benchmarks.
Authors: Emmanuel Esposito, Andrew Jacobsen, Hao Qiu, Mengxiao Zhang
Abstract: In this paper, we study dynamic regret in unconstrained online convex optimization (OCO) with movement costs. Specifically, we generalize the standard setting by allowing the movement cost coefficients $\lambda_t$ to vary arbitrarily over time. Our main contribution is a novel algorithm that establishes the first comparator-adaptive dynamic regret bound for this setting, guaranteeing $\widetilde{\mathcal{O}}(\sqrt{(1+P_T)(T+\sum_t \lambda_t)})$ regret, where $P_T$ is the path length of the comparator sequence over $T$ rounds. This recovers the optimal guarantees for both static and dynamic regret in standard OCO as a special case where $\lambda_t=0$ for all rounds. To demonstrate the versatility of our results, we consider two applications: OCO with delayed feedback and OCO with time-varying memory. We show that both problems can be translated into time-varying movement costs, establishing a novel reduction specifically for the delayed feedback setting that is of independent interest. A crucial observation is that the first-order dependence on movement costs in our regret bound plays a key role in enabling optimal comparator-adaptive dynamic regret guarantees in both settings.
Authors: Dania Humaidan, Jiahua Xu, Jing Chen, Christoph Zrenner, David Emanuel Vetter, Laura Marzetti, Paolo Belardinelli, Timo Roine, Risto J. Ilmoniemi, Gian Luca Romani, Ulf Zieman
Abstract: Background: Transcranial magnetic stimulation (TMS) is a powerful tool to investigate neurophysiology of the human brain and treat brain disorders. Traditionally, therapeutic TMS has been applied in a one-size-fits-all approach, disregarding inter- and intra-individual differences. Brain state-dependent EEG-TMS, such as coupling TMS with a pre-specified phase of the sensorimotor mu-rhythm, enables the induction of differential neuroplastic effects depending on the targeted phase. But this approach is still user-dependent as it requires defining an a-priori target phase. Objectives: To present a first realization of a machine-learning-based, closed-loop real-time EEG-TMS setup to identify user-independently the individual mu-rhythm phase associated with high- vs. low-corticospinal excitability states. Methods: We applied EEG-TMS to 25 participants targeting the supplementary motor area-primary motor cortex network and used a reinforcement learning algorithm to identify the mu-rhythm phase associated with high- vs. low corticospinal excitability. We employed linear mixed effects models and Bayesian analysis to determine effects of reinforced learning on corticospinal excitability indexed by motor evoked potential amplitude, and functional connectivity indexed by the imaginary part of resting-state EEG coherence. Results: Reinforcement learning effectively identified the mu-rhythm phase associated with high- vs. low-excitability states, and their repetitive stimulation resulted in long-term increases vs. decreases in functional connectivity in the stimulated sensorimotor network. Conclusions: We demonstrated for the first time the feasibility of closed-loop EEG-TMS in humans, a critical step towards individualized treatment of brain disorders.
Authors: Yunshi Wen, Wesley M. Gifford, Chandra Reddy, Lam M. Nguyen, Jayant Kalagnanam, Anak Agung Julius
Abstract: The recent surge in Time Series Foundation Models has rapidly advanced the field, yet the heterogeneous training setups across studies make it difficult to attribute improvements to architectural innovations versus data engineering. In this work, we investigate the potential of a standard patch Transformer, demonstrating that this generic architecture achieves state-of-the-art zero-shot forecasting performance using a straightforward training protocol. We conduct a comprehensive ablation study that covers model scaling, data composition, and training techniques to isolate the essential ingredients for high performance. Our findings identify the key drivers of performance, while confirming that the generic architecture itself demonstrates excellent scalability. By strictly controlling these variables, we provide comprehensive empirical results on model scaling across multiple dimensions. We release our open-source model and detailed findings to establish a transparent, reproducible baseline for future research.
Authors: Ziming Liu, Sophia Sanborn, Surya Ganguli, Andreas Tolias
Abstract: Can general-purpose AI architectures go beyond prediction to discover the physical laws governing the universe? True intelligence relies on "world models" -- causal abstractions that allow an agent to not only predict future states but understand the underlying governing dynamics. While previous "AI Physicist" approaches have successfully recovered such laws, they typically rely on strong, domain-specific priors that effectively "bake in" the physics. Conversely, Vafa et al. recently showed that generic Transformers fail to acquire these world models, achieving high predictive accuracy without capturing the underlying physical laws. We bridge this gap by systematically introducing three minimal inductive biases. We show that ensuring spatial smoothness (by formulating prediction as continuous regression) and stability (by training with noisy contexts to mitigate error accumulation) enables generic Transformers to surpass prior failures and learn a coherent Keplerian world model, successfully fitting ellipses to planetary trajectories. However, true physical insight requires a third bias: temporal locality. By restricting the attention window to the immediate past -- imposing the simple assumption that future states depend only on the local state rather than a complex history -- we force the model to abandon curve-fitting and discover Newtonian force representations. Our results demonstrate that simple architectural choices determine whether an AI becomes a curve-fitter or a physicist, marking a critical step toward automated scientific discovery.
Authors: Abinitha Gourabathina, Hyewon Jeong, Teya Bergamaschi, Marzyeh Ghassemi, Collin Stultz
Abstract: Deep learning models trained to optimize average accuracy often exhibit systematic failures on particular subpopulations. In real world settings, the subpopulations most affected by such disparities are frequently unlabeled or unknown, thereby motivating the development of methods that are performant on sensitive subgroups without being pre-specified. However, existing group-robust methods typically assume prior knowledge of relevant subgroups, using group annotations for training or model selection. We propose Low-rank Error Informed Adaptation (LEIA), a simple two-stage method that improves group robustness by identifying a low-dimensional subspace in the representation space where model errors concentrate. LEIA restricts adaptation to this error-informed subspace via a low-rank adjustment to the classifier logits, directly targeting latent failure modes without modifying the backbone or requiring group labels. Using five real-world datasets, we analyze group robustness under three settings: (1) truly no knowledge of subgroup relevance, (2) partial knowledge of subgroup relevance, and (3) full knowledge of subgroup relevance. Across all settings, LEIA consistently improves worst-group performance while remaining fast, parameter-efficient, and robust to hyperparameter choice.
Authors: Wenlong Mou
Abstract: We study off-policy reinforcement learning for controlling continuous-time Markov diffusion processes with discrete-time observations and actions. We consider model-free algorithms with function approximation that learn value and advantage functions directly from data, without unrealistic structural assumptions on the dynamics. Leveraging the ellipticity of the diffusions, we establish a new class of Hilbert-space positive definiteness and boundedness properties for the Bellman operators. Based on these properties, we propose the Sobolev-prox fitted $q$-learning algorithm, which learns value and advantage functions by iteratively solving least-squares regression problems. We derive oracle inequalities for the estimation error, governed by (i) the best approximation error of the function classes, (ii) their localized complexity, (iii) exponentially decaying optimization error, and (iv) numerical discretization error. These results identify ellipticity as a key structural property that renders reinforcement learning with function approximation for Markov diffusions no harder than supervised learning.
Authors: Junxiong Wang, Fengxiang Bie, Jisen Li, Zhongzhu Zhou, Zelei Shao, Yubo Wang, Yinghui Liu, Qingyang Wu, Avner May, Sri Yanamandra, Yineng Zhang, Ce Zhang, Tri Dao, Percy Liang, Ben Athiwaratkun, Shuaiwen Leon Song, Chenfeng Xu, Xiaoxia Wu
Abstract: Speculative decoding can significantly accelerate LLM serving, yet most deployments today disentangle speculator training from serving, treating speculator training as a standalone offline modeling problem. We show that this decoupled formulation introduces substantial deployment and adaptation lag: (1) high time-to-serve, since a speculator must be trained offline for a considerable period before deployment; (2) delayed utility feedback, since the true end-to-end decoding speedup is only known after training and cannot be inferred reliably from acceptance rate alone due to model-architecture and system-level overheads; and (3) domain-drift degradation, as the target model is repurposed to new domains and the speculator becomes stale and less effective. To address these issues, we present Aurora, a unified training-serving system that closes the loop by continuously learning a speculator directly from live inference traces. Aurora reframes online speculator learning as an asynchronous reinforcement-learning problem: accepted tokens provide positive feedback, while rejected speculator proposals provide implicit negative feedback that we exploit to improve sample efficiency. Our design integrates an SGLang-based inference server with an asynchronous training server, enabling hot-swapped speculator updates without service interruption. Crucially, Aurora supports day-0 deployment: a speculator can be served immediately and rapidly adapted to live traffic, improving system performance while providing immediate utility feedback. Across experiments, Aurora achieves a 1.5x day-0 speedup on recently released frontier models (e.g., MiniMax M2.1 229B and Qwen3-Coder-Next 80B). Aurora also adapts effectively to distribution shifts in user traffic, delivering an additional 1.25x speedup over a well-trained but static speculator on widely used models (e.g., Qwen3 and Llama3).
Authors: Zuyuan Zhang, Sizhe Tang, Tian Lan
Abstract: Non-Markovian dynamics are commonly found in real-world environments due to long-range dependencies, partial observability, and memory effects. The Bellman equation that is the central pillar of Reinforcement learning (RL) becomes only approximately valid under Non-Markovian. Existing work often focus on practical algorithm designs and offer limited theoretical treatment to address key questions, such as what dynamics are indeed capturable by the Bellman framework and how to inspire new algorithm classes with optimal approximations. In this paper, we present a novel topological viewpoint on temporal-difference (TD) based RL. We show that TD errors can be viewed as 1-cochain in the topological space of state transitions, while Markov dynamics are then interpreted as topological integrability. This novel view enables us to obtain a Hodge-type decomposition of TD errors into an integrable component and a topological residual, through a Bellman-de Rham projection. We further propose HodgeFlow Policy Search (HFPS) by fitting a potential network to minimize the non-integrable projection residual in RL, achieving stability/sensitivity guarantees. In numerical evaluations, HFPS is shown to significantly improve RL performance under non-Markovian.
Authors: Daniel Galperin, Ullrich K\"othe
Abstract: Learning unsupervised representations that are both semantically meaningful and stable across runs remains a central challenge in modern representation learning. We introduce entropy-ordered flows (EOFlows), a normalizing-flow framework that orders latent dimensions by their explained entropy, analogously to PCA's explained variance. This ordering enables adaptive injective flows: after training, one may retain only the top C latent variables to form a compact core representation while the remaining variables capture fine-grained detail and noise, with C chosen flexibly at inference time rather than fixed during training. EOFlows build on insights from Independent Mechanism Analysis, Principal Component Flows and Manifold Entropic Metrics. We combine likelihood-based training with local Jacobian regularization and noise augmentation into a method that scales well to high-dimensional data such as images. Experiments on the CelebA dataset show that our method uncovers a rich set of semantically interpretable features, allowing for high compression and strong denoising.
Authors: Alex McKenzie, Keenan Pepper, Stijn Servaes, Martin Leitgab, Murat Cubuktepe, Mike Vaiana, Diogo de Lucena, Judd Rosenblatt, Michael S. A. Graziano
Abstract: Large language models can resist task-misaligned activation steering during inference, sometimes recovering mid-generation to produce improved responses even when steering remains active. We term this Endogenous Steering Resistance (ESR). Using sparse autoencoder (SAE) latents to steer model activations, we find that Llama-3.3-70B shows substantial ESR, while smaller models from the Llama-3 and Gemma-2 families exhibit the phenomenon less frequently. We identify 26 SAE latents that activate differentially during off-topic content and are causally linked to ESR in Llama-3.3-70B. Zero-ablating these latents reduces the multi-attempt rate by 25%, providing causal evidence for dedicated internal consistency-checking circuits. We demonstrate that ESR can be deliberately enhanced through both prompting and training: meta-prompts instructing the model to self-monitor increase the multi-attempt rate by 4x for Llama-3.3-70B, and fine-tuning on self-correction examples successfully induces ESR-like behavior in smaller models. These findings have dual implications: ESR could protect against adversarial manipulation but might also interfere with beneficial safety interventions that rely on activation steering. Understanding and controlling these resistance mechanisms is important for developing transparent and controllable AI systems. Code is available at github.com/agencyenterprise/endogenous-steering-resistance.
Authors: Reza E. Fazel, Arash Bakhtiary, Siavash A. Bigdeli
Abstract: Addressing class imbalance is a central challenge in credit card fraud detection, as it directly impacts predictive reliability in real-world financial systems. To overcome this, the study proposes an enhanced workflow based on the Explainable Boosting Machine (EBM)-a transparent, state-of-the-art implementation of the GA2M algorithm-optimized through systematic hyperparameter tuning, feature selection, and preprocessing refinement. Rather than relying on conventional sampling techniques that may introduce bias or cause information loss, the optimized EBM achieves an effective balance between accuracy and interpretability, enabling precise detection of fraudulent transactions while providing actionable insights into feature importance and interaction effects. Furthermore, the Taguchi method is employed to optimize both the sequence of data scalers and model hyperparameters, ensuring robust, reproducible, and systematically validated performance improvements. Experimental evaluation on benchmark credit card data yields an ROC-AUC of 0.983, surpassing prior EBM baselines (0.975) and outperforming Logistic Regression, Random Forest, XGBoost, and Decision Tree models. These results highlight the potential of interpretable machine learning and data-driven optimization for advancing trustworthy fraud analytics in financial systems.
Authors: Grace Luo, Jiahai Feng, Trevor Darrell, Alec Radford, Jacob Steinhardt
Abstract: Existing approaches for analyzing neural network activations, such as PCA and sparse autoencoders, rely on strong structural assumptions. Generative models offer an alternative: they can uncover structure without such assumptions and act as priors that improve intervention fidelity. We explore this direction by training diffusion models on one billion residual stream activations, creating "meta-models" that learn the distribution of a network's internal states. We find that diffusion loss decreases smoothly with compute and reliably predicts downstream utility. In particular, applying the meta-model's learned prior to steering interventions improves fluency, with larger gains as loss decreases. Moreover, the meta-model's neurons increasingly isolate concepts into individual units, with sparse probing scores that scale as loss decreases. These results suggest generative meta-models offer a scalable path toward interpretability without restrictive structural assumptions. Project page: https://generative-latent-prior.github.io.
Authors: Sang Min Kim, Byeongchan Kim, Arijit Sehanobish, Somnath Basu Roy Chowdhury, Rahul Kidambi, Dongseok Shim, Avinava Dubey, Snigdha Chaturvedi, Min-hwan Oh, Krzysztof Choromanski
Abstract: Efficient neural networks are essential for scaling machine learning models to real-time applications and resource-constrained environments. Fully-connected feedforward layers (FFLs) introduce computation and parameter count bottlenecks within neural network architectures. To address this challenge, in this work, we propose a new class of dense layers that generalize standard fully-connected feedforward layers, \textbf{E}fficient, \textbf{U}nified and \textbf{Gen}eral dense layers (EUGens). EUGens leverage random features to approximate standard FFLs and go beyond them by incorporating a direct dependence on the input norms in their computations. The proposed layers unify existing efficient FFL extensions and improve efficiency by reducing inference complexity from quadratic to linear time. They also lead to \textbf{the first} unbiased algorithms approximating FFLs with arbitrary polynomial activation functions. Furthermore, EuGens reduce the parameter count and computational overhead while preserving the expressive power and adaptability of FFLs. We also present a layer-wise knowledge transfer technique that bypasses backpropagation, enabling efficient adaptation of EUGens to pre-trained models. Empirically, we observe that integrating EUGens into Transformers and MLPs yields substantial improvements in inference speed (up to \textbf{27}\%) and memory efficiency (up to \textbf{30}\%) across a range of tasks, including image classification, language model pre-training, and 3D scene reconstruction. Overall, our results highlight the potential of EUGens for the scalable deployment of large-scale neural networks in real-world scenarios.
Authors: Anh Thi Bui, Robert-Jeron Reifert, Hayssam Dahrouj, Aydin Sezgin
Abstract: The sixth-generation (6G) of wireless communication networks aims to leverage artificial intelligence tools for efficient and robust network optimization. This is especially the case since traditional optimization methods often face high computational complexity, motivating the use of deep learning (DL)-based optimization frameworks. In this context, this paper considers a multi-antenna base station (BS) serving multiple users simultaneously through transmit beamforming in downlink mode. To account for robustness, this work proposes an uncertainty-injected deep unfolded fractional programming (UI-DUFP) framework for weighted sum rate (WSR) maximization under imperfect channel conditions. The proposed method unfolds fractional programming (FP) iterations into trainable neural network layers refined by projected gradient descent (PGD) steps, while robustness is introduced by injecting sampled channel uncertainties during training and optimizing a quantile-based objective. Simulation results show that the proposed UI-DUFP achieves higher WSR and improved robustness compared to classical weighted minimum mean square error, FP, and DL baselines, while maintaining low inference time and good scalability. These findings highlight the potential of deep unfolding combined with uncertainty-aware training as a powerful approach for robust optimization in 6G networks.
Authors: Jack T. Parley, Francesco Cagnetta, Matthieu Wyart
Abstract: Understanding how the structure of language can be learned from sentences alone is a central question in both cognitive science and machine learning. Studies of the internal representations of Large Language Models (LLMs) support their ability to parse text when predicting the next word, while representing semantic notions independently of surface form. Yet, which data statistics make these feats possible, and how much data is required, remain largely unknown. Probabilistic context-free grammars (PCFGs) provide a tractable testbed for studying these questions. However, prior work has focused either on the post-hoc characterization of the parsing-like algorithms used by trained networks; or on the learnability of PCFGs with fixed syntax, where parsing is unnecessary. Here, we (i) introduce a tunable class of PCFGs in which both the degree of ambiguity and the correlation structure across scales can be controlled; (ii) provide a learning mechanism -- an inference algorithm inspired by the structure of deep convolutional networks -- that links learnability and sample complexity to specific language statistics; and (iii) validate our predictions empirically across deep convolutional and transformer-based architectures. Overall, we propose a unifying framework where correlations at different scales lift local ambiguities, enabling the emergence of hierarchical representations of the data.
Authors: Dinesh Gopalan, Ratul Ali
Abstract: The escalating demand for high-fidelity, real-time inference in distributed edge-cloud environments necessitates aggressive model optimization to counteract severe latency and energy constraints. This paper introduces the Hybrid Quantization and Pruning (HQP) framework, a novel, integrated methodology designed to achieve synergistic model acceleration while adhering to strict quality guarantees. We detail a sensitivity-aware structural pruning algorithm that employs a dynamic weight sensitivity metric, derived from a highly efficient approximation of the Fisher Information Matrix (FIM), to guide the iterative removal of redundant filters. This pruning is strictly conditional, enforcing an adherence to a maximum permissible accuracy drop (Delta ax) before the model proceeds to 8-bit post-training quantization. This rigorous coordination is critical, as it ensures the resultant sparse model structure is maximally robust to quantization error and hardware-specific kernel optimization. Exhaustive evaluation across heterogeneous NVIDIA Jetson edge platforms, utilizing resource-efficient architectures like MobileNetV3 and ResNet-18, demonstrates that the HQP framework achieves a peak performance gain of 3.12 times inference speedup and a 55 percent model size reduction, while rigorously containing the accuracy drop below the 1.5 percent constraint. A comprehensive comparative analysis against conventional single-objective compression techniques validates the HQP framework as a superior, hardware-agnostic solution for deploying ultra-low-latency AI in resource-limited edge infrastructures.
Authors: Rui Ning, Wei Zhang, Fan Lai
Abstract: Attention efficiency is critical to large language model (LLM) inference. While prior advances optimize attention execution for individual requests (e.g., FlashAttention), production LLM serving relies on batching requests with highly heterogeneous sequence lengths for high serving throughput. This mismatch induces severe computation and I/O imbalance, exacerbates stragglers, and underutilizes GPU resources. We present PackInfer, a kernel-level attention framework that enables compute- and I/O-aware execution for heterogeneous batched inference. PackInfer orchestrates batched requests into load-balanced execution groups, effectively saturating GPU utilization by packing multiple requests into unified kernel launches. By constructing attention kernels directly over packed query-key regions, PackInfer eliminates redundant computation and balances thread-block execution. It then incorporates I/O-aware grouping that co-locates shared-prefix requests and reorganizes KV caches into group-contiguous layouts, reducing memory fragmentation and redundant data movement as generation evolves. Evaluations on real-world workloads show that PackInfer reduces inference latency by 13.0-20.1%, and improves throughput by 20% compared to the state-of-the-art FlashAttention.
Authors: Elliot L. Epstein, Rajat Dwaraknath, John Winnicki, Thanawat Sornwanee
Abstract: This paper argues that large ML conferences should allocate marginal review capacity primarily to papers near the acceptance boundary, rather than spreading extra reviews via random or affinity-driven heuristics. We propose using LLM-based comparative ranking (via pairwise comparisons and a Bradley--Terry model) to identify a borderline band \emph{before} human reviewing and to allocate \emph{marginal} reviewer capacity at assignment time. Concretely, given a venue-specific minimum review target (e.g., 3 or 4), we use this signal to decide which papers receive one additional review (e.g., a 4th or 5th), without conditioning on any human reviews and without using LLM outputs for accept/reject. We provide a simple expected-impact calculation in terms of (i) the overlap between the predicted and true borderline sets ($\rho$) and (ii) the incremental value of an extra review near the boundary ($\Delta$), and we provide retrospective proxies to estimate these quantities.
Authors: Liangyu Wang, Siqi Zhang, Junjie Wang, Yiming Dong, Bo Zheng, Zihan Qiu, Shengkun Tang, Di Wang, Rui Men, Dayiheng Liu
Abstract: The scaling of Large Language Models (LLMs) drives interest in matrix-based optimizers (e.g., Shampoo, Muon, SOAP) for their convergence efficiency; yet their requirement for holistic updates conflicts with the tensor fragmentation in distributed frameworks like Megatron. Existing solutions are suboptimal: synchronous approaches suffer from computational redundancy, while layer-wise partitioning fails to reconcile this conflict without violating the geometric constraints of efficient communication primitives. To bridge this gap, we propose Canzona, a Unified, Asynchronous, and Load-Balanced framework that decouples logical optimizer assignment from physical parameter distribution. For Data Parallelism, we introduce an alpha-Balanced Static Partitioning strategy that respects atomicity while neutralizing the load imbalance. For Tensor Parallelism, we design an Asynchronous Compute pipeline utilizing Micro-Group Scheduling to batch fragmented updates and hide reconstruction overhead. Extensive evaluations on the Qwen3 model family (up to 32B parameters) on 256 GPUs demonstrate that our approach preserves the efficiency of established parallel architectures, achieving a 1.57x speedup in end-to-end iteration time and reducing optimizer step latency by 5.8x compared to the baseline.
Authors: Nicolas Menet, Michael Hersche, Andreas Krause, Abbas Rahimi
Abstract: Coding agents are increasingly utilized in test-driven software development, yet the theoretical mechanisms behind their environment-interaction strategies remain underexplored. We provide a probabilistic framework for two dominant paradigms: code selection after generation using the execution environment, and code generation conditioned on environment feedback. First, we formalize several well-established selection heuristics as environment-aware estimators of code correctness. We theoretically prove that estimators based on fuzzy functional similarity add an inductive bias and strictly dominate estimators based on functional equivalence in terms of signal-to-noise ratio. Second, we frame backprompting as an in-context approximation of Thompson sampling. We derive a novel regret bound for reward functions with unobservable components, theoretically explaining why the effectiveness of backprompting is limited by the ambiguity of the informal task description (an irreducible regret). Using three state-of-the-art open weight models, we corroborate these findings across BigCodeBenchHard, LeetCodeDataset, and QiskitHumanEvalSim. Our formalization also suggests how to improve task descriptions effectively, leading to a new benchmark, QiskitHumanEvalSimX.
Authors: Yulia Alexandr, Hao Duan, Guido Mont\'ufar
Abstract: We formulate formal robustness verification of neural networks as an algebraic optimization problem. We leverage the Euclidean Distance (ED) degree, which is the generic number of complex critical points of the distance minimization problem to a classifier's decision boundary, as an architecture-dependent measure of the intrinsic complexity of robustness verification. To make this notion operational, we define the associated ED discriminant, which characterizes input points at which the number of real critical points changes, distinguishing test instances that are easier or harder to verify. We provide an explicit algorithm for computing this discriminant. We further introduce the parameter discriminant of a neural network, identifying parameters where the ED degree drops and the decision boundary exhibits reduced algebraic complexity. We derive closed-form expressions for the ED degree for several classes of neural architectures, as well as formulas for the expected number of real critical points in the infinite-width limit. Finally, we present an exact robustness certification algorithm based on numerical homotopy continuation, establishing a concrete link between metric algebraic geometry and neural network verification.
Authors: Ricard Puig, Berta Casas, Alba Cervera-Lierta, Zo\"e Holmes, Adri\'an P\'erez-Salinas
Abstract: Reliable preparation of many-body ground states is an essential task in quantum computing, with applications spanning areas from chemistry and materials modeling to quantum optimization and benchmarking. A variety of approaches have been proposed to tackle this problem, including variational methods. However, variational training often struggle to navigate complex energy landscapes, frequently encountering suboptimal local minima or suffering from barren plateaus. In this work, we introduce an iterative strategy for ground-state preparation based on a stepwise (discretized) Hamiltonian deformation. By complementing the Variational Quantum Eigensolver (VQE) with adiabatic principles, we demonstrate that solving a sequence of intermediate problems facilitates tracking the ground-state manifold toward the target system, even as we scale the system size. We provide a rigorous theoretical foundation for this approach, proving a lower bound on the loss variance that suggests trainability throughout the deformation, provided the system remains away from gap closings. Numerical simulations, including the effects of shot noise, confirm that this path-dependent tracking consistently converges to the target ground state.
Authors: Amir H. Ashouri, Shayan Shirahmad Gale Bagi, Kavin Satheeskumar, Tejas Srikanth, Jonathan Zhao, Ibrahim Saidoun, Ziwen Wang, Bryan Chan, Tomasz S. Czajkowski
Abstract: The phase ordering problem has been a long-standing challenge since the late 1970s, yet it remains an open problem due to having a vast optimization space and an unbounded nature, making it an open-ended problem without a finite solution, one can limit the scope by reducing the number and the length of optimizations. Traditionally, such locally optimized decisions are made by hand-coded algorithms tuned for a small number of benchmarks, often requiring significant effort to be retuned when the benchmark suite changes. In the past 20 years, Machine Learning has been employed to construct performance models to improve the selection and ordering of compiler optimizations, however, the approaches are not baked into the compiler seamlessly and never materialized to be leveraged at a fine-grained scope of code segments. This paper presents Protean Compiler: An agile framework to enable LLVM with built-in phase-ordering capabilities at a fine-grained scope. The framework also comprises a complete library of more than 140 handcrafted static feature collection methods at varying scopes, and the experimental results showcase speedup gains of up to 4.1% on average and up to 15.7% on select Cbench applications wrt LLVM's O3 by just incurring a few extra seconds of build time on Cbench. Additionally, Protean compiler allows for an easy integration with third-party ML frameworks and other Large Language Models, and this two-step optimization shows a gain of 10.1% and 8.5% speedup wrt O3 on Cbench's Susan and Jpeg applications. Protean compiler is seamlessly integrated into LLVM and can be used as a new, enhanced, full-fledged compiler. We plan to release the project to the open-source community in the near future.
Authors: Jonathan Feldman, Tal Feldman, Annie I Anton
Abstract: Biological AI tools for protein design and structure prediction are advancing rapidly, creating dual-use risks that existing safeguards cannot adequately address. Current model-level restrictions, including keyword filtering, output screening, and content-based access denials, are fundamentally ill-suited to biology, where reliable function prediction remains beyond reach and novel threats evade detection by design. We propose a three-tier Know Your Customer (KYC) framework, inspired by anti-money laundering (AML) practices in the financial sector, that shifts governance from content inspection to user verification and monitoring. Tier I leverages research institutions as trust anchors to vouch for affiliated researchers and assume responsibility for vetting. Tier II applies output screening through sequence homology searches and functional annotation. Tier III monitors behavioral patterns to detect anomalies inconsistent with declared research purposes. This layered approach preserves access for legitimate researchers while raising the cost of misuse through institutional accountability and traceability. The framework can be implemented immediately using existing institutional infrastructure, requiring no new legislation or regulatory mandates.
Authors: Kaushik Sinha, Christopher Tosh
Abstract: Expand-and-sparsify representations are a class of theoretical models that capture sparse representation phenomena observed in the sensory systems of many animals. At a high level, these representations map an input $x \in \mathbb{R}^d$ to a much higher dimension $m \gg d$ via random linear projections before zeroing out all but the $k \ll m$ largest entries. The result is a $k$-sparse vector in $\{0,1\}^m$. We study the suitability of this representation for two fundamental statistical problems: density estimation and mode estimation. For density estimation, we show that a simple linear function of the expand-and-sparsify representation produces an estimator with minimax-optimal $\ell_{\infty}$ convergence rates. In mode estimation, we provide simple algorithms on top of our density estimator that recover single or multiple modes at optimal rates up to logarithmic factors under mild conditions.
Authors: Peiyang Song, Pengrui Han, Noah Goodman
Abstract: Large Language Models (LLMs) have exhibited remarkable reasoning capabilities, achieving impressive results across a wide range of tasks. Despite these advances, significant reasoning failures persist, occurring even in seemingly simple scenarios. To systematically understand and address these shortcomings, we present the first comprehensive survey dedicated to reasoning failures in LLMs. We introduce a novel categorization framework that distinguishes reasoning into embodied and non-embodied types, with the latter further subdivided into informal (intuitive) and formal (logical) reasoning. In parallel, we classify reasoning failures along a complementary axis into three types: fundamental failures intrinsic to LLM architectures that broadly affect downstream tasks; application-specific limitations that manifest in particular domains; and robustness issues characterized by inconsistent performance across minor variations. For each reasoning failure, we provide a clear definition, analyze existing studies, explore root causes, and present mitigation strategies. By unifying fragmented research efforts, our survey provides a structured perspective on systemic weaknesses in LLM reasoning, offering valuable insights and guiding future research towards building stronger, more reliable, and robust reasoning capabilities. We additionally release a comprehensive collection of research works on LLM reasoning failures, as a GitHub repository at https://github.com/Peiyang-Song/Awesome-LLM-Reasoning-Failures, to provide an easy entry point to this area.
URLs: https://github.com/Peiyang-Song/Awesome-LLM-Reasoning-Failures,
Authors: Parv Maheshwari, Jay Karhade, Yogesh Chawla, Isaiah Adu, Florian Heisen, Andrew Porco, Andrew Jong, Yifei Liu, Santosh Pitla, Sebastian Scherer, Wenshan Wang
Abstract: We present AnyThermal, a thermal backbone that captures robust task-agnostic thermal features suitable for a variety of tasks such as cross-modal place recognition, thermal segmentation, and monocular depth estimation using thermal images. Existing thermal backbones that follow task-specific training from small-scale data result in utility limited to a specific environment and task. Unlike prior methods, AnyThermal can be used for a wide range of environments (indoor, aerial, off-road, urban) and tasks, all without task-specific training. Our key insight is to distill the feature representations from visual foundation models such as DINOv2 into a thermal encoder using thermal data from these multiple environments. To bridge the diversity gap of the existing RGB-Thermal datasets, we introduce the TartanRGBT platform, the first open-source data collection platform with synced RGB-Thermal image acquisition. We use this payload to collect the TartanRGBT dataset - a diverse and balanced dataset collected in 4 environments. We demonstrate the efficacy of AnyThermal and TartanRGBT, achieving state-of-the-art results with improvements of up to 36% across diverse environments and downstream tasks on existing datasets.
Authors: Jorge Daniel Rodr\'iguez-Vidal, Gabriel Villalonga, Diego Porres, Antonio M. L\'opez Pe\~na
Abstract: End-to-End Autonomous Driving (E2E-AD) systems are typically grouped by the nature of their outputs: (i) waypoint-based models that predict a future trajectory, and (ii) action-based models that directly output throttle, steer and brake. Most recent benchmark protocols and training pipelines are waypoint-based, which makes action-based policies harder to train and compare, slowing their progress. To bridge this waypoint-action gap, we propose a novel, differentiable vehicle-model framework that rolls out predicted action sequences to their corresponding ego-frame waypoint trajectories while supervising in waypoint space. Our approach enables action-based architectures to be trained and evaluated, for the first time, within waypoint-based benchmarks without modifying the underlying evaluation protocol. We extensively evaluate our framework across multiple challenging benchmarks and observe consistent improvements over the baselines. In particular, on NAVSIM \texttt{navhard} our approach achieves state-of-the-art performance. Our code will be made publicly available upon acceptance.
Authors: Gr\'egoire Dhimo\"ila, Thomas Fel, Victor Boutin, Agustin Picard
Abstract: Vision-language models (VLMs) align images and text with remarkable success, yet the geometry of their shared embedding space remains poorly understood. To probe this geometry, we begin from the Iso-Energy Assumption, which exploits cross-modal redundancy: a concept that is truly shared should exhibit the same average energy across modalities. We operationalize this assumption with an Aligned Sparse Autoencoder (SAE) that encourages energy consistency during training while preserving reconstruction. We find that this inductive bias changes the SAE solution without harming reconstruction, giving us a representation that serves as a tool for geometric analysis. Sanity checks on controlled data with known ground truth confirm that alignment improves when Iso-Energy holds and remains neutral when it does not. Applied to foundational VLMs, our framework reveals a clear structure with practical consequences: (i) sparse bimodal atoms carry the entire cross-modal alignment signal; (ii) unimodal atoms act as modality-specific biases and fully explain the modality gap; (iii) removing unimodal atoms collapses the gap without harming performance; (iv) restricting vector arithmetic to the bimodal subspace yields in-distribution edits and improved retrieval. These findings suggest that the right inductive bias can both preserve model fidelity and render the latent geometry interpretable and actionable.
Authors: Pierriccardo Olivieri, Fausto Lasca, Alessandro Gianola, Matteo Papini
Abstract: In this work, we propose a novel framework for the logical specification of non-Markovian rewards in Markov Decision Processes (MDPs) with large state spaces. Our approach leverages Linear Temporal Logic Modulo Theories over finite traces (LTLfMT), a more expressive extension of classical temporal logic in which predicates are first-order formulas of arbitrary first-order theories rather than simple Boolean variables. This enhanced expressiveness enables the specification of complex tasks over unstructured and heterogeneous data domains, promoting a unified and reusable framework that eliminates the need for manual predicate encoding. However, the increased expressive power of LTLfMT introduces additional theoretical and computational challenges compared to standard LTLf specifications. We address these challenges from a theoretical standpoint, identifying a fragment of LTLfMT that is tractable but sufficiently expressive for reward specification in an infinite-state-space context. From a practical perspective, we introduce a method based on reward machines and Hindsight Experience Replay (HER) to translate first-order logic specifications and address reward sparsity. We evaluate this approach to a continuous-control setting using Non-Linear Arithmetic Theory, showing that it enables natural specification of complex tasks. Experimental results show how a tailored implementation of HER is fundamental in solving tasks with complex goals.
Authors: Nicolas Ewen, Jairo Diaz-Rodriguez, Kelly Ramsay
Abstract: Techniques for feedforward networks (FFNs) and convolutional networks (CNNs) are frequently reused across families, but the relationship between the underlying model classes is rarely made explicit. We introduce a unified node-level formalization with tensor-valued activations and show that generalized feedforward networks form a strict subset of generalized convolutional networks. Motivated by the mismatch in per-input parameterization between the two families, we propose model projection, a parameter-efficient transfer learning method for CNNs that freezes pretrained per-input-channel filters and learns a single scalar gate for each (output channel, input channel) contribution. Projection keeps all convolutional layers adaptable to downstream tasks while substantially reducing the number of trained parameters in convolutional layers. We prove that projected nodes take the generalized FFN form, enabling projected CNNs to inherit feedforward techniques that do not rely on homogeneous layer inputs. Experiments across multiple ImageNet-pretrained backbones and several downstream image classification datasets show that model projection is a strong transfer learning baseline under simple training recipes.
Authors: Junhyeok Lee, Han Jang, Kyu Sung Choi
Abstract: Large Language Models (LLMs) and Retrieval-Augmented Generation (RAG) systems are increasingly integrated into clinical workflows; however, prompt injection attacks can steer these systems toward clinically unsafe or misleading outputs. We introduce the Medical Prompt Injection Benchmark (MPIB), a dataset-and-benchmark suite for evaluating clinical safety under both direct prompt injection and indirect, RAG-mediated injection across clinically grounded tasks. MPIB emphasizes outcome-level risk via the Clinical Harm Event Rate (CHER), which measures high-severity clinical harm events under a clinically grounded taxonomy, and reports CHER alongside Attack Success Rate (ASR) to disentangle instruction compliance from downstream patient risk. The benchmark comprises 9,697 curated instances constructed through multi-stage quality gates and clinical safety linting. Evaluating MPIB across a diverse set of baseline LLMs and defense configurations, we find that ASR and CHER can diverge substantially, and that robustness depends critically on whether adversarial instructions appear in the user query or in retrieved context. We release MPIB with evaluation code, adversarial baselines, and comprehensive documentation to support reproducible and systematic research on clinical prompt injection. Code and data are available at GitHub (code) and Hugging Face (data).
Authors: Kayla E. Scharfstein, Arun Kumar Kuchibhotla
Abstract: Given that machine learning algorithms are increasingly being deployed to aid in high stakes decision-making, uncertainty quantification methods that wrap around these black box models such as conformal prediction have received much attention in recent years. In sequential settings, where data are observed/generated in a streaming fashion, traditional conformal methods do not provide any guarantee without fixing the sample size. More importantly, traditional conformal methods cannot cope with sequentially updated predictions. As such, we develop an extension of the conformal prediction and related probably approximately correct (PAC) prediction frameworks to sequential settings where the number of data points is not fixed in advance. The resulting prediction sets are anytime-valid in that their expected coverage is at the required level at any time chosen by the analyst even if this choice depends on the data. We present theoretical guarantees for our proposed methods and demonstrate their validity and utility on simulated and real datasets.
Authors: Sota Nishiyama, Masaaki Imaizumi
Abstract: Modern machine learning models are typically trained via multi-pass stochastic gradient descent (SGD) with small batch sizes, and understanding their dynamics in high dimensions is of great interest. However, an analytical framework for describing the high-dimensional asymptotic behavior of multi-pass SGD with small batch sizes for nonlinear models is currently missing. In this study, we address this gap by analyzing the high-dimensional dynamics of a stochastic differential equation called a \emph{stochastic gradient flow} (SGF), which approximates multi-pass SGD in this regime. In the limit where the number of data samples $n$ and the dimension $d$ grow proportionally, we derive a closed system of low-dimensional and continuous-time equations and prove that it characterizes the asymptotic distribution of the SGF parameters. Our theory is based on the dynamical mean-field theory (DMFT) and is applicable to a wide range of models encompassing generalized linear models and two-layer neural networks. We further show that the resulting DMFT equations recover several existing high-dimensional descriptions of SGD dynamics as special cases, thereby providing a unifying perspective on prior frameworks such as online SGD and high-dimensional linear regression. Our proof builds on the existing DMFT technique for gradient flow and extends it to handle the stochasticity in SGF using tools from stochastic calculus.
Authors: Ahmad Alemari, Pritam Sen, Cristian Borcea
Abstract: Since most countries are coming up with online privacy regulations, such as GDPR in the EU, online publishers need to find a balance between revenue from targeted advertisement and user privacy. One way to be able to still show targeted ads, based on user personal and behavioral information, is to employ Federated Learning (FL), which performs distributed learning across users without sharing user raw data with other stakeholders in the publishing ecosystem. This paper presents AdFL, an FL framework that works in the browsers to learn user ad preferences. These preferences are aggregated in a global FL model, which is then used in the browsers to show more relevant ads to users. AdFL can work with any model that uses features available in the browser such as ad viewability, ad click-through, user dwell time on pages, and page content. The AdFL server runs at the publisher and coordinates the learning process for the users who browse pages on the publisher's website. The AdFL prototype does not require the client to install any software, as it is built utilizing standard APIs available on most modern browsers. We built a proof-of-concept model for ad viewability prediction that runs on top of AdFL. We tested AdFL and the model with two non-overlapping datasets from a website with 40K visitors per day. The experiments demonstrate AdFL's feasibility to capture the training information in the browser in a few milliseconds, show that the ad viewability prediction achieves up to 92.59% AUC, and indicate that utilizing differential privacy (DP) to safeguard local model parameters yields adequate performance, with only modest declines in comparison to the non-DP variant.
Authors: Junqi Chen, Sirui Chen, Chaochao Lu
Abstract: Causal inference is essential for decision-making but remains challenging for non-experts. While large language models (LLMs) show promise in this domain, their precise causal estimation capabilities are still limited, and the impact of post-training on these abilities is insufficiently explored. This paper examines the extent to which post-training can enhance LLMs' capacity for causal inference. We introduce CauGym, a comprehensive dataset comprising seven core causal tasks for training and five diverse test sets. Using this dataset, we systematically evaluate five post-training approaches: SFT, DPO, KTO, PPO, and GRPO. Across five in-domain and four existing benchmarks, our experiments demonstrate that appropriate post-training enables smaller LLMs to perform causal inference competitively, often surpassing much larger models. Our 14B parameter model achieves 93.5% accuracy on the CaLM benchmark, compared to 55.4% by OpenAI o3. Furthermore, the post-trained LLMs exhibit strong generalization and robustness under real-world conditions such as distribution shifts and noisy data. Collectively, these findings provide the first systematic evidence that targeted post-training can produce reliable and robust LLM-based causal reasoners. Our data and GRPO-model are available at https://github.com/OpenCausaLab/CauGym.
Authors: Zihan Li, Yan Hao Ling, Jonathan Scarlett, Warut Suksompong
Abstract: We introduce a problem of fairly allocating indivisible goods (items) in which the agents' valuations cannot be observed directly, but instead can only be accessed via noisy queries. In the two-agent setting with Gaussian noise and bounded valuations, we derive upper and lower bounds on the required number of queries for finding an envy-free allocation in terms of the number of items, $m$, and the negative-envy of the optimal allocation, $\Delta$. In particular, when $\Delta$ is not too small (namely, $\Delta \gg m^{1/4}$), we establish that the optimal number of queries scales as $\frac{\sqrt m }{(\Delta / m)^2} = \frac{m^{2.5}}{\Delta^2}$ up to logarithmic factors. Our upper bound is based on non-adaptive queries and a simple thresholding-based allocation algorithm that runs in polynomial time, while our lower bound holds even under adaptive queries and arbitrary computation time.
Authors: Venkata Rajesh Chundru, Shreshta Rajakumar Deshpande, Stanislav A Gankov
Abstract: The existing literature on Battery Energy Storage Systems (BESS) predominantly focuses on two main areas: control system design aimed at achieving grid stability and the techno-economic analysis of BESS dispatch on power grid. However, with the increasing incorporation of ancillary services into power grids, a more comprehensive approach to energy management systems is required. Such an approach should not only optimize revenue generation from BESS but also ensure the safe, efficient, and reliable operation of lithium-ion batteries. This research seeks to bridge this gap by exploring literature that addresses both the economic and operational dimensions of BESS. Specifically, it examines how economic aspects of grid duty cycles can align with control schemes deployed in BESS systems. This alignment, or synergy, could be instrumental in creating robust digital twins virtual representations of BESS systems that enhance both grid stability and revenue potential. The literature review is organized into five key categories: (1) ancillary services for BESS, exploring support functions that BESS can provide to power grids; (2) control systems developed for real-time BESS power flow management, ensuring smooth operations under dynamic grid conditions; (3) optimization algorithms for BESS dispatch, focusing on efficient energy allocation strategies; (4) techno-economic analyses of BESS and battery systems to assess their financial viability; and (5) digital twin technologies for real-world BESS deployments, enabling advanced predictive maintenance and performance optimization. This review will identify potential synergies, research gaps, and emerging trends, paving the way for future innovations in BESS management and deployment strategies.
Authors: Hee-Sun Choi, Beom-Seok Han
Abstract: We introduce a multiplicative neural network architecture in which multiplicative interactions constitute the fundamental representation, rather than appearing as auxiliary components within an additive model. We establish a universal approximation theorem for this architecture and analyze its approximation properties in terms of locality and regularity in Bessel potential spaces. To complement the theoretical results, we conduct numerical experiments on representative targets exhibiting sharp transition layers or pointwise loss of higher-order regularity. The experiments focus on the spatial structure of approximation errors and on regularity-sensitive quantities, in particular the convergence of Zygmund-type seminorms. The results show that the proposed multiplicative architecture yields residual error structures that are more tightly aligned with regions of reduced regularity and exhibits more stable convergence in regularity-sensitive metrics. These results demonstrate that adopting a multiplicative representation format has concrete implications for the localization and regularity behavior of neural network approximations, providing a direct connection between architectural design and analytical properties of the approximating functions.
Authors: Semin Park, Chae-Yeun Park
Abstract: We introduce HyQuRP, a hybrid quantum-classical neural network equivariant to rotational and permutational symmetries. While existing equivariant quantum machine learning models often rely on ad hoc constructions, HyQuRP is built upon the formal foundations of group representation theory. In the sparse-point regime, HyQuRP consistently outperforms strong classical and quantum baselines across multiple benchmarks. For example, when six subsampled points are used, HyQuRP ($\sim$1.5K parameters) achieves 76.13% accuracy on the 5-class ModelNet benchmark, compared to approximately 71% for PointNet, PointMamba, and PointTransformer with similar parameter counts. These results highlight HyQuRP's exceptional data efficiency and suggest the potential of quantum machine learning models for processing 3D point cloud data.
Authors: Mona Rajhans, Vishal Khawarey
Abstract: Machine learning (ML) models are increasingly deployed in cybersecurity applications such as phishing detection and network intrusion prevention. However, these models remain vulnerable to adversarial perturbations small, deliberate input modifications that can degrade detection accuracy and compromise interpretability. This paper presents an empirical study of adversarial robustness and explainability drift across two cybersecurity domains phishing URL classification and network intrusion detection. We evaluate the impact of L (infinity) bounded Fast Gradient Sign Method (FGSM) and Projected Gradient Descent (PGD) perturbations on model accuracy and introduce a quantitative metric, the Robustness Index (RI), defined as the area under the accuracy perturbation curve. Gradient based feature sensitivity and SHAP based attribution drift analyses reveal which input features are most susceptible to adversarial manipulation. Experiments on the Phishing Websites and UNSW NB15 datasets show consistent robustness trends, with adversarial training improving RI by up to 9 percent while maintaining clean-data accuracy. These findings highlight the coupling between robustness and interpretability degradation and underscore the importance of quantitative evaluation in the design of trustworthy, AI-driven cybersecurity systems.
Authors: Daisuke Oba, Danushka Bollegala, Masahiro Kaneko, Naoaki Okazaki
Abstract: Masked Diffusion Language Models generate sequences via iterative sampling that progressively unmasks tokens. However, they still recompute the attention and feed-forward blocks for every token position at every step -- even when many unmasked tokens are essentially fixed, resulting in substantial waste in compute. We propose SureLock: when the posterior at an unmasked position has stabilized across steps (our sure condition), we lock that position -- thereafter skipping its query projection and feed-forward sublayers -- while caching its attention keys and values so other positions can continue to attend to it. This reduces the dominant per-iteration computational cost from $O(N^2d)$ to $O(MNd)$ where $N$ is the sequence length, $M$ is the number of unlocked token positions, and $d$ is the model dimension. In practice, $M$ decreases as the iteration progresses, yielding substantial savings. On LLaDA-8B, SureLock reduces algorithmic FLOPs by 30--50% relative to the same sampler without locking, while maintaining comparable generation quality. We also provide a theoretical analysis to justify the design rationale of SureLock: monitoring only the local KL at the lock step suffices to bound the deviation in final token probabilities. Our code will be available at https://daioba.github.io/surelock .
Authors: Satyam Dwivedi, Sanjukta Ghosh, Shivam Dwivedi, Nishi Kumari, Anil Thakur, Anurag Purushottam, Deepak Alok, Praveen Gatla, Manjuprasad B, Bipasha Patgiri
Abstract: Large Language Models (LLMs) perform well on many reasoning benchmarks, yet existing evaluations rarely assess their ability to distinguish between meaningful semantic relations and genuine unrelatedness. We introduce CORE (Comprehensive Ontological Relation Evaluation), a dataset of 225K multiple-choice questions spanning 74 disciplines, together with a general-domain open-source benchmark of 203 rigorously validated questions (Cohen's Kappa = 1.0) covering 24 semantic relation types with equal representation of unrelated pairs. A human baseline from 1,000+ participants achieves 92.6% accuracy (95.1% on unrelated pairs). In contrast, 29 state-of-the-art LLMs achieve 48.25-70.9% overall accuracy, with near-ceiling performance on related pairs (86.5-100%) but severe degradation on unrelated pairs (0-41.35%), despite assigning similar confidence (92-94%). Expected Calibration Error increases 2-4x on unrelated pairs, and a mean semantic collapse rate of 37.6% indicates systematic generation of spurious relations. On the CORE 225K MCQs dataset, accuracy further drops to approximately 2%, highlighting substantial challenges in domain-specific semantic reasoning. We identify unrelatedness reasoning as a critical, under-evaluated frontier for LLM evaluation and safety.
Authors: Daisuke Oba, Hiroki Furuta, Naoaki Okazaki
Abstract: Masked diffusion language models generate by iteratively filling masked tokens over multiple denoising steps, so learning only from a terminal reward on the final completion yields coarse credit assignment over intermediate decisions. We propose DiSPO (Diffusion-State Policy Optimization), a plug-in credit-assignment layer that directly optimizes intermediate filling decisions. At selected intermediate masked states, DiSPO branches by resampling fillings for the currently masked positions from rollout-cached logits, scores the resulting completions, and updates only the newly filled tokens -- without additional multi-step diffusion rollouts. We formalize a fixed-state objective for branched completions and derive a policy-gradient estimator that can be combined with terminal-feedback policy optimization using the same rollouts. On LLaDA-8B-Instruct, DiSPO consistently improves over the terminal-feedback diffu-GRPO baseline on math and planning benchmarks under matched rollout compute and optimizer steps. Our code will be available at https://daioba.github.io/dispo .
Authors: Feng-Ting Liao, Meng-Hsi Chen, Guan-Ting Yi, Da-shan Shiu
Abstract: Dense Transformer language models have largely adhered to one consistent architectural shape: each layer consists of an attention module followed by a feed-forward network (FFN) with a narrow-wide-narrow MLP, allocating most parameters to the MLP at expansion ratios between 2 and 4. Motivated by recent results that residual wide-narrow-wide (hourglass) MLPs offer superior function approximation capabilities, we revisit the long-standing MLP shape convention in Transformer, challenging the necessity of the narrow-wide-narrow design. To study this, we develop a Transformer variant that replaces the conventional FFN with a deeper hourglass-shaped FFN, comprising a stack of hourglass sub-MLPs connected by residual pathways. We posit that a deeper but lighter hourglass FFN can serve as a competitive alternative to the conventional FFN, and that parameters saved by using a lighter hourglass FFN can be more effectively utilized, such as by enlarging model hidden dimensions under fixed budgets. We confirm these through empirical validations across model scales: hourglass FFNs outperform conventional FFNs up to 400M and achieve comparable performance at larger scales to 1B parameters; hourglass FFN variants with reduced FFN and increased attention parameters show consistent improvements over conventional configurations at matched budgets. Together, these findings shed new light on recent work and prompt a rethinking of the narrow-wide-narrow MLP convention and the balance between attention and FFN towards efficient and expressive modern language models.
Authors: Kyungbeom Kim, Seungwon Oh, Kyung-Joong Kim
Abstract: Parameter sharing is a key strategy in multi-agent reinforcement learning (MARL) for improving scalability, yet conventional fully shared architectures often collapse into homogeneous behaviors. Recent methods introduce diversity through clustering, pruning, or masking, but typically compromise resource efficiency. We propose Prism, a parameter sharing framework that induces inter-agent diversity by representing shared networks in the spectral domain via singular value decomposition (SVD). All agents share the singular vector directions while learning distinct spectral masks on singular values. This mechanism encourages inter-agent diversity and preserves scalability. Extensive experiments on both homogeneous (LBF, SMACv2) and heterogeneous (MaMuJoCo) benchmarks show that Prism achieves competitive performance with superior resource efficiency.
Authors: Yongkang Lai, Xihan Mu, Tim R. McVicar, Dasheng Fan, Donghui Xie, Shanxin Guo, Wenli Huang, Tianjie Zhao, Guangjian Yan
Abstract: Large-scale, high-resolution forest canopy height mapping plays a crucial role in understanding regional and global carbon and water cycles. Spaceborne LiDAR missions, including the Ice, Cloud, and Land Elevation Satellite-2 (ICESat-2) and the Global Ecosystem Dynamics Investigation (GEDI), provide global observations of forest structure but are spatially sparse and subject to inherent uncertainties. In contrast, near-surface LiDAR platforms, such as airborne and unmanned aerial vehicle (UAV) LiDAR systems, offer much finer measurements of forest canopy structure, and a growing number of countries have made these datasets openly available. In this study, a state-of-the-art monocular depth estimation model, Depth Anything V2, was trained using approximately 16,000 km2 of canopy height models (CHMs) derived from publicly available airborne LiDAR point clouds and related products across multiple countries, together with 3 m resolution PlanetScope and airborne RGB imagery. The trained model, referred to as Depth2CHM, enables the estimation of spatially continuous CHMs directly from PlanetScope RGB imagery. Independent validation was conducted at sites in China (approximately 1 km2) and the United States (approximately 116 km2). The results showed that Depth2CHM could accurately estimate canopy height, with biases of 0.59 m and 0.41 m and root mean square errors (RMSEs) of 2.54 m and 5.75 m for these two sites, respectively. Compared with an existing global meter-resolution CHM product, the mean absolute error is reduced by approximately 1.5 m and the RMSE by approximately 2 m. These results demonstrated that monocular depth estimation networks trained with large-scale airborne LiDAR-derived canopy height data provide a promising and scalable pathway for high-resolution, spatially continuous forest canopy height estimation from satellite RGB imagery.
Authors: Lukas Karner, Max Landauer, Markus Wurzenberger, Florian Skopik
Abstract: Automated detection of cyber attacks is a critical capability to counteract the growing volume and sophistication of cyber attacks. However, the high numbers of security alerts issued by intrusion detection systems lead to alert fatigue among analysts working in security operations centres (SOC), which in turn causes slow reaction time and incorrect decision making. Alert grouping, which refers to clustering of security alerts according to their underlying causes, can significantly reduce the number of distinct items analysts have to consider. Unfortunately, conventional time-based alert grouping solutions are unsuitable for large scale computer networks characterised by high levels of false positive alerts and simultaneously occurring attacks. To address these limitations, we propose AlertBERT, a self-supervised framework designed to group alerts from isolated or concurrent attacks in noisy environments. Thereby, our open-source implementation of AlertBERT leverages masked-language-models and density-based clustering to support both real-time or forensic operation. To evaluate our framework, we further introduce a novel data augmentation method that enables flexible control over noise levels and simulates concurrent attack occurrences. Based on the data sets generated through this method, we demonstrate that AlertBERT consistently outperforms conventional time-based grouping techniques, achieving superior accuracy in identifying correct alert groups.
Authors: Zhiyu Zhang, Aaditya Ramdas
Abstract: Adversarial online linear optimization (OLO) is essentially about making performance tradeoffs with respect to the unknown difficulty of the adversary. In the setting of one-dimensional fixed-time OLO on a bounded domain, it has been observed since Cover (1966) that achievable tradeoffs are governed by probabilistic inequalities, and these descriptive results can be converted into algorithms via dynamic programming, which, however, is not computationally efficient. We address this limitation by showing that Stein's method, a classical framework underlying the proofs of probabilistic limit theorems, can be operationalized as computationally efficient OLO algorithms. The associated regret and total loss upper bounds are "additively sharp", meaning that they surpass the conventional big-O optimality and match normal-approximation-based lower bounds by additive lower order terms. Our construction is inspired by the remarkably clean proof of a Wasserstein martingale central limit theorem (CLT) due to R\"ollin (2018). Several concrete benefits can be obtained from this general technique. First, with the same computational complexity, the proposed algorithm improves upon the total loss upper bounds of online gradient descent (OGD) and multiplicative weight update (MWU). Second, our algorithm can realize a continuum of optimal two-point tradeoffs between the total loss and the maximum regret over comparators, improving upon prior works in parameter-free online learning. Third, by allowing the adversary to randomize on an unbounded support, we achieve sharp in-expectation performance guarantees for OLO with noisy feedback.
Authors: Mingxi Xu, Qi Wang, Zhengyu Wen, Phong Dao Thien, Zhengyu Li, Ning Zhang, Xiaoyu He, Wei Zhao, Kehong Gong, Mingyuan Zhang
Abstract: Motion tokenization is a key component of generalizable motion models, yet most existing approaches are restricted to species-specific skeletons, limiting their applicability across diverse morphologies. We propose NECromancer (NEC), a universal motion tokenizer that operates directly on arbitrary BVH skeletons. NEC consists of three components: (1) an Ontology-aware Skeletal Graph Encoder (OwO) that encodes structural priors from BVH files, including joint semantics, rest-pose offsets, and skeletal topology, into skeletal embeddings; (2) a Topology-Agnostic Tokenizer (TAT) that compresses motion sequences into a universal, topology-invariant discrete representation; and (3) the Unified BVH Universe (UvU), a large-scale dataset aggregating BVH motions across heterogeneous skeletons. Experiments show that NEC achieves high-fidelity reconstruction under substantial compression and effectively disentangles motion from skeletal structure. The resulting token space supports cross-species motion transfer, composition, denoising, generation with token-based models, and text-motion retrieval, establishing a unified framework for motion analysis and synthesis across diverse morphologies. Demo page: https://animotionlab.github.io/NECromancer/
Authors: Gergely B\'erczi
Abstract: Resolution of singularities in positive characteristic remains a long-standing open problem in algebraic geometry. In characteristic zero, the problem was solved by Hironaka in 1964, work for which he was awarded the Fields Medal. Modern proofs proceed by constructing suitable ranking functions, that is, invariants shown to strictly decrease along canonical sequences of blow-ups, ensuring termination. In positive characteristic, however, no such general ranking function is known: Frobenius-specific pathologies, such as the kangaroo phenomenon, can cause classical characteristic-zero invariants to plateau or even temporarily increase, presenting a fundamental obstruction to existing approaches. In this paper we report a sequence of experiments using the evolutionary search model AlphaEvolve, designed to discover candidate ranking functions for a toy canonical blow-up process. Our test benchmarks consist of carefully selected hypersurface singularities in dimension $4$ and characteristic $p=3$, with monic purely inseparable leading term, a regime in which naive order-based invariants often fail. After iteratively refining the experimental design, we obtained a discretized five-component lexicographic ranking function satisfying a bounded-delay descent criterion with zero violations across the benchmark. These experiments in turn motivated our main results: the conjectural delayed ranking functions in characteristic $3$ formulated in two conjectures.
Authors: Lanpei Li, Massimo Coppola, Malio Li, Valerio Besozzi, Jack Bell, Vincenzo Lomonaco
Abstract: We present a framework for dynamic management of structured parallel processing skeletons on serverless platforms. Our goal is to bring HPC-like performance and resilience to serverless and continuum environments while preserving the programmability benefits of skeletons. As a first step, we focus on the well known Farm pattern and its implementation on the open-source OpenFaaS platform, treating autoscaling of the worker pool as a QoS-aware resource management problem. The framework couples a reusable farm template with a Gymnasium-based monitoring and control layer that exposes queue, timing, and QoS metrics to both reactive and learning-based controllers. We investigate the effectiveness of AI-driven dynamic scaling for managing the farm's degree of parallelism via the scalability of serverless functions on OpenFaaS. In particular, we discuss the autoscaling model and its training, and evaluate two reinforcement learning (RL) policies against a baseline of reactive management derived from a simple farm performance model. Our results show that AI-based management can better accommodate platform-specific limitations than purely model-based performance steering, improving QoS while maintaining efficient resource usage and stable scaling behaviour.
Authors: Deqian Kong, Minglu Zhao, Aoyang Qin, Bo Pang, Chenxin Tao, David Hartmann, Edouardo Honig, Dehong Xu, Amit Kumar, Matt Sarte, Chuan Li, Jianwen Xie, Ying Nian Wu
Abstract: Standard chain-of-thought reasoning generates a solution in a single forward pass, committing irrevocably to each token and lacking a mechanism to recover from early errors. We introduce Inference-Time Rethinking, a generative framework that enables iterative self-correction by decoupling declarative latent thought vectors from procedural generation. We factorize reasoning into a continuous latent thought vector (what to reason about) and a decoder that verbalizes the trace conditioned on this vector (how to reason). Beyond serving as a declarative buffer, latent thought vectors compress the reasoning structure into a continuous representation that abstracts away surface-level token variability, making gradient-based optimization over reasoning strategies well-posed. Our prior model maps unstructured noise to a learned manifold of valid reasoning patterns, and at test time we employ a Gibbs-style procedure that alternates between generating a candidate trace and optimizing the latent vector to better explain that trace, effectively navigating the latent manifold to refine the reasoning strategy. Training a 0.2B-parameter model from scratch on GSM8K, our method with 30 rethinking iterations surpasses baselines with 10 to 15 times more parameters, including a 3B counterpart. This result demonstrates that effective mathematical reasoning can emerge from sophisticated inference-time computation rather than solely from massive parameter counts.
Authors: Ariyan Bighashdel, Thiago D. Sim\~ao, Frans A. Oliehoek
Abstract: Multi-agent reinforcement learning (MARL) offers a scalable alternative to exact game-theoretic analysis but suffers from non-stationarity and the need to maintain diverse populations of strategies that capture non-transitive interactions. Policy Space Response Oracles (PSRO) address these issues by iteratively expanding a restricted game with approximate best responses (BRs), yet per-agent BR training makes it prohibitively expensive in many-agent or simulator-expensive settings. We introduce Joint Experience Best Response (JBR), a drop-in modification to PSRO that collects trajectories once under the current meta-strategy profile and reuses this joint dataset to compute BRs for all agents simultaneously. This amortizes environment interaction and improves the sample efficiency of best-response computation. Because JBR converts BR computation into an offline RL problem, we propose three remedies for distribution-shift bias: (i) Conservative JBR with safe policy improvement, (ii) Exploration-Augmented JBR that perturbs data collection and admits theoretical guarantees, and (iii) Hybrid BR that interleaves JBR with periodic independent BR updates. Across benchmark multi-agent environments, Exploration-Augmented JBR achieves the best accuracy-efficiency trade-off, while Hybrid BR attains near-PSRO performance at a fraction of the sample cost. Overall, JBR makes PSRO substantially more practical for large-scale strategic learning while preserving equilibrium robustness.
Authors: Yuancheng Wang, Zhenyu Tang, Yun Wang, Arthur Hinsvark, Yingru Liu, Yinghao Li, Kainan Peng, Junyi Ao, Mingbo Ma, Mike Seltzer, Qing He, Xubo Liu
Abstract: Speech tokenizers are foundational to speech language models, yet existing approaches face two major challenges: (1) balancing trade-offs between encoding semantics for understanding and acoustics for reconstruction, and (2) achieving low bit rates and low token rates. We propose Speech Diffusion Tokenizer (SiTok), a diffusion autoencoder that jointly learns semantic-rich representations through supervised learning and enables high-fidelity audio reconstruction with diffusion. We scale SiTok to 1.6B parameters and train it on 2 million hours of speech. Experiments show that SiTok outperforms strong baselines on understanding, reconstruction and generation tasks, at an extremely low token rate of $12.5$ Hz and a bit-rate of 200 bits-per-second.
Authors: Adam Wr\'obel, Siddhartha Gairola, Jacek Tabor, Bernt Schiele, Bartosz Zieli\'nski, Dawid Rymarczyk
Abstract: Vision Transformers (ViTs) have become a dominant architecture in computer vision, yet producing stable and high-resolution attribution maps for these models remains challenging. Architectural components such as patch embeddings and attention routing often introduce structured artifacts in pixel-level explanations, causing many existing methods to rely on coarse patch-level attributions. We introduce DAVE \textit{(\underline{D}istribution-aware \underline{A}ttribution via \underline{V}iT Gradient D\underline{E}composition)}, a mathematically grounded attribution method for ViTs based on a structured decomposition of the input gradient. By exploiting architectural properties of ViTs, DAVE isolates locally equivariant and stable components of the effective input--output mapping. It separates these from architecture-induced artifacts and other sources of instability.
Authors: Haoyang Hu, Zhejun Jiang, Yueming Lyu, Junyuan Zhang, Yi Liu, Ka-Ho Chow
Abstract: Retrieval-augmented generation (RAG) is increasingly deployed in real-world applications, where its reference-grounded design makes outputs appear trustworthy. This trust has spurred research on poisoning attacks that craft malicious content, inject it into knowledge sources, and manipulate RAG responses. However, when evaluated in practical RAG systems, existing attacks suffer from severely degraded effectiveness. This gap stems from two overlooked realities: (i) content is often processed before use, which can fragment the poison and weaken its effect, and (ii) users often do not issue the exact queries anticipated during attack design. These factors can lead practitioners to underestimate risks and develop a false sense of security. To better characterize the threat to practical systems, we present Confundo, a learning-to-poison framework that fine-tunes a large language model as a poison generator to achieve high effectiveness, robustness, and stealthiness. Confundo provides a unified framework supporting multiple attack objectives, demonstrated by manipulating factual correctness, inducing biased opinions, and triggering hallucinations. By addressing these overlooked challenges, Confundo consistently outperforms a wide range of purpose-built attacks across datasets and RAG configurations by large margins, even in the presence of defenses. Beyond exposing vulnerabilities, we also present a defensive use case that protects web content from unauthorized incorporation into RAG systems via scraping, with no impact on user experience.
Authors: Thorben Pieper-Sethmacher, Daniel Paulin
Abstract: This paper introduces a rigorous framework for defining generative diffusion models in infinite dimensions via Doob's h-transform. Rather than relying on time reversal of a noising process, a reference diffusion is forced towards the target distribution by an exponential change of measure. Compared to existing methodology, this approach readily generalises to the infinite-dimensional setting, hence offering greater flexibility in the diffusion model. The construction is derived rigorously under verifiable conditions, and bounds with respect to the target measure are established. We show that the forced process under the changed measure can be approximated by minimising a score-matching objective and validate our method on both synthetic and real data.
Authors: Ruiqian Nai, Boyuan Zheng, Junming Zhao, Haodong Zhu, Sicong Dai, Zunhao Chen, Yihang Hu, Yingdong Hu, Tong Zhang, Chuan Wen, Yang Gao
Abstract: Current approaches for humanoid whole-body manipulation, primarily relying on teleoperation or visual sim-to-real reinforcement learning, are hindered by hardware logistics and complex reward engineering. Consequently, demonstrated autonomous skills remain limited and are typically restricted to controlled environments. In this paper, we present the Humanoid Manipulation Interface (HuMI), a portable and efficient framework for learning diverse whole-body manipulation tasks across various environments. HuMI enables robot-free data collection by capturing rich whole-body motion using portable hardware. This data drives a hierarchical learning pipeline that translates human motions into dexterous and feasible humanoid skills. Extensive experiments across five whole-body tasks--including kneeling, squatting, tossing, walking, and bimanual manipulation--demonstrate that HuMI achieves a 3x increase in data collection efficiency compared to teleoperation and attains a 70% success rate in unseen environments.
Authors: Yonghao Si, Xingyuan Zeng, Zhao Chen, Libin Zheng, Caleb Chen Cao, Lei Chen, Jian Yin
Abstract: High-quality annotated datasets are crucial for advancing machine learning in medical image analysis. However, a critical gap exists: most datasets either offer a single, clean ground truth, which hides real-world expert disagreement, or they provide multiple annotations without a separate gold standard for objective evaluation. To bridge this gap, we introduce CytoCrowd, a new public benchmark for cytology analysis. The dataset features 446 high-resolution images, each with two key components: (1) raw, conflicting annotations from four independent pathologists, and (2) a separate, high-quality gold-standard ground truth established by a senior expert. This dual structure makes CytoCrowd a versatile resource. It serves as a benchmark for standard computer vision tasks, such as object detection and classification, using the ground truth. Simultaneously, it provides a realistic testbed for evaluating annotation aggregation algorithms that must resolve expert disagreements. We provide comprehensive baseline results for both tasks. Our experiments demonstrate the challenges presented by CytoCrowd and establish its value as a resource for developing the next generation of models for medical image analysis.
Authors: Robert Ganian, Fionn Mc Inerney, Dimitra Tsigkari
Abstract: Split learning recently emerged as a solution for distributed machine learning with heterogeneous IoT devices, where clients can offload part of their training to computationally-powerful helpers. The core challenge in split learning is to minimize the training time by jointly devising the client-helper assignment and the schedule of tasks at the helpers. We first study the model where each helper has a memory cardinality constraint on how many clients it may be assigned, which represents the case of homogeneous tasks. Through complexity theory, we rule out exact polynomial-time algorithms and approximation schemes even for highly restricted instances of this problem. We complement these negative results with a non-trivial polynomial-time 5-approximation algorithm. Building on this, we then focus on the more general heterogeneous task setting considered by Tirana et al. [INFOCOM 2024], where helpers have memory capacity constraints and clients have variable memory costs. In this case, we prove that, unless P=NP, the problem cannot admit a polynomial-time approximation algorithm for any approximation factor. However, by adapting our aforementioned 5-approximation algorithm, we develop a novel heuristic for the heterogeneous task setting and show that it outperforms heuristics from prior works through extensive experiments.
Authors: Alessio Pecilli, Matteo Rosati
Abstract: We propose a variational quantum implementation of self-attention (QSA), the core operation in transformers and large language models, which predicts future elements of a sequence by forming overlap-weighted combinations of past data. At variance with previous approaches, our QSA realizes the required nonlinearity through interference of state overlaps and returns a Renyi-1/2 cross-entropy loss directly as the expectation value of an observable, avoiding the need to decode amplitude-encoded predictions into classical logits. Furthermore, QSA naturally accommodates a constrained, trainable data-embedding that ties quantum state overlaps to data-level similarities. We find a gate complexity dominant scaling O(T d^2) for QSA, versus O(T^2 d) classically, suggesting an advantage in the practical regime where the sequence length T dominates the embedding size d. In simulations, we show that our QSA-based quantum transformer learns sequence prediction on classical data and on many-body transverse-field Ising quantum trajectories, establishing trainable attention as a practical primitive for quantum dynamical modeling.
Authors: Ying Song, Balaji Palanisamy
Abstract: Graph-structured data underpin a wide spectrum of modern applications. However, complex graph topologies and homophilic patterns can facilitate attribute inference attacks (AIAs) by enabling sensitive information leakage to propagate across local neighborhoods. Existing AIAs predominantly assume that adversaries can probe sensitive attributes through repeated model queries. Such assumptions are often impractical in real-world settings due to stringent data protection regulations, prohibitive query budgets, and heightened detection risks, especially when inferring multiple sensitive attributes. More critically, this model-centric perspective obscures a pervasive blind spot: \textbf{intrinsic multiple sensitive information leakage arising solely from publicly released graphs.} To exploit this unexplored vulnerability, we introduce a new attack paradigm and propose \textbf{Taipan, the first query-free transfer-based attack framework for multiple sensitive attribute inference attacks on graphs (G-MSAIAs).} Taipan integrates \emph{Hierarchical Attack Knowledge Routing} to capture intricate inter-attribute correlations, and \emph{Prompt-guided Attack Prototype Refinement} to mitigate negative transfer and performance degradation. We further present a systematic evaluation framework tailored to G-MSAIAs. Extensive experiments on diverse real-world graph datasets demonstrate that Taipan consistently achieves strong attack performance across same-distribution settings and heterogeneous similar- and out-of-distribution settings with mismatched feature dimensionalities, and remains effective even under rigorous differential privacy guarantees. Our findings underscore the urgent need for more robust multi-attribute privacy-preserving graph publishing methods and data-sharing practices.
Authors: Luke Shannon, Song Liu, Katarzyna Reluga
Abstract: Accurate imputation of missing data is critical to downstream machine learning performance. We formulate missing data imputation as a risk minimisation problem, which highlights a covariate shift between the observed and unobserved data distributions. This covariate shift induced bias is not accounted for by popular imputation methods and leads to suboptimal performance. In this paper, we derive theoretically valid importance weights that correct for the induced distributional bias. Furthermore, we propose a novel imputation algorithm that jointly estimates both the importance weights and imputation models, enabling bias correction throughout the imputation process. Empirical results across benchmark datasets show reductions in root mean squared error and Wasserstein distance of up to 7% and 20%, respectively, compared to otherwise identical unweighted methods.
Authors: Alessandro Abate, Giuseppe De Giacomo, Mathias Jackermeier, Jan Kret\'insk\'y, Maximilian Prokop, Christoph Weinhuber
Abstract: We study multi-task reinforcement learning (RL), a setting in which an agent learns a single, universal policy capable of generalising to arbitrary, possibly unseen tasks. We consider tasks specified as linear temporal logic (LTL) formulae, which are commonly used in formal methods to specify properties of systems, and have recently been successfully adopted in RL. In this setting, we present a novel task embedding technique leveraging a new generation of semantic LTL-to-automata translations, originally developed for temporal synthesis. The resulting semantically labelled automata contain rich, structured information in each state that allow us to (i) compute the automaton efficiently on-the-fly, (ii) extract expressive task embeddings used to condition the policy, and (iii) naturally support full LTL. Experimental results in a variety of domains demonstrate that our approach achieves state-of-the-art performance and is able to scale to complex specifications where existing methods fail.
Authors: Thibaud Gloaguen, Robin Staab, Nikola Jovanovi\'c, Martin Vechev
Abstract: LLM watermarks allow tracing AI-generated texts by inserting a detectable signal into their generated content. Recent works have proposed a wide range of watermarking algorithms, each with distinct designs, usually built using a bottom-up approach. Crucially, there is no general and principled formulation for LLM watermarking. In this work, we show that most existing and widely used watermarking schemes can in fact be derived from a principled constrained optimization problem. Our formulation unifies existing watermarking methods and explicitly reveals the constraints that each method optimizes. In particular, it highlights an understudied quality-diversity-power trade-off. At the same time, our framework also provides a principled approach for designing novel watermarking schemes tailored to specific requirements. For instance, it allows us to directly use perplexity as a proxy for quality, and derive new schemes that are optimal with respect to this constraint. Our experimental evaluation validates our framework: watermarking schemes derived from a given constraint consistently maximize detection power with respect to that constraint.
Authors: Haris Aziz, Ling Gai, Yuhang Guo, Jeremy Vollen
Abstract: We study the transit stop placement (TrSP) problem in general metric spaces, where agents travel between source-destination pairs and may either walk directly or utilize a shuttle service via selected transit stops. We investigate fairness in TrSP through the lens of justified representation (JR) and the core, and uncover a structural correspondence with fair clustering. Specifically, we show that a constant-factor approximation to proportional fairness in clustering can be used to guarantee a constant-factor biparameterized approximation to core. We establish a lower bound of 1.366 on the approximability of JR, and moreover show that no clustering algorithm can approximate JR within a factor better than 3. Going beyond clustering, we propose the Expanding Cost Algorithm, which achieves a tight 2.414-approximation for JR, but does not give any bounded core guarantee. In light of this, we introduce a parameterized algorithm that interpolates between these approaches, and enables a tunable trade-off between JR and core. Finally, we complement our results with an experimental analysis using small-market public carpooling data.
Authors: Joao Baptista Cardia Neto, Claudio Ferrari, Stefano Berretti
Abstract: Facial emotion recognition has been typically cast as a single-label classification problem of one out of six prototypical emotions. However, that is an oversimplification that is unsuitable for representing the multifaceted spectrum of spontaneous emotional states, which are most often the result of a combination of multiple emotions contributing at different intensities. Building on this, a promising direction that was explored recently is to cast emotion recognition as a distribution learning problem. Still, such approaches are limited in that research datasets are typically annotated with a single emotion class. In this paper, we contribute a novel approach to describe complex emotional states as probability distributions over a set of emotion classes. To do so, we propose a solution to automatically re-label existing datasets by exploiting the result of a study in which a large set of both basic and compound emotions is mapped to probability distributions in the Valence-Arousal-Dominance (VAD) space. In this way, given a face image annotated with VAD values, we can estimate the likelihood of it belonging to each of the distributions, so that emotional states can be described as a mixture of emotions, enriching their description, while also accounting for the ambiguous nature of their perception. In a preliminary set of experiments, we illustrate the advantages of this solution and a new possible direction of investigation. Data annotations are available at https://github.com/jbcnrlz/affectnet-b-annotation.
Authors: Binghui Li, Zilin Wang, Fengling Chen, Shiyang Zhao, Ruiheng Zheng, Lei Wu
Abstract: We study optimal learning-rate schedules (LRSs) under the functional scaling law (FSL) framework introduced in Li et al. (2025), which accurately models the loss dynamics of both linear regression and large language model (LLM) pre-training. Within FSL, loss dynamics are governed by two exponents: a source exponent $s>0$ controlling the rate of signal learning, and a capacity exponent $\beta>1$ determining the rate of noise forgetting. Focusing on a fixed training horizon $N$, we derive the optimal LRSs and reveal a sharp phase transition. In the easy-task regime $s \ge 1 - 1/\beta$, the optimal schedule follows a power decay to zero, $\eta^*(z) = \eta_{\mathrm{peak}}(1 - z/N)^{2\beta - 1}$, where the peak learning rate scales as $\eta_{\mathrm{peak}} \eqsim N^{-\nu}$ for an explicit exponent $\nu = \nu(s,\beta)$. In contrast, in the hard-task regime $s < 1 - 1/\beta$, the optimal LRS exhibits a warmup-stable-decay (WSD) (Hu et al. (2024)) structure: it maintains the largest admissible learning rate for most of training and decays only near the end, with the decay phase occupying a vanishing fraction of the horizon. We further analyze optimal shape-fixed schedules, where only the peak learning rate is tuned -- a strategy widely adopted in practiceand characterize their strengths and intrinsic limitations. This yields a principled evaluation of commonly used schedules such as cosine and linear decay. Finally, we apply the power-decay LRS to one-pass stochastic gradient descent (SGD) for kernel regression and show the last iterate attains the exact minimax-optimal rate, eliminating the logarithmic suboptimality present in prior analyses. Numerical experiments corroborate our theoretical predictions.
Authors: Silpa Vadakkeeveetil Sreelatha, Dan Wang, Serge Belongie, Muhammad Awais, Anjan Dutta
Abstract: Text-to-image diffusion models achieve impressive generation quality but inherit and amplify training-data biases, skewing coverage of semantic attributes. Prior work addresses this in two ways. Closed-set approaches mitigate biases in predefined fairness categories (e.g., gender, race), assuming socially salient minority attributes are known a priori. Open-set approaches frame the task as bias identification, highlighting majority attributes that dominate outputs. Both overlook a complementary task: uncovering rare or minority features underrepresented in the data distribution (social, cultural, or stylistic) yet still encoded in model representations. We introduce RAIGen, the first framework, to our knowledge, for un-supervised rare-attribute discovery in diffusion models. RAIGen leverages Matryoshka Sparse Autoencoders and a novel minority metric combining neuron activation frequency with semantic distinctiveness to identify interpretable neurons whose top-activating images reveal underrepresented attributes. Experiments show RAIGen discovers attributes beyond fixed fairness categories in Stable Diffusion, scales to larger models such as SDXL, supports systematic auditing across architectures, and enables targeted amplification of rare attributes during generation.
Authors: Keonyoung Koh, Moonkyeong Jung, Samuel Seungsup Lee, Daehyung Park
Abstract: We address the over-constrained planning problem in semi-static environments. The planning objective is to find a best-effort solution that avoids all hard constraint regions while minimally traversing the least risky areas. Conventional methods often rely on pre-defined area costs, limiting generalizations. Further, the spatial continuity of navigation spaces makes it difficult to identify regions that are passable without overestimation. To overcome these challenges, we propose SuReNav, a superpixel graph-based constraint relaxation and navigation method that imitates human-like safe and efficient navigation. Our framework consists of three components: 1) superpixel graph map generation with regional constraints, 2) regional-constraint relaxation using graph neural network trained on human demonstrations for safe and efficient navigation, and 3) interleaving relaxation, planning, and execution for complete navigation. We evaluate our method against state-of-the-art baselines on 2D semantic maps and 3D maps from OpenStreetMap, achieving the highest human-likeness score of complete navigation while maintaining a balanced trade-off between efficiency and safety. We finally demonstrate its scalability and generalization performance in real-world urban navigation with a quadruped robot, Spot.
Authors: El Mahdi Chayti
Abstract: Momentum methods, such as Polyak's Heavy Ball, are the standard for training deep networks but suffer from curvature-induced bias in stochastic settings, limiting convergence to suboptimal $\mathcal{O}(\epsilon^{-4})$ rates. Existing corrections typically require expensive auxiliary sampling or restrictive smoothness assumptions. We propose \textbf{RanSOM}, a unified framework that eliminates this bias by replacing deterministic step sizes with randomized steps drawn from distributions with mean $\eta_t$. This modification allows us to leverage Stein-type identities to compute an exact, unbiased estimate of the momentum bias using a single Hessian-vector product computed jointly with the gradient, avoiding auxiliary queries. We instantiate this framework in two algorithms: \textbf{RanSOM-E} for unconstrained optimization (using exponentially distributed steps) and \textbf{RanSOM-B} for constrained optimization (using beta-distributed steps to strictly preserve feasibility). Theoretical analysis confirms that RanSOM recovers the optimal $\mathcal{O}(\epsilon^{-3})$ convergence rate under standard bounded noise, and achieves optimal rates for heavy-tailed noise settings ($p \in (1, 2]$) without requiring gradient clipping.
Authors: Yuhan Wu, Jan Willem van Beek, Victorita Dolean, Alexander Heinlein
Abstract: Deep learning-based hybrid iterative methods (DL-HIMs) integrate classical numerical solvers with neural operators, utilizing their complementary spectral biases to accelerate convergence. Despite this promise, many DL-HIMs stagnate at false fixed points where neural updates vanish while the physical residual remains large, raising questions about reliability in scientific computing. In this paper, we provide evidence that performance is highly sensitive to training paradigms and update strategies, even when the neural architecture is fixed. Through a detailed study of a DeepONet-based hybrid iterative numerical transferable solver (HINTS) and an FFT-based Fourier neural solver (FNS), we show that significant physical residuals can persist when training objectives are not aligned with solver dynamics and problem physics. We further examine Anderson acceleration (AA) and demonstrate that its classical form is ill-suited for nonlinear neural operators. To overcome this, we introduce physics-aware Anderson acceleration (PA-AA), which minimizes the physical residual rather than the fixed-point update. Numerical experiments confirm that PA-AA restores reliable convergence in substantially fewer iterations. These findings provide a concrete answer to ongoing controversies surrounding AI-based PDE solvers: reliability hinges not only on architectures but on physically informed training and iteration design.
Authors: Yining Lu, Meng Jiang
Abstract: We study a persistent failure mode in multi-objective alignment for large language models (LLMs): training improves performance on only a subset of objectives while causing others to degrade. We formalize this phenomenon as cross-objective interference and conduct the first systematic study across classic scalarization algorithms, showing that interference is pervasive and exhibits strong model dependence. To explain this phenomenon, we derive a local covariance law showing that an objective improves at first order when its reward exhibits positive covariance with the scalarized score. We extend this analysis to clipped surrogate objectives used in modern alignment, demonstrating that the covariance law remains valid under mild conditions despite clipping. Building on this analysis, we propose Covariance Targeted Weight Adaptation (CTWA), a plug-and-play method that maintains positive covariance between objective rewards and the training signal to effectively mitigate cross-objective interference. Finally, we complement these local improvement conditions with a global convergence analysis under the Polyak--\L{}ojasiewicz condition, establishing when non-convex scalarized optimization achieves global convergence and how cross-objective interference depends on specific model geometric properties.
Authors: Sumit Kumar, Suraj Jaiswal, Parampreet Singh, Vipul Arora
Abstract: The advancement of machine learning in audio analysis has opened new possibilities for technology-enhanced music education. This paper introduces a framework for automatic singing mistake detection in the context of music pedagogy, supported by a newly curated dataset. The dataset comprises synchronized teacher learner vocal recordings, with annotations marking different types of mistakes made by learners. Using this dataset, we develop different deep learning models for mistake detection and benchmark them. To compare the efficacy of mistake detection systems, a new evaluation methodology is proposed. Experiments indicate that the proposed learning-based methods are superior to rule-based methods. A systematic study of errors and a cross-teacher study reveal insights into music pedagogy that can be utilised for various music applications. This work sets out new directions of research in music pedagogy. The codes and dataset are publicly available.
Authors: Hugo Seut\'e, Pranai Vasudev, Etienne Richan, Louis-Xavier Buffoni
Abstract: Realistic sound propagation is essential for immersion in a virtual scene, yet physically accurate wave-based simulations remain computationally prohibitive for real-time applications. Wave coding methods address this limitation by precomputing and compressing impulse responses of a given scene into a set of scalar acoustic parameters, which can reach unmanageable sizes in large environments with many source-receiver pairs. We introduce Reciprocal Latent Fields (RLF), a memory-efficient framework for encoding and predicting these acoustic parameters. The RLF framework employs a volumetric grid of trainable latent embeddings decoded with a symmetric function, ensuring acoustic reciprocity. We study a variety of decoders and show that leveraging Riemannian metric learning leads to a better reproduction of acoustic phenomena in complex scenes. Experimental validation demonstrates that RLF maintains replication quality while reducing the memory footprint by several orders of magnitude. Furthermore, a MUSHRA-like subjective listening test indicates that sound rendered via RLF is perceptually indistinguishable from ground-truth simulations.
Authors: Julia Werner, Julius Oexle, Oliver Bause, Maxime Le Floch, Franz Brinkmann, Hannah Tolle, Jochen Hampe, Oliver Bringmann
Abstract: The classification performance of deep neural networks relies strongly on access to large, accurately annotated datasets. In medical imaging, however, obtaining such datasets is particularly challenging since annotations must be provided by specialized physicians, which severely limits the pool of annotators. Furthermore, class boundaries can often be ambiguous or difficult to define which further complicates machine learning-based classification. In this paper, we want to address this problem and introduce a framework for mislabel detection in medical datasets. This is validated on the two largest, publicly available datasets for Video Capsule Endoscopy, an important imaging procedure for examining the gastrointestinal tract based on a video stream of lowresolution images. In addition, potentially mislabeled samples identified by our pipeline were reviewed and re-annotated by three experienced gastroenterologists. Our results show that the proposed framework successfully detects incorrectly labeled data and results in an improved anomaly detection performance after cleaning the datasets compared to current baselines.
Authors: Saber Omidi, Rene Akupan Ebunle, Se Young Yoon
Abstract: This paper presents the design and implementation of data-driven optimal derivative feedback controllers for an active magnetic levitation system. A direct, model-free control design method based on the reinforcement learning framework is compared with an indirect optimal control design derived from a numerically identified mathematical model of the system. For the direct model-free approach, a policy iteration procedure is proposed, which adds an iteration layer called the epoch loop to gather multiple sets of process data, providing a more diverse dataset and helping reduce learning biases. This direct control design method is evaluated against a comparable optimal control solution designed from a plant model obtained through the combined Dynamic Mode Decomposition with Control (DMDc) and Prediction Error Minimization (PEM) system identification. Results show that while both controllers can stabilize and improve the performance of the magnetic levitation system when compared to controllers designed from a nominal model, the direct model-free approach consistently outperforms the indirect solution when multiple epochs are allowed. The iterative refinement of the optimal control law over the epoch loop provides the direct approach a clear advantage over the indirect method, which relies on a single set of system data to determine the identified model and control.
Authors: Jean Kaddour, Srijan Patel, Gb\`etondji Dovonon, Leo Richter, Pasquale Minervini, Matt J. Kusner
Abstract: Can AI agents predict whether they will succeed at a task? We study agentic uncertainty by eliciting success probability estimates before, during, and after task execution. All results exhibit agentic overconfidence: some agents that succeed only 22% of the time predict 77% success. Counterintuitively, pre-execution assessment with strictly less information tends to yield better discrimination than standard post-execution review, though differences are not always significant. Adversarial prompting reframing assessment as bug-finding achieves the best calibration.
Authors: Shenyuan Gao, William Liang, Kaiyuan Zheng, Ayaan Malik, Seonghyeon Ye, Sihyun Yu, Wei-Cheng Tseng, Yuzhu Dong, Kaichun Mo, Chen-Hsuan Lin, Qianli Ma, Seungjun Nah, Loic Magne, Jiannan Xiang, Yuqi Xie, Ruijie Zheng, Dantong Niu, You Liang Tan, K. R. Zentner, George Kurian, Suneel Indupuru, Pooya Jannaty, Jinwei Gu, Jun Zhang, Jitendra Malik, Pieter Abbeel, Ming-Yu Liu, Yuke Zhu, Joel Jang, Linxi "Jim" Fan
Abstract: Being able to simulate the outcomes of actions in varied environments will revolutionize the development of generalist agents at scale. However, modeling these world dynamics, especially for dexterous robotics tasks, poses significant challenges due to limited data coverage and scarce action labels. As an endeavor towards this end, we introduce DreamDojo, a foundation world model that learns diverse interactions and dexterous controls from 44k hours of egocentric human videos. Our data mixture represents the largest video dataset to date for world model pretraining, spanning a wide range of daily scenarios with diverse objects and skills. To address the scarcity of action labels, we introduce continuous latent actions as unified proxy actions, enhancing interaction knowledge transfer from unlabeled videos. After post-training on small-scale target robot data, DreamDojo demonstrates a strong understanding of physics and precise action controllability. We also devise a distillation pipeline that accelerates DreamDojo to a real-time speed of 10.81 FPS and further improves context consistency. Our work enables several important applications based on generative world models, including live teleoperation, policy evaluation, and model-based planning. Systematic evaluation on multiple challenging out-of-distribution (OOD) benchmarks verifies the significance of our method for simulating open-world, contact-rich tasks, paving the way for general-purpose robot world models.
Authors: Pedro Valdeira, Yuejie Chi, Cl\'audia Soares, Jo\~ao Xavier
Abstract: Most federated learning (FL) methods use a client-server scheme, where clients communicate only with a central server. However, this scheme is prone to bandwidth bottlenecks at the server and has a single point of failure. In contrast, in a (fully) decentralized approach, clients communicate directly with each other, dispensing with the server and mitigating these issues. Yet, as the client network grows larger and sparser, the convergence of decentralized methods slows down, even failing to converge if the network is disconnected. This work addresses this gap between client-server and decentralized schemes, focusing on the vertical FL setup, where clients hold different features of the same samples. We propose multi-token coordinate descent (MTCD), a flexible semi-decentralized method for vertical FL that can exploit both client-server and client-client links. By selecting appropriate hyperparameters, MTCD recovers the client-sever and decentralized schemes as special cases. In fact, its decentralized instance is itself a novel method of independent interest. Yet, by controlling the degree of dependency on client-server links, MTCD can also explore a spectrum of schemes ranging from client-server to decentralized. We prove that, for sufficiently large batch sizes, MTCD converges at an $\mathcal{O}(1/T)$ rate for nonconvex objectives when the tokens roam across disjoint subsets of clients. To capture the aforementioned drawbacks of the client-server scheme succinctly, we model the relative impact of using client-server versus client-client links as the ratio of their "costs", which depends on the application. This allows us to demonstrate, both analytically and empirically, that by tuning the degree of dependency on the server, the semi-decentralized instances of MTCD can outperform both client-server and decentralized approaches across a range of applications.
Authors: Alexander M\"arz, Kashif Rasul
Abstract: We introduce Hyper-Trees as a novel framework for modeling time series data using gradient boosted trees. Unlike conventional tree-based approaches that forecast time series directly, Hyper-Trees learn the parameters of a target time series model, such as ARIMA or Exponential Smoothing, as functions of features. These parameters are then used by the target model to generate the final forecasts. Our framework combines the effectiveness of decision trees on tabular data with classical forecasting models, thereby inducing a time series inductive bias into tree-based models. To resolve the scaling limitations of boosted trees when estimating a high-dimensional set of target model parameters, we combine decision trees and neural networks within a unified framework. In this hybrid approach, the trees generate informative representations from the input features, which a shallow network then uses as input to learn the parameters of a time series model. With our research, we explore the effectiveness of Hyper-Trees across a range of forecasting tasks and extend tree-based modeling beyond its conventional use in time series analysis.
Authors: Menglin Yang, Ram Samarth B B, Aosong Feng, Bo Xiong, Jihong Liu, Irwin King, Rex Ying
Abstract: Large language models (LLMs) have demonstrated remarkable performance across various tasks. However, it remains an open question whether the default Euclidean space is the most suitable choice for LLMs. In this study, we investigate the geometric characteristics of LLMs, focusing specifically on tokens and their embeddings. Our findings reveal that token frequency follows a power-law distribution, where high-frequency tokens (e.g., the, that ) constitute the minority, while low-frequency tokens (e.g., apple, dog) constitute the majority. Furthermore, high-frequency tokens cluster near the origin, whereas low-frequency tokens are positioned farther away in the embedding space. Additionally, token embeddings exhibit hyperbolic characteristics, indicating a latent tree-like structure within the embedding space. Motivated by these observations, we propose HypLoRA, an efficient fine-tuning approach that operates in hyperbolic space to exploit these underlying hierarchical structures better. HypLoRA performs low-rank adaptation directly in hyperbolic space, thereby preserving hyperbolic modeling capabilities throughout the fine-tuning process. Extensive experiments across various base models and reasoning benchmarks, specifically arithmetic and commonsense reasoning tasks, demonstrate that HypLoRA substantially improves LLM performance.
Authors: Hong Ye Tan, Emma Slade
Abstract: Dataset distillation aims to find a synthetic training set such that training on the synthetic data achieves similar performance to training on real data, with orders of magnitude less computational requirements. Existing methods can be broadly categorized as either bi-level optimization problems that have neural network training heuristics as the lower level problem, or disentangled methods that bypass the bi-level optimization by matching distributions of data. The latter method has the major advantages of speed and scalability in terms of size of both training and distilled datasets. We demonstrate that when equipped with an encoder-decoder structure, the empirically successful disentangled methods can be reformulated as an optimal quantization problem, where a finite set of points is found to approximate the underlying probability measure by minimizing the expected projection distance. In particular, we link existing disentangled dataset distillation methods to the classical optimal quantization and Wasserstein barycenter problems, demonstrating consistency of distilled datasets for diffusion-based generative priors. We propose Dataset Distillation by Optimal Quantization, based on clustering in a latent space. Compared to the previous SOTA method D\textsuperscript{4}M, we achieve better performance and inter-model generalization on the ImageNet-1K dataset with trivial additional computation, and SOTA performance in higher image-per-class settings. Using the distilled noise initializations in a stronger diffusion transformer model, we obtain SOTA distillation performance on ImageNet-1K and its subsets, outperforming diffusion guidance methods.
Authors: Dongwon Jo, Jiwon Song, Yulhwa Kim, Jae-Joon Kim
Abstract: While large language models (LLMs) excel at handling long-context sequences, they require substantial prefill computation and key-value (KV) cache, which can heavily burden computational efficiency and memory usage in both prefill and decoding stages. Recent works that compress KV caches with prefill acceleration reduce this cost but inadvertently tie the prefill compute reduction to the decoding KV budget. This coupling arises from overlooking the layer-dependent variation of critical context, often leading to accuracy degradation. To address this issue, we introduce FastKV, a KV cache compression framework designed to reduce latency in both prefill and decoding by leveraging the stabilization of token importance in later layers. FastKV performs full-context computation until a Token-Selective Propagation (TSP) layer, which forwards only the most informative tokens to subsequent layers. From these propagated tokens, FastKV independently selects salient KV entries for caching, thereby decoupling KV budget from the prefill compute reduction based on the TSP decision. This independent control of the TSP rate and KV retention rate enables flexible optimization of efficiency and accuracy. Experimental results show that FastKV achieves speedups of up to 1.82$\times$ in prefill and 2.87$\times$ in decoding compared to the full-context baseline, while matching the accuracy of the baselines that only accelerate the decoding stage. Our code is available at https://github.com/dongwonjo/FastKV.
Authors: Benoit Dherin, Benny Avelin, Anders Karlsson, Hanna Mazzawi, Javier Gonzalvo, Michael Munn
Abstract: Despite exceptional achievements, training neural networks remains computationally expensive and is often plagued by instabilities that can degrade convergence. While learning rate schedules can help mitigate these issues, finding optimal schedules is time-consuming and resource-intensive. This work explores theoretical issues concerning training stability in the constant-learning-rate (i.e., without schedule) and small-batch-size regime. Surprisingly, we show that the composition order of gradient updates affects stability and convergence in gradient-based optimizers. We illustrate this new line of thinking using backward-SGD, which produces parameter iterates at each step by reverting the usual forward composition order of batch gradients. Our theoretical analysis shows that in contractive regions (e.g., around minima) backward-SGD converges to a point while the standard forward-SGD generally only converges to a distribution. This leads to improved stability and convergence which we demonstrate experimentally. While full backward-SGD is computationally intensive in practice, it highlights that the extra freedom of modifying the usual iteration composition by reusing creatively previous batches at each optimization step may have important beneficial effects in improving training. Our experiments provide a proof of concept supporting this phenomenon. To our knowledge, this represents a new and unexplored avenue in deep learning optimization.
Authors: Tao Zhang, Jia-Shu Pan, Ruiqi Feng, Tailin Wu
Abstract: Inspired by human SYSTEM 2 thinking, LLMs excel at complex reasoning tasks via extended Chain-of-Thought. However, similar test-time scaling for diffusion models to tackle complex reasoning remains largely unexplored. From existing work, two primary challenges emerge in this setting: (i) the dependence on an external verifier indicating a notable gap from intrinsic reasoning of human intelligence without any external feedback, and (ii) the lack of an efficient search algorithm. In this paper, we introduce the Verifier-free Test-time Scalable Diffusion Model (VFScale) to achieve scalable intrinsic reasoning, which equips number-of-sample test-time scaling with the intrinsic energy function of diffusion models as the verifier. Concretely, VFScale comprises two key innovations to address the aforementioned challenges. On the training side, VFScale consists of a novel MRNCL loss and a KL regularization to improve the energy landscape, ensuring that the learned energy function itself serves as a reliable verifier. On the inference side, VFScale integrates the denoising process with a novel hybrid Monte Carlo Tree Search (hMCTS) to improve search efficiency. On challenging reasoning tasks of Maze and Sudoku, we demonstrate the effectiveness of VFScale's training objective and scalable inference method. In particular, trained with Maze sizes of up to $6\times6$, our VFScale solves 88% of Maze problems with much larger sizes of $15\times15$, while standard diffusion models completely fail. The code can be found at https://github.com/AI4Science-WestlakeU/VFScale.
Authors: Jathurshan Pradeepkumar, Xihao Piao, Zheng Chen, Jimeng Sun
Abstract: Foundation models are reshaping EEG analysis, yet an important problem of EEG tokenization remains a challenge. This paper presents TFM-Tokenizer, a novel tokenization framework that learns a vocabulary of time-frequency motifs from single-channel EEG signals and encodes them into discrete tokens. We propose a dual-path architecture with time-frequency masking to capture robust motif representations, and it is model-agnostic, supporting both lightweight transformers and existing foundation models for downstream tasks. Our study demonstrates three key benefits: Accuracy: Experiments on four diverse EEG benchmarks demonstrate consistent performance gains across both single- and multi-dataset pretraining settings, achieving up to $11\%$ improvement in Cohen's Kappa over strong baselines. Generalization: Moreover, as a plug-and-play component, it consistently boosts the performance of diverse foundation models, including BIOT and LaBraM. Scalability: By operating at the single-channel level rather than relying on the strict 10-20 EEG system, our method has the potential to be device-agnostic. Experiments on ear-EEG sleep staging, which differs from the pretraining data in signal format, channel configuration, recording device, and task, show that our tokenizer outperforms baselines by $14\%$. A comprehensive token analysis reveals strong class-discriminative, frequency-aware, and consistent structure, enabling improved representation quality and interpretability. Code is available at https://github.com/Jathurshan0330/TFM-Tokenizer.
Authors: Maciej Chrab\k{a}szcz, Filip Szatkowski, Bartosz W\'ojcik, Jan Dubi\'nski, Tomasz Trzci\'nski, Sebastian Cygert
Abstract: Although modern LLMs are aligned with human values during post-training, robust moderation remains essential to prevent harmful outputs at deployment time. Existing approaches suffer from performance-efficiency trade-offs and are difficult to customize to user-specific requirements. Motivated by this gap, we introduce Multi-Layer Prototype Moderator (MLPM), a lightweight and highly customizable input moderation tool. We propose leveraging prototypes of intermediate representations across multiple layers to improve moderation quality while maintaining high efficiency. By design, our method adds negligible overhead to the generation pipeline and can be seamlessly applied to any model. MLPM achieves state-of-the-art performance on diverse moderation benchmarks and demonstrates strong scalability across model families of various sizes. Moreover, we show that it integrates smoothly into end-to-end moderation pipelines and further improves response safety when combined with output moderation techniques. Overall, our work provides a practical and adaptable solution for safe, robust, and efficient LLM deployment.
Authors: Adrian Baule
Abstract: Score-based diffusion models generate samples from an unknown target distribution using a time-reversed diffusion process. While such models represent state-of-the-art approaches in industrial applications such as artificial image generation, it has recently been noted that their performance can be further improved by considering injection noise with heavy tailed characteristics. Here, I present a generalization of generative diffusion processes to a wide class of non-Gaussian noise processes. I consider forward processes driven by standard Gaussian noise with super-imposed Poisson jumps representing a finite activity Levy process. The generative process is shown to be governed by a generalized score function that depends on the jump amplitude distribution and can be estimated by minimizing a simple MSE loss as in conventional Gaussian models. Both probability flow ODE and SDE formulations are derived using basic technical effort. A detailed implementation for a pure jump process with Laplace distributed amplitudes yields a generalized score function in closed analytical form and is shown to outperform the equivalent Gaussian model in specific parameter regimes.
Authors: Menghao Huo, Kuan Lu, Qiang Zhu, Zhenrui Chen
Abstract: Credit card fraud has been a persistent issue since the last century, causing significant financial losses to the industry. The most effective way to prevent fraud is by contacting customers to verify suspicious transactions. However, while these systems are designed to detect fraudulent activity, they often mistakenly flag legitimate transactions, leading to unnecessary declines that disrupt the user experience and erode customer trust. Frequent false positives can frustrate customers, resulting in dissatisfaction, increased complaints, and a diminished sense of security. To address these limitations, we propose a fraud detection framework incorporating Relational Graph Convolutional Networks (RGCN) to enhance the accuracy and efficiency of identifying fraudulent transactions. By leveraging the relational structure of transaction data, our model reduces the need for direct customer confirmation while maintaining high detection performance. Our experiments are conducted using the IBM credit card transaction dataset to evaluate the effectiveness of this approach.
Authors: Ming Yang, Gang Li, Quanqi Hu, Qihang Lin, Tianbao Yang
Abstract: Constrained optimization with multiple functional inequality constraints has significant applications in machine learning. This paper examines a crucial subset of such problems where both the objective and constraint functions are weakly convex. Existing methods often face limitations, including slow convergence rates or reliance on double-loop algorithmic designs. To overcome these challenges, we introduce a novel single-loop penalty-based stochastic algorithm. Following the classical exact penalty method, our approach employs a {\bf hinge-based penalty}, which permits the use of a constant penalty parameter, enabling us to achieve a {\bf state-of-the-art complexity} for finding an approximate Karush-Kuhn-Tucker (KKT) solution. We further extend our algorithm to address finite-sum coupled compositional objectives, which are prevalent in artificial intelligence applications, establishing improved complexity over existing approaches. Finally, we validate our method through experiments on fair learning with receiver operating characteristic (ROC) fairness constraints and continual learning with non-forgetting constraints.
Authors: Ziyu Zhou, Jiaxi Hu, Qingsong Wen, James T. Kwok, Yuxuan Liang
Abstract: In deep time series forecasting, the Fourier Transform (FT) is extensively employed for frequency representation learning. However, it often struggles in capturing multi-scale, time-sensitive patterns. Although the Wavelet Transform (WT) can capture these patterns through frequency decomposition, its coefficients are insensitive to change points in time series, leading to suboptimal modeling. To mitigate these limitations, we introduce the multi-order Wavelet Derivative Transform (WDT) grounded in the WT, enabling the extraction of time-aware patterns spanning both the overall trend and subtle fluctuations. Compared with the standard FT and WT, which model the raw series, the WDT operates on the derivative of the series, selectively magnifying rate-of-change cues and exposing abrupt regime shifts that are particularly informative for time series modeling. Practically, we embed the WDT into a multi-branch framework named WaveTS, which decomposes the input series into multi-scale time-frequency coefficients, refines them via linear layers, and reconstructs them into the time domain via the inverse WDT. Extensive experiments on ten benchmark datasets demonstrate that WaveTS achieves state-of-the-art forecasting accuracy while retaining high computational efficiency.
Authors: Yingming Pu, Tao Lin, Hongyu Chen
Abstract: Large Language Model (LLM)-based multi-agent systems (MAS) demonstrate remarkable potential for scientific discovery. Existing approaches, however, often automate scientific discovery using predefined workflows that lack rationality constraints. This often leads to aimless hypothesizing and a failure to consistently link hypotheses with evidence, thereby hindering the systematic reduction of uncertainty. Overcoming these limitations fundamentally requires a principled approach to exploration. We introduce PiFlow, an information-theoretical framework, treating automated scientific discovery as a structured uncertainty reduction problem guided by principles (e.g., scientific laws). Extensive evaluations across three distinct scientific domains demonstrate that PiFlow (I) improves discovery efficiency by 31.18%~41.73% and solution quality by 12.47%~31.72% against state-of-the-art methods, (II) delivers a 5.6x speedup in time-to-solution while reducing token consumption by up to 27% compared to vanilla agents, and (III) serves as a Plug-and-Play module that generalizes on existing agent architecture. Overall, PiFlow establishes a novel paradigm shift in highly efficient agentic scientific discovery, paving the way for more robust and accelerated AI-driven research.
Authors: Kiet Bennema ten Brinke, Koen Minartz, Vlado Menkovski
Abstract: Simulating trajectories of dynamical systems is a fundamental problem in a wide range of fields such as molecular dynamics, biochemistry, and pedestrian dynamics. Machine learning has become an invaluable tool for scaling physics-based simulators and developing models directly from experimental data. In particular, recent advances in deep generative modeling and geometric deep learning enable probabilistic simulation by learning complex trajectory distributions while respecting intrinsic permutation and time-shift symmetries. However, trajectories of N-body systems are commonly characterized by high sensitivity to perturbations leading to bifurcations, as well as multi-scale temporal and spatial correlations. To address these challenges, we introduce STFlow (Spatio-Temporal Flow), a generative model based on graph neural networks and hierarchical convolutions. By incorporating data-dependent couplings within the Flow Matching framework, STFlow denoises starting from conditioned random-walks instead of Gaussian noise. This novel informed prior simplifies the learning task by reducing transport cost, increasing training and inference efficiency. We validate our approach on N-body systems, molecular dynamics, and human trajectory forecasting. Across these benchmarks, STFlow achieves the lowest prediction errors with fewer simulation steps and improved scalability.
Authors: Peizheng Guo, Jingyao Wang, Wenwen Qiang, Jiahuan Zhou, Changwen Zheng, Gang Hua
Abstract: Multi-Modal Learning (MML) integrates information from diverse modalities to improve predictive accuracy. While existing optimization strategies have made significant strides by mitigating gradient direction conflicts, we revisit MML from a gradient-based perspective to explore further improvements. Empirically, we observe an interesting phenomenon: performance fluctuations can persist in both conflict and non-conflict settings. Based on this, we argue that: beyond gradient direction, the intrinsic reliability of gradients acts as a decisive factor in optimization, necessitating the explicit modeling of gradient uncertainty. Guided by this insight, we propose Bayesian-Oriented Gradient Calibration for MML (BOGC-MML). Our approach explicitly models gradients as probability distributions to capture uncertainty, interpreting their precision as evidence within the framework of subjective logic and evidence theory. By subsequently aggregating these signals using a reduced Dempster's combination rule, BOGC-MML adaptively weights gradients based on their reliability to generate a calibrated update. Extensive experiments demonstrate the effectiveness and advantages of the proposed method.
Authors: Sebasti\'an Jim\'enez, Mira J\"urgens, Willem Waegeman
Abstract: Identifying and disentangling sources of predictive uncertainty is essential for trustworthy supervised learning. We argue that widely used second-order methods that disentangle aleatoric and epistemic uncertainty are fundamentally incomplete. First, we show that unaccounted bias contaminates uncertainty estimates by overestimating aleatoric (data-related) uncertainty and underestimating the epistemic (model-related) counterpart, leading to incorrect uncertainty quantification. Second, we demonstrate that existing methods capture only partial contributions to the variance-driven part of epistemic uncertainty; different approaches account for different variance sources, yielding estimates that are incomplete and difficult to interpret. Together, these results highlight that current epistemic uncertainty estimates can only be used in safety-critical and high-stakes decision-making when limitations are fully understood by end users and acknowledged by AI developers.
Authors: Xintong Duan, Yutong He, Fahim Tajwar, Ruslan Salakhutdinov, J. Zico Kolter, Jeff Schneider
Abstract: Although diffusion models have achieved strong results in decision-making tasks, their slow inference speed remains a key limitation. While consistency models offer a potential solution, existing applications to decision-making either struggle with suboptimal demonstrations under behavior cloning or rely on complex concurrent training of multiple networks under the actor-critic framework. In this work, we propose a novel approach to consistency distillation for offline reinforcement learning that directly incorporates reward optimization into the distillation process. Our method achieves single-step sampling while generating higher-reward action trajectories through decoupled training and noise-free reward signals. Empirical evaluations on the Gym MuJoCo, FrankaKitchen, and long horizon planning benchmarks demonstrate that our approach can achieve a 9.7% improvement over previous state-of-the-art while offering up to 142x speedup over diffusion counterparts in inference time.
Authors: Giacomo Baldan, Qiang Liu, Alberto Guardone, Nils Thuerey
Abstract: Physics-constrained generative modeling aims to produce high-dimensional samples that are both physically consistent and distributionally accurate, a task that remains challenging due to often conflicting optimization objectives. Recent advances in flow matching and diffusion models have enabled efficient generative modeling, but integrating physical constraints often degrades generative fidelity or requires costly inference-time corrections. Our work is the first to recognize the trade-off between distributional and physical accuracy. Based on the insight of inherently conflicting objectives, we introduce Physics-Based Flow Matching (PBFM) a method that enforces physical constraints at training time using conflict-free gradient updates and unrolling to mitigate Jensen's gap. Our approach avoids manual loss balancing and enables simultaneous optimization of generative and physical objectives. As a consequence, physics constraints do not impede inference performance. We benchmark our method across three representative PDE benchmarks. PBFM achieves a Pareto-optimal trade-off, competitive inference speed, and generalizes to a wide range of physics-constrained generative tasks, providing a practical tool for scientific machine learning. Code and datasets available at https://github.com/tum-pbs/PBFM.
Authors: Xianquan Yan, Hakan Akg\"un, Kenji Kawaguchi, N. Duane Loh, Ching Hua Lee
Abstract: AI is transforming scientific research by revealing new ways to understand complex physical systems, but its impact remains constrained by the lack of large, high-quality domain-specific datasets. A rich, largely untapped resource lies in non-Hermitian quantum physics, where the energy spectra of crystals form intricate geometries on the complex plane -- termed as Hamiltonian spectral graphs. Despite their significance as fingerprints for electronic behavior, their systematic study has been intractable due to the reliance on manual extraction. To unlock this potential, we introduce Poly2Graph: a high-performance, open-source pipeline that automates the mapping of 1-D crystal Hamiltonians to spectral graphs. Using this tool, we present HSG-12M: a dataset containing 11.6 million static and 5.1 million dynamic Hamiltonian spectral graphs across 1401 characteristic-polynomial classes, distilled from 177 TB of spectral potential data. Crucially, HSG-12M is the first large-scale dataset of spatial multigraphs -- graphs embedded in a metric space where multiple geometrically distinct trajectories between two nodes are retained as separate edges. This simultaneously addresses a critical gap, as existing graph benchmarks overwhelmingly assume simple, non-spatial edges, discarding vital geometric information. Benchmarks with popular GNNs expose new challenges in learning spatial multi-edges at scale. Beyond its practical utility, we show that spectral graphs serve as universal topological fingerprints of polynomials, vectors, and matrices, forging a new algebra-to-graph link. HSG-12M lays the groundwork for data-driven scientific discovery in condensed matter physics, new opportunities in geometry-aware graph learning and beyond.
Authors: Haodong Lu, Chongyang Zhao, Jason Xue, Lina Yao, Kristen Moore, Dong Gong
Abstract: Continual learning (CL) with large pre-trained models is challenged by task interference and catastrophic forgetting. Existing LoRA-based Mixture-of-Experts (MoE) methods mitigate forgetting by adding new task-specific adapters and freezing old ones, but often suffer from redundancy, interference, and ambiguous routing due to coarse-grained experts and routing. Coarse-grained experts (i.e., full LoRA adapters with large rank) encode low-specialty information. Newly added experts often duplicate or conflict with existing ones, causing redundancy and interference. Their low specialization further confuses the router, accelerating routing degradation and forgetting as experts accumulate. In this work, we propose MoRAM (Mixture of Rank-1 Associative Memory). Grounded in the view that weight matrices function as linear associative memories, MoRAM achieves CL as gradual incrementing of atomic rank-1 memory experts. Each rank-1 adapter acts as a fine-grained MoE expert or an associative memory unit. By viewing rank-1 adapters as key-value pairs, we eliminate explicit routers in MoE-LoRA, using a self-activation mechanism where each memory atom evaluates its own relevance via its intrinsic key. This transforms the adaptation process into robust, content-addressable retrieval. Extensive experiments on CLIP and LLMs demonstrate that MoRAM significantly outperforms state-of-the-art baselines, achieving superior plasticity-stability trade-offs, improving generalization while mitigating forgetting.
Authors: Melanie Rieff, Maya Varma, Ossian Rabow, Subathra Adithan, Julie Kim, Ken Chang, Hannah Lee, Nidhi Rohatgi, Christian Bluethgen, Mohamed S. Muneer, Jean-Benoit Delbrouck, Michael Moor
Abstract: Multimodal in-context learning (ICL) remains underexplored despite significant potential for domains such as medicine. Clinicians routinely encounter diverse, specialized tasks requiring adaptation from limited examples, such as drawing insights from a few relevant prior cases or considering a constrained set of differential diagnoses. While multimodal large language models (MLLMs) have shown advances in medical visual question answering (VQA), their ability to learn multimodal tasks from context is largely unknown. We introduce SMMILE, the first expert-driven multimodal ICL benchmark for medical tasks. Eleven medical experts curated problems, each including a multimodal query and multimodal in-context examples as task demonstrations. SMMILE encompasses 111 problems (517 question-image-answer triplets) covering 6 medical specialties and 13 imaging modalities. We further introduce SMMILE++, an augmented variant with 1038 permuted problems. A comprehensive evaluation of 15 MLLMs demonstrates that most models exhibit moderate to poor multimodal ICL ability in medical tasks. In open-ended evaluations, ICL contributes only an 8% average improvement over zero-shot on SMMILE and 9.4% on SMMILE++. We observe a susceptibility for irrelevant in-context examples: even a single noisy or irrelevant example can degrade performance by up to 9.5%. Moreover, we observe that MLLMs are affected by a recency bias, where placing the most relevant example last can lead to substantial performance improvements of up to 71%. Our findings highlight critical limitations and biases in current MLLMs when learning multimodal medical tasks from context. SMMILE is available at https://smmile-benchmark.github.io.
Authors: Yannis Bendi-Ouis (Mnemosyne), Xavier Hinaut (Mnemosyne)
Abstract: While Large Language Models and their underlying Transformer architecture are remarkably efficient, they do not reflect how our brain processes and learns a diversity of cognitive tasks such as language, nor how it leverages working memory. Furthermore, Transformers encounters a computational limitation: quadratic complexity growth with sequence length. Motivated by these limitations, we aim to design architectures that leverage efficient working memory dynamics to overcome standard computational barriers. We introduce Echo State Transformers (EST), a hybrid architecture that resolves this challenge while demonstrating state of the art performance in classification and detection tasks. EST integrates the Transformer attention mechanisms with nodes from Reservoir Computing to create a fixed-size memory system. Drawing inspiration from Echo State Networks, our approach leverages several reservoirs (random recurrent networks) in parallel as a lightweight and efficient working memory. These independent units possess distinct and learned internal dynamics with an adaptive leak rate, enabling them to dynamically adjust their own temporality. By applying attention on those fixed number of units instead of input tokens, EST achieves linear complexity for the whole sequence, effectively breaking the quadratic scaling problem of standard Transformers. We evaluate ESTs on a recent timeseries benchmark: the Time Series Library, which comprises 69 tasks across five categories. Results show that ESTs ranks first overall in two of five categories, outperforming strong state-of-the-art baselines on classification and anomaly detection tasks, while remaining competitive on short-term forecasting. These results demonstrate that by shifting the attention mechanism from the entire input sequence to a fixed set of evolving memory units, it is possible to maintains high sensitivity to temporal events while achieving constant computational complexity per step.
Authors: Hai Zhong, Xun Wang, Zhuoran Li, Longbo Huang
Abstract: By leveraging differentiable dynamics, Reparameterization Policy Gradient (RPG) achieves high sample efficiency. However, current approaches are hindered by two critical limitations: the under-utilization of computationally expensive dynamics Jacobians and inherent training instability. While sample reuse offers a remedy for under-utilization, no prior principled framework exists, and naive attempts risk exacerbating instability. To address these challenges, we propose Reparameterization Proximal Policy Optimization (RPO). We first establish that under sample reuse, RPG naturally optimizes a PPO-style surrogate objective via Backpropagation Through Time, providing a unified framework for both on- and off-policy updates. To further ensure stability, RPO integrates a clipped policy gradient mechanism tailored for RPG and employs explicit Kullback-Leibler divergence regularization. Experimental results demonstrate that RPO maintains superior sample efficiency and consistently outperforms or achieves state-of-the-art performance across diverse tasks.
Authors: Xinzhe Zheng, Zhen-Qun Yang, Zishan Liu, Haoran Xie, S. Joe Qin, Arlene Chen, Fangzhen Lin
Abstract: Large Language Models (LLMs) deliver strong performance but are difficult to deploy under tight memory and compute constraints. Low-bit post-training quantization (PTQ) is a promising direction; however, it typically relies on calibration data, auxiliary transformations, and GPU tools. To address these limitations, we propose MSB (Multi Scale Binary), a calibration-free and transformation-free PTQ method that generalizes binary quantization to multi-bit settings. MSB optimizes a dynamic grouping criterion that minimizes within group variance, yielding group-wise multiscale levels that can be applied consistently across granularities from per tensor to block-wise configurations with 64 elements groups per row, without calibration or intermediate transforms. We implement the optimization in a CPU based solver for the quantization step and evaluate using standard bfloat16 execution without low-bit packing. On Llama 3.2 3B, MSB achieves 8.43 perplexity on WikiText-2 under 4-bit weight only block-wise quantization, compared to 7.81 in full precision and 12.23 with GPTQ its default setup. Overall, MSB provides a new optimization perspective for low-bit PTQ while simplifying the pipeline by removing calibration and transformations.
Authors: Vicky Kouni
Abstract: Unfolding networks are interpretable networks emerging from iterative algorithms, incorporate prior knowledge of data structure, and are designed to solve inverse problems like compressed sensing, which deals with recovering data from noisy, missing observations. Compressed sensing finds applications in critical domains, from medical imaging to cryptography, where adversarial robustness is crucial to prevent catastrophic failures. However, a solid theoretical understanding of the performance of unfolding networks in the presence of adversarial attacks is still in its infancy. In this paper, we study the adversarial generalization of unfolding networks when perturbed with $l_2$-norm constrained attacks, generated by the fast gradient sign method. Particularly, we choose a family of state-of-the-art overaparameterized unfolding networks and deploy a new framework to estimate their adversarial Rademacher complexity. Given this estimate, we provide adversarial generalization error bounds for the networks under study, which are tight with respect to the attack level. To our knowledge, this is the first theoretical analysis on the adversarial generalization of unfolding networks. We further present a series of experiments on real-world data, with results corroborating our derived theory, consistently for all data. Finally, we observe that the family's overparameterization can be exploited to promote adversarial robustness, shedding light on how to efficiently robustify neural networks.
Authors: Davide Ettori, Nastaran Darabi, Sureshkumar Senthilkumar, Amit Ranjan Trivedi
Abstract: Large deep learning models such as BERT and ResNet achieve state-of-the-art performance but are costly to deploy at the edge due to their size and compute demands. We present RMT-KD, a compression method that leverages Random Matrix Theory (RMT) for knowledge distillation to iteratively reduce network size. Instead of pruning or heuristic rank selection, RMT-KD preserves only informative directions identified via the spectral properties of hidden representations. RMT-based causal reduction is applied layer by layer with self-distillation to maintain stability and accuracy. On GLUE and CIFAR-10, RMT-KD achieves up to 80% parameter reduction with only 2% accuracy loss, delivering 2.8x faster inference and nearly halved power consumption. These results establish RMT-KD as a mathematically grounded approach to network distillation.
Authors: Davide Ettori, Nastaran Darabi, Sina Tayebati, Ranganath Krishnan, Mahesh Subedar, Omesh Tickoo, Amit Ranjan Trivedi
Abstract: Large language models (LLMs) offer broad utility but remain prone to hallucination and out-of-distribution (OOD) errors. We propose EigenTrack, an interpretable real-time detector that uses the spectral geometry of hidden activations, a compact global signature of model dynamics. By streaming covariance-spectrum statistics such as entropy, eigenvalue gaps, and KL divergence from random baselines into a lightweight recurrent classifier, EigenTrack tracks temporal shifts in representation structure that signal hallucination and OOD drift before surface errors appear. Unlike black- and grey-box methods, it needs only a single forward pass without resampling. Unlike existing white-box detectors, it preserves temporal context, aggregates global signals, and offers interpretable accuracy-latency trade-offs.
Authors: Michael S. Yao, Osbert Bastani, Alma Andersson, Tommaso Biancalani, A\"icha Bentaieb, Claudia Iriondo
Abstract: The goal of personalized medicine is to discover a treatment regimen that optimizes a patient's clinical outcome based on their personal genetic and environmental factors. However, candidate treatments cannot be arbitrarily administered to the patient to assess their efficacy; we often instead have access to an in silico surrogate model that approximates the true fitness of a proposed treatment. Unfortunately, such surrogate models have been shown to fail to generalize to previously unseen patient-treatment combinations. We hypothesize that domain-specific prior knowledge - such as medical textbooks and biomedical knowledge graphs - can provide a meaningful alternative signal of the fitness of proposed treatments. To this end, we introduce LLM-based Entropy-guided Optimization with kNowledgeable priors (LEON), a mathematically principled approach to leverage large language models (LLMs) as black-box optimizers without any task-specific fine-tuning, taking advantage of their ability to contextualize unstructured domain knowledge to propose personalized treatment plans in natural language. In practice, we implement LEON via 'optimization by prompting,' which uses LLMs as stochastic engines for proposing treatment designs. Experiments on real-world optimization tasks show LEON outperforms both traditional and LLM-based methods in proposing individualized treatments for patients.
Authors: Jennifer Lin
Abstract: We provide evidence that eigenanalysis of the empirical neural tangent kernel (eNTK) can surface the features used by trained neural networks. Across three standard toy models for mechanistic interpretability, Toy Models of Superposition (TMS), a 1-layer MLP trained on modular addition and a 1-layer Transformer trained on modular addition, we find that top eigenspaces of the eNTK align with ground-truth features. In TMS, the eNTK recovers the ground-truth features in both the sparse (high superposition) and dense regimes. In modular arithmetic, the eNTK can be used to recover Fourier feature families. Moreover, we provide evidence that a layerwise eNTK localizes features to specific layers and that the evolution of the eNTK spectrum can be used to diagnose the grokking phase transition. These results suggest that eNTK analysis may provide a practical handle for feature discovery and for detecting phase changes in small models.
Authors: Weiqing He, Xiang Li, Tianqi Shang, Li Shen, Weijie Su, Qi Long
Abstract: Large language models (LLMs) raise concerns about content authenticity and integrity because they can generate human-like text at scale. Text watermarks, which embed detectable statistical signals into generated text, offer a provable way to verify content origin. Many detection methods rely on pivotal statistics that are i.i.d. under human-written text, making goodness-of-fit (GoF) tests a natural tool for watermark detection. However, GoF tests remain largely underexplored in this setting. In this paper, we systematically evaluate eight GoF tests across three popular watermarking schemes, using three open-source LLMs, two datasets, various generation temperatures, and multiple post-editing methods. We find that general GoF tests can improve both the detection power and robustness of watermark detectors. Notably, we observe that text repetition, common in low-temperature settings, gives GoF tests a unique advantage not exploited by existing methods. Our results highlight that classic GoF tests are a simple yet powerful and underused tool for watermark detection in LLMs.
Authors: Nghiem T. Diep, Hien Dang, Tuan Truong, Tan Dinh, Huy Nguyen, Nhat Ho
Abstract: Parameter-efficient fine-tuning (PEFT) methods have become the standard paradigm for adapting large-scale models. Among these techniques, Weight-Decomposed Low-Rank Adaptation (DoRA) has been shown to improve both the learning capacity and training stability of the Low-Rank Adaptation (LoRA) method by explicitly decomposing pre-trained weights into magnitude and directional components. In this work, we propose DoRAN, a new technique designed to stabilize training and boost the sample efficiency of DoRA. Our framework introduces two key components: (i) the injection of learnable noise into the denominator of DoRA weight decomposition, which serves as an adaptive regularizer to mitigate instabilities and improve the estimation rate of low-rank matrices; and (ii) the replacement of static low-rank matrices with auxiliary networks that generate them dynamically, enabling parameter coupling between the query and value projection matrices, leading to improved sample efficiency both theoretically and empirically. Comprehensive experiments on vision and language benchmarks show that DoRAN consistently outperforms LoRA, DoRA, and other PEFT baselines, underscoring the effectiveness of combining noise-based regularization with network-based parameter generation.
Authors: Omri Bar Oz, Tosca Lechner, Sivan Sabato
Abstract: We study the theoretical properties of the interactive learning protocol Discriminative Feature Feedback (DFF) (Dasgupta et al., 2018). The DFF learning protocol uses feedback in the form of discriminative feature explanations. We provide the first systematic study of DFF in a general framework that is comparable to that of classical protocols such as supervised learning and online learning. We study the optimal mistake bound of DFF in the realizable and the non-realizable settings, and obtain novel structural results, as well as insights into the differences between Online Learning and settings with richer feedback such as DFF. We characterize the mistake bound in the realizable setting using a new notion of dimension. In the non-realizable setting, we provide a mistake upper bound and show that it cannot be improved in general. Our results show that unlike Online Learning, in DFF the realizable dimension is insufficient to characterize the optimal non-realizable mistake bound or the existence of no-regret algorithms.
Authors: Xiaoyu Wang, Alexandra Valavanis, Azhir Mahmood, Andreas Mang, Martin Benning, Audrey Repetti
Abstract: The training of deep neural networks predominantly relies on a combination of gradient-based optimisation and back-propagation for the computation of the gradient. While incredibly successful, this approach faces challenges such as vanishing or exploding gradients, difficulties with non-smooth activations, and an inherently sequential structure that limits parallelisation. Lifted training methods offer an alternative by reformulating the nested optimisation problem into a higher-dimensional, constrained optimisation problem where the constraints are no longer enforced directly but penalised with penalty terms. This chapter introduces a unified framework that encapsulates various lifted training strategies, including the Method of Auxiliary Coordinates, Fenchel Lifted Networks, and Lifted Bregman Training, and demonstrates how diverse architectures, such as Multi-Layer Perceptrons, Residual Neural Networks, and Proximal Neural Networks fit within this structure. By leveraging tools from convex optimisation, particularly Bregman distances, the framework facilitates distributed optimisation, accommodates non-differentiable proximal activations, and can improve the conditioning of the training landscape. We discuss the implementation of these methods using block-coordinate descent strategies, including deterministic implementations enhanced by accelerated and adaptive optimisation techniques, as well as implicit stochastic gradient methods. Furthermore, we explore the application of this framework to inverse problems, detailing methodologies for both the training of specialised networks (e.g., unrolled architectures) and the stable inversion of pre-trained networks. Numerical results on standard imaging tasks validate the effectiveness and stability of the lifted Bregman approach compared to conventional training, particularly for architectures employing proximal activations.
Authors: Moritz Wagner, Christophe Roux, Max Zimmer, Sebastian Pokutta
Abstract: Post-training pruning substantially reduces inference costs but often causes severe quality degradation without adapting the remaining weights. For LLMs, such retraining is commonly considered impractical due to large computational costs, motivating increasingly sophisticated pruning criteria to compensate by selecting better sparsity patterns. In this work, we revisit post-pruning adaptation and study local reconstruction: adapting only a small pruned submodel at a time using a small calibration set by matching intermediate activations of the dense model. We conduct a large-scale study across model families and scales (up to 72B parameters) and establish three central results. First, local reconstruction is an effective adaptation mechanism for LLMs, matching post-pruning PEFT while using over an order of magnitude less data and compute. Second, we identify a broad "free lunch" regime in reconstruction granularity: across a wide range of submodel sizes, final quality remains essentially unchanged, allowing granularity to be chosen based on memory constraints. Finally, with reconstruction, the pruning criterion becomes less critical: performance gaps between sophisticated methods and simple baselines shrink with model size, making simple methods competitive again. Collectively, our results challenge the prevailing narrative that post-pruning adaptation is impractical for LLMs.
Authors: Daria Frolova, Talgat Daulbaev, Egor Sevriugov, Sergei A. Nikolenko, Dmitry N. Ivankov, Ivan Oseledets, Marina A. Pak
Abstract: Accurate prediction of protein-ligand binding poses is crucial for structure-based drug design, yet existing methods struggle to balance speed, accuracy, and physical plausibility. We introduce Matcha, a novel molecular docking pipeline that combines multi-stage flow matching with physically-aware post-processing. Our approach consists of three sequential stages applied consecutively to progressively refine docking predictions, each implemented as a flow matching model operating on appropriate geometric spaces ($\mathbb{R}^3$, $\mathrm{SO}(3)$, and $\mathrm{SO}(2)$). We enhance the prediction quality through GNINA energy minimization and apply unsupervised physical validity filters to eliminate unrealistic poses. Compared to various approaches, Matcha demonstrates superior physical plausibility across all considered benchmarks. Moreover, our method works approximately 31 times faster than modern large-scale co-folding models. The model weights and inference code to reproduce our results are available at https://github.com/LigandPro/Matcha.
Authors: Fardin Ganjkhanloo, Emmett Springer, Erik H. Hoyer, Daniel L. Young, Kimia Ghobadi
Abstract: In this study we aim to better align fall risk prediction from the Johns Hopkins Fall Risk Assessment Tool (JHFRAT) with additional clinically meaningful measures via a data-driven modelling approach. We conducted a retrospective analysis of 54,209 inpatient admissions from three Johns Hopkins Health System hospitals between March 2022 and October 2023. A total of 20,208 admissions were included as high fall risk encounters, and 13,941 were included as low fall risk encounters. To incorporate clinical knowledge and maintain interpretability, we employed constrained score optimization (CSO) models on JHFRAT assessment data and additional electronic health record (EHR) variables. The model demonstrated significant improvements in predictive performance over the current JHFRAT (CSO AUC-ROC=0.91, JHFRAT AUC-ROC=0.86). The constrained score optimization models performed similarly with and without the EHR variables. Although the benchmark black-box model (XGBoost), improves upon the performance metrics of the knowledge-based constrained logistic regression (AUC-ROC=0.94), the CSO demonstrates more robustness to variations in risk labelling. This evidence-based approach provides a robust foundation for health systems to systematically enhance inpatient fall prevention protocols and patient safety using data-driven optimization techniques, contributing to improved risk assessment and resource allocation in healthcare settings.
Authors: Julie Mordacq, David Loiseaux, Vicky Kalogeiton, Steve Oudot
Abstract: Self-supervised learning (SSL) has emerged as a powerful paradigm for learning representations without labeled data, often by enforcing invariance to input transformations such as rotations or blurring. Recent studies have highlighted two pivotal properties for effective representations: (i) avoiding dimensional collapse-where the learned features occupy only a low-dimensional subspace, and (ii) enhancing uniformity of the induced distribution. In this work, we introduce T-REGS, a simple regularization framework for SSL based on the length of the Minimum Spanning Tree (MST) over the learned representation. We provide theoretical analysis demonstrating that T-REGS simultaneously mitigates dimensional collapse and promotes distribution uniformity on arbitrary compact Riemannian manifolds. Several experiments on synthetic data and on classical SSL benchmarks validate the effectiveness of our approach at enhancing representation quality.
Authors: Marko Karbevski, Antonij Mijoski
Abstract: We theoretically investigate whether the Query, Key, Value weight triplet can be reduced in encoder-only and decoder-only transformers. Under mild assumptions, we prove that Query weights are redundant and can be replaced with the identity matrix, reducing attention parameters by $25\%$. This also simplifies optimization: attention logits become linear rather than quadratic in learned weights. Validating on decoder-only GPT-style small models trained from scratch, we find that with adjusted attention scaling and weight decay, reduced models match baseline performance despite fewer parameters. Training remains stable at over $3\times$ lower weight decay, suggesting Query weight elimination provides implicit regularization. Our analysis has also led us to a structural expressivity boundary: in the mathematically tractable ReLU setting, skip connections push MLPs into a generically disjoint function class at fixed width. These findings motivate investigation across modalities and at scale, where the observed stability and efficiency gains may prove most consequential.
Authors: Svetlana Churina, Niranjan Chebrolu, Kokil Jaidka
Abstract: We show that continual pretraining on plausible misinformation can overwrite specific factual knowledge in large language models without degrading overall performance. Unlike prior poisoning work under static pretraining, we study repeated exposure to counterfactual claims during continual updates. Using paired fact-counterfact items with graded poisoning ratios, we track how internal preferences between competing facts evolve across checkpoints, layers, and model scales. Even moderate poisoning (50-100%) flips over 55% of responses from correct to counterfactual while leaving ambiguity nearly unchanged. These belief flips emerge abruptly, concentrate in late layers (e.g., Layers 29-36 in 3B models), and are partially reversible via patching (up to 56.8%). The corrupted beliefs generalize beyond poisoned prompts, selectively degrading commonsense reasoning while leaving alignment benchmarks largely intact and transferring imperfectly across languages. These results expose a failure mode of continual pre-training in which targeted misinformation replaces internal factual representations without triggering broad performance collapse, motivating representation-level monitoring of factual integrity during model updates.
Authors: Etienne Le Naour, Tahar Nabil, Adrien Petralia, Ghislain Agoua
Abstract: Foundation models for time series imputation remain largely unexplored. Recently, two such models, TabPFN-TS and MoTM, have emerged. These models share a common philosophy that places them within the family of time-indexed foundation models. This paper presents the first large-scale empirical study of these models for zero-shot imputation, which enables missing value recovery without retraining across a wide range of scenarios. We conduct extensive univariate experiments across 33 out-of-domain datasets (approximately 1.3M imputation windows) and evaluate their ability to integrate covariates at inference time to improve accuracy without fine-tuning. Our results demonstrate that time-indexed foundation models are a powerful and practical step toward achieving general-purpose, zero-shot imputation for real-world time series.
Authors: Mattie Ji, Amauri H. Souza, Vikas Garg
Abstract: Topological descriptors have been increasingly utilized for capturing multiscale structural information in relational data. In this work, we consider various filtrations on the (box) product of graphs and the effect on their outputs on the topological descriptors - the Euler characteristic (EC) and persistent homology (PH). In particular, we establish a complete characterization of the expressive power of EC on general color-based filtrations. We also show that the PH descriptors of (virtual) graph products contain strictly more information than the computation on individual graphs, whereas EC does not. Additionally, we provide algorithms to compute the PH diagrams of the product of vertex- and edge-level filtrations on the graph product. We also substantiate our theoretical analysis with empirical investigations on runtime analysis, expressivity, and graph classification performance. Overall, this work paves way for powerful graph persistent descriptors via product filtrations. Code is available at https://github.com/Aalto-QuML/tda_graph_product.
Authors: Ying Song, Balaji Palanisamy
Abstract: Graph unlearning has emerged as a promising solution to comply with "the right to be forgotten" regulations by enabling the removal of sensitive information upon request. However, this solution is not foolproof. The involvement of multiple parties creates new attack surfaces, and residual traces of deleted data can still remain in the unlearned graph neural networks (GNNs). These vulnerabilities can be exploited by attackers to recover the supposedly erased samples, thereby undermining the intended functionality of graph unlearning. In this work, we propose GraphToxin, the first full graph reconstruction attack against graph unlearning. Specifically, we introduce a novel curvature matching module to provide fine-grained guidance for unlearned graph recovery. We demonstrate that GraphToxin can successfully subvert the regulatory guarantees expected from graph unlearning, it can recover not only a deleted individual's information and personal links but also sensitive content from their connections, thereby posing substantially more detrimental threats. Furthermore, we extend GraphToxin to multiple-node removal under both white-box and black-box settings, showcasing its practical feasibility and potential to cause considerable harm. We highlight the necessity of worst-case analysis and propose a systematic evaluation framework to assess attack performance under both random and worst-case node removal scenarios. Our extensive experiments demonstrate the effectiveness and flexibility of GraphToxin. Notably, existing defense mechanisms are largely ineffective against this attack or even amplify its performance in some cases. Given the severe privacy risks posed by GraphToxin, our work underscores the urgent need for more effective and robust defenses.
Authors: Victor Rambaud, Salvador Mascarenhas, Yair Lakretz
Abstract: A cognitive map is an internal model which encodes the abstract relationships among entities in the world, giving humans and animals the flexibility to adapt to new situations, with a strong out-of-distribution (OOD) generalization that current AI systems still do not possess. To bridge this gap, we introduce MapFormers, new architectures based on Transformer models, which can learn cognitive maps from observational data and perform path integration in parallel, in a self-supervised manner. Cognitive maps are learned in the model by disentangling structural relationships in the inputs from their specific content, a property that can be achieved naturally by updating the positional encoding in Transformers with input-dependent matrices. We developed two variants of MapFormers that unify absolute and relative positional encoding to model episodic (EM) and working memory (WM), respectively. We tested MapFormers on several tasks, including a classic 2D navigation task, showing that our models can learn a cognitive map of the underlying space and generalize OOD (e.g., to longer sequences) with near-perfect performance, unlike current architectures. Together, these results demonstrate the superiority of models designed to learn a cognitive map, and the importance of introducing a structural bias for structure-content disentanglement, which can be achieved in Transformers with input-dependent positional encoding. MapFormers have broad applications in both neuroscience and AI, by explaining the neural mechanisms giving rise to cognitive maps, while allowing these relation models to be learned at scale.
Authors: Dongsung Huh, Halyun Jeong
Abstract: While modern neural architectures typically generalize via smooth interpolation, it lacks the inductive biases required to uncover algebraic structures essential for systematic generalization. We present the first theoretical analysis of HyperCube, a differentiable tensor factorization architecture designed to bridge this gap. This work establishes an intrinsic geometric property of the HyperCube formulation: we prove that the architecture mediates a fundamental equivalence between geometric alignment and algebraic structure. Independent of the global optimization landscape, we show that the condition of geometric alignment imposes rigid algebraic constraints, proving that the feasible collinear manifold is non-empty if and only if the target is isotopic to a group. Within this manifold, we characterize the objective as a rank-maximizing potential that unconditionally drives factors toward full-rank, unitary representations. Finally, we propose the Collinearity Dominance mechanism to link these structural results to the global landscape. Supported by empirical scaling laws, we establish that global minima are achieved exclusively by unitary regular representations of group isotopes. This formalizes the HyperCube objective as a differentiable proxy for associativity, demonstrating how rigid geometric constraints enable the discovery of latent algebraic symmetry.
Authors: Mamadou K. Keita, Sebastien Diarra, Christopher Homan, Seydou Diallo
Abstract: Effective text generation and chat interfaces for low-resource languages (LRLs) remain a challenge for state-of-the-art large language models (LLMs) to support. This is mainly due to the difficulty of curating high-quality instruction datasets for LRLs, a limitation prevalent in the languages spoken across the African continent and other regions. Current approaches, such as automated translation and synthetic data generation, frequently yield outputs that lack fluency or even orthographic consistency. In this paper, we introduce InstructLR, a novel framework designed to generate high-quality instruction datasets for LRLs. Our approach integrates LLM-driven text generation with a dual-layer quality filtering mechanism: an automated filtering layer based on retrieval-augmented-generation (RAG)-based n-shot prompting, and a human-in-the-loop validation layer. Drawing inspiration from benchmarks such as MMLU in task definition, InstructLR has facilitated the creation of three multi-domain instruction benchmarks: ZarmaInstruct-50k, BambaraInstruct-50k, and FulfuldeInstruct-50k.
Authors: Echo Diyun LU, Charles Findling, Marianne Clausel, Alessandro Leite, Wei Gong, Pierric Kersaudy
Abstract: Regime transitions routinely break stationarity in time series, making calibrated uncertainty as important as point accuracy. We study distribution-free uncertainty for regime-switching forecasting by coupling Deep Switching State Space Models with Adaptive Conformal Inference (ACI) and its aggregated variant (AgACI). We also introduce a unified conformal wrapper that sits atop strong sequence baselines including S4, MC-Dropout GRU, sparse Gaussian processes, and a change-point local model to produce online predictive bands with finite-sample marginal guarantees under nonstationarity and model misspecification. Across synthetic and real datasets, conformalized forecasters achieve near-nominal coverage with competitive accuracy and generally improved band efficiency.
Authors: Eduardo Di Santi
Abstract: Real-world phenomena do not generate arbitrary variability: their signals concentrate on compact, low-variability subsets of functional space, enabling rapid generalization from few examples. A small child can recognize a dog after extremely limited exposure because the perceptual manifold of "dog" is compact, structured, and low-dimensional. We formalize this principle through a deterministic functional-topological framework in which the set of valid realizations produced by a physical process forms a compact subset of a Banach space, endowed with stable invariants, a finite Hausdorff radius, and an induced continuous perceptual functional. This geometry provides explicit limits on knowledge, conditions for identifiability, and guarantees for generalization from sparse evidence -- properties fundamental to both natural and artificial intelligence. Across electromechanical, electrochemical, and physiological domains, we show that real-world processes consistently generate compact perceptual manifolds with the same geometric characteristics. Their boundaries can be discovered in a fully self-supervised manner as the empirical radius saturates with increasing sampling, even when the governing equations are unknown. These results demonstrate that deterministic functional topology offers a unified mathematical foundation for perception, representation, and world-model construction. It provides a geometric explanation for why biological learners and self-supervised AI systems can generalize from few observations, and establishes compact perceptual manifolds as a fundamental building block for future AI architectures. Finally, this work unifies biological perception and modern self-supervised models under a single geometric principle: both derive their generalization ability from the compactness and invariants of real-world perceptual manifolds.
Authors: Lorenzo Livi
Abstract: We develop a theoretical framework that explains how gating mechanisms determine the learnability window $\mathcal{H}_N$ of recurrent neural networks, defined as the largest temporal horizon over which gradient information remains statistically recoverable. While classical analyses emphasize numerical stability of Jacobian products, we show that stability alone is insufficient: learnability is governed instead by the effective learning rates $\mu_{t,\ell}$, per-lag and per-neuron quantities obtained from first-order expansions of gate-induced Jacobian products in Backpropagation Through Time. These effective learning rates act as multiplicative filters that control both the magnitude and anisotropy of gradient transport. Under heavy-tailed ($\alpha$-stable) gradient noise, we prove that the minimal sample size required to detect a dependency at lag~$\ell$ scales as $N(\ell)\propto f(\ell)^{-\kappa_\alpha}$, where $f(\ell)=\|\mu_{t,\ell}\|_1$ is the effective learning rate envelope and $\kappa_\alpha=\alpha/(\alpha-1)$ is the concentration exponent governing empirical averages. This yields an explicit characterization of $\mathcal{H}_N$ and closed-form scaling laws for logarithmic, polynomial, and exponential decay of $f(\ell)$. The theory shows that the time-scale spectra induced by the effective learning rates are the dominant determinants of learnability: broader or more heterogeneous spectra slow the decay of $f(\ell)$, enlarging the learnability window, while heavy-tailed noise uniformly compresses $\mathcal{H}_N$ by slowing statistical concentration to $N^{-1/\kappa_{\alpha}}$. By integrating gate-induced time-scale geometry with gradient noise and sample complexity, the framework identifies effective learning rates as the primary objects that determine whether, when, and over what horizons recurrent networks can learn long-range temporal dependencies.
Authors: Kevin Lee, Duncan Smith-Halverson, Pablo Millan Arias
Abstract: Layer-wise Relevance Propagation (LRP) provides principled attribution for neural networks through conservation properties and foundations in Deep Taylor Decomposition. However, existing implementations operate at the module level, requiring architecture-specific propagation rules and model modifications. These limit the generality of target model and sustainability of implementations as architectures evolve. We introduce DynamicLRP, a model-agnostic LRP framework operating at the tensor operation level. By decomposing attribution to individual operations within computation graphs and introducing a novel mechanism for deferred activation resolution, named the Promise System, our approach achieves true architecture agnosticity while maintaining LRP's theoretical guarantees. This design operates independently of backpropagation machinery, requiring no model modification, enabling side-by-side execution with gradient backpropagation. Being based on computation graphs, this method is theoretically extensible to other deep learning libraries that support auto-differentiation. We demonstrate faithfulness matching or exceeding specialized implementations (1.77 vs 1.69 ABPC on VGG, equivalent performance on ViT, 93.70% and 95.06% top-1 attribution accuracy for explaining RoBERTa-large and Flan-T5-large answers on SQuADv2, respectively) while maintaining practical efficiency on models with 100M-1B parameters. We achieved 99.92% node coverage across 31,465 computation graph nodes from 15 diverse architectures, including state-space models (Mamba), audio transformers (Whisper), and multimodal systems (DePlot) without any model-specific code with rules for 47 fundamental operations implemented. Our operation-level decomposition and Promise System establish a sustainable, extensible foundation for LRP across evolving architectures. All code is available at https://github.com/keeinlev/dynamicLRP .
Authors: Sai Bharath Chandra Gutha, Ricardo Vinuesa, Hossein Azizpour
Abstract: A pre-trained unconditional diffusion model, combined with posterior sampling or maximum a posteriori (MAP) estimation techniques, can solve arbitrary inverse problems without task-specific training or fine-tuning. However, existing posterior sampling and MAP estimation methods often rely on modeling approximations and can also be computationally demanding. In this work, we propose a new MAP estimation strategy for solving inverse problems with a pre-trained unconditional diffusion model. Specifically, we introduce the variational mode-seeking loss (VML) and show that its minimization at each reverse diffusion step guides the generated sample towards the MAP estimate (modes in practice). VML arises from a novel perspective of minimizing the Kullback-Leibler (KL) divergence between the diffusion posterior $p(\mathbf{x}_0|\mathbf{x}_t)$ and the measurement posterior $p(\mathbf{x}_0|\mathbf{y})$, where $\mathbf{y}$ denotes the measurement. Importantly, for linear inverse problems, VML can be analytically derived without any modeling approximations. Based on further theoretical insights, we propose VML-MAP, an empirically effective algorithm for solving inverse problems via VML minimization, and validate its efficacy in both performance and computational time through extensive experiments on diverse image-restoration tasks across multiple datasets.
Authors: Atalay Denknalbant, Emre Sezdi, Zeki Furkan Kutlu
Abstract: Financial exclusion constrains entrepreneurship, increases income volatility, and widens wealth gaps. Underbanked consumers in Istanbul often have no bureau file because their earnings and payments flow through informal channels. To study how such borrowers can be evaluated we create a synthetic dataset of one hundred thousand Istanbul residents that reproduces first quarter 2025 T\"U\.IK (TURKSTAT) census marginals and telecom usage patterns. Retrieval augmented generation feeds these public statistics into the OpenAI o3 model, which synthesises realistic yet private records. Each profile contains seven socio demographic variables and nine alternative attributes that describe phone specifications, online shopping rhythm, subscription spend, car ownership, monthly rent, and a credit card flag. To test the impact of the alternative financial data CatBoost, LightGBM, and XGBoost are each trained in two versions. Demo models use only the socio demographic variables; Full models include both socio demographic and alternative attributes. Across five fold stratified validation the alternative block raises area under the curve by about one point three percentage and lifts balanced F 1 from roughly 0.84 to 0.95, a fourteen percent gain. We contribute an open Istanbul 2025 Q1 synthetic dataset, a fully reproducible modeling pipeline, and empirical evidence that a concise set of behavioural attributes can approach bureau level discrimination power while serving borrowers who lack formal credit records. These findings give lenders and regulators a transparent blueprint for extending fair and safe credit access to the underbanked.
Authors: Xingjian Wu, Hanyin Cheng, Xiangfei Qiu, Zhengyu Li, Jilin Hu, Chenjuan Guo, Bin Yang
Abstract: In this work, we introduce FLAME, a family of extremely lightweight and capable Time Series Foundation Models, which support both deterministic and probabilistic forecasting via generative probabilistic modeling, thus ensuring both efficiency and robustness. FLAME utilizes the Legendre Memory for strong generalization capabilities. Through adapting variants of Legendre Memory, i.e., translated Legendre (LegT) and scaled Legendre (LegS), in the Encoding and Decoding phases, FLAME can effectively capture the inherent inductive bias within data and make efficient long-range inferences. To enhance the accuracy of probabilistic forecasting while keeping efficient, FLAME adopts a Normalization Flow based forecasting head, which can model the arbitrarily intricate distributions over the forecasting horizon in a generative manner. Comprehensive experiments on well-recognized benchmarks, including TSFM-Bench and ProbTS, demonstrate the consistent state-of-the-art zero-shot performance of FLAME on both deterministic and probabilistic forecasting tasks.
Authors: Vladimir G. Pestov
Abstract: We establish the last missing link allowing to describe those complete separable metric spaces $X$ in which the $k$ nearest neighbour classifier is universally consistent, both in combinatorial terms of dimension theory and via a fundamental property of real analysis. The following are equivalent: (1) The $k$-nearest neighbour classifier is universally consistent in $X$, (2) The strong Lebesgue--Besicovitch differentiation property holds in $X$ for every locally finite Borel measure, (3) $X$ is sigma-finite dimensional in the sense of Jun-Iti Nagata. The equivalence (2)$\iff$(3) was announced by Preiss (1983), while a detailed proof of the implication (3)$\Rightarrow$(2) has only appeared in Assouad and Quentin de Gromard (2006). The implication (2)$\Rightarrow$(1) was established by C\'erou and Guyader (2006). We prove the implication (1)$\Rightarrow$(3). We further show that the weak (instead of strong) Lebesgue--Besicovitch property is insufficient for the consistency of the $k$-NN rule, as witnessed, for example, by the Heisenberg group (here we correct a wrong claim made in the previous article (Kumari and Pestov 2024)). A bit counter-intuitively, there is a metric on the real line uniformly equivalent to the usual distance but under which the $k$-NN classifier fails. Finally, another equivalent condition that can be added to the above is the Cover--Hart property: (4) the error of the $1$-nearest neighbour classifier is asymptotically at most twice as bad as the Bayes error.
Authors: Shirui Chen, Jiantao Jiao, Lillian J. Ratliff, Banghua Zhu
Abstract: Masked diffusion language models (MDLMs) offer the potential for parallel token generation, but most open-source MDLMs decode fewer than 5 tokens per model forward pass even with sophisticated sampling strategies, limiting their parallel generation potential. Existing acceleration methods either rely on fixed confidence-based heuristics or use distillation-based approaches that finetune MDLMs on trajectories generated by a base model, which can become off-policy during finetuning and restrict performance to the quality of the base model's samples. We propose \texttt{dUltra}, an on-policy reinforcement learning framework based on Group Relative Policy Optimization (GRPO) that learns unmasking strategies for efficient parallel decoding. dUltra introduces an unmasking planner head that predicts per-token unmasking likelihoods under independent Bernoulli distributions. We jointly optimize the base diffusion LLM and the unmasking order planner using reward signals combining verifiable reward, distillation reward, and the number of unmasking steps. Across mathematical reasoning and code generation tasks, dUltra achieves superior accuracy-efficiency trade-offs compared to state-of-the-art heuristic (Fast-dLLM) and distillation baselines (d3LLM, dParallel), demonstrating that learned unmasking trajectories through on-policy RL enable better exploitation of parallel generation in MDLMs. Code and checkpoints are released at https://github.com/chinsengi/dUltra-os.
Authors: Jiesong Lian, Ruizhe Zhong, Zixiang Zhou, Xiaoyue Mi, Yixue Hao, Yuan Zhou, Qinglin Lu, Long Hu, Junchi Yan
Abstract: Post-training alignment of video generation models with human preferences is a critical goal. Developing effective Reward Models (RMs) for this process faces significant methodological hurdles. Current data collection paradigms, reliant on in-prompt pairwise annotations, suffer from labeling noise. Concurrently, the architectural design of VLM-based RMs, particularly their output mechanisms, remains underexplored. Furthermore, RM is susceptible to reward hacking in post-training. To mitigate these limitations, we propose SoliReward, a systematic framework for video RM training. Our framework first sources high-quality, cost-efficient data via single-item binary annotations, then constructs preference pairs using a cross-prompt pairing strategy. Architecturally, we employ a Hierarchical Progressive Query Attention mechanism to enhance feature aggregation. Finally, we introduce a modified BT loss that explicitly accommodates win-tie scenarios. This approach regularizes the RM's score distribution for positive samples, providing more nuanced preference signals to alleviate over-focus on a small number of top-scoring samples. Our approach is validated on benchmarks evaluating physical plausibility, subject deformity, and semantic alignment, demonstrating improvements in direct RM evaluation metrics and in the efficacy of post-training on video generation models. Code and benchmark are available at https://github.com/lian700/SoliReward
Authors: Guokan Chen, Yao Xiao, Bin Fan, Meixin Xionga, Zhicheng Lin, Yuanying Liu
Abstract: PINNs enhance scientific computing by incorporating physical laws into neural network structures, leading to significant advancements in scientific computing. However, PINNs struggle with multi-scale and high-frequency problems due to pathological gradient flow and spectral bias, which severely limit their predictive power. By combining an enhanced network architecture with a dynamically adaptive weighting mechanism featuring upper-bound constraints, we propose the Dynamic Balancing Adaptive Weighting Physics-Informed Kolmogorov-Arnold Network (DBAW-PIKAN). The proposed method effectively mitigates gradient-related failure modes and overcomes bottlenecks in function representation. Compared to baseline models, the proposed method accelerates the convergence process and improves solution accuracy by at least an order of magnitude without introducing additional computational complexity. Numerical results on the Klein-Gordon, Burgers, and Helmholtz equations demonstrate that DBAW-PIKAN achieves superior accuracy and generalization performance.
Authors: Yingru Li, Jiacai Liu, Jiawei Xu, Yuxuan Tong, Ziniu Li, Qian Liu, Baoxiang Wang
Abstract: Policy gradient methods for Large Language Models optimize a policy $\pi_\theta$ via a surrogate objective computed from samples of a rollout policy $\pi_{\text{roll}}$. However, modern LLM-RL pipelines suffer from unavoidable implementation divergences, such as backend discrepancies, Mixture-of-Experts routing discontinuities, and distributed training staleness. These factors cause an off-policy mismatch ($\pi_{\text{roll}} \neq \pi_\theta$), leading to approximation errors between the surrogate and the true objective. We demonstrate that classical trust region bounds on this error scale as $O(T^2)$ with sequence length $T$, rendering them vacuous for long-horizon tasks. To address this, we derive two new bounds: a Pinsker-Marginal bound scaling as $O(T^{3/2})$ and a Mixed bound scaling as $O(T)$. We further derive an Adaptive bound that strictly generalizes the Pinsker-Marginal bound by combining an importance-ratio decomposition of the error with an adaptive per-position application of Pinsker's inequality on the future trajectory divergence; the minimum over all three bounds is tighter than any individual bound. Crucially, all bounds depend on $D_{\mathrm{KL}}^{\mathrm{tok,max}}$, the maximum token-level KL divergence across the sequence. As a \emph{sequence-level} term, the divergence cannot be controlled by previous token-independent methods like PPO clipping. We propose Trust Region Masking (TRM), which masks entire sequences that violate the trust region. TRM enables the first non-vacuous monotonic improvement guarantees and demonstrates empirical training stability for long-horizon LLM-RL.
Authors: Yingru Li, Jiawei Xu, Jiacai Liu, Yuxuan Tong, Ziniu Li, Tianle Cai, Ge Zhang, Qian Liu, Baoxiang Wang
Abstract: Reinforcement Learning (RL) for Large Language Models (LLMs) faces a fundamental tension: the numerical divergence between high-throughput inference engines and numerically precise training engines. Although these systems share the same parameters, they produce slightly different probability distributions, creating a training-inference mismatch. We prove that the bound on the log-probability divergence arising from this mismatch scales as $(1-p)$, where $p$ is the token probability. This scaling induces a highly asymmetric effect: the bound vanishes for high-probability tokens but remains significant for low-probability tokens in the distribution tail. When sampled, these tail tokens introduce systematically biased errors that accumulate over sequences, thereby destabilizing gradient estimation. Instead of applying post-hoc corrections, we propose Dynamic Vocabulary Pruning (DVP), which constrains the RL objective to a dynamically determined ''safe'' vocabulary that excludes the extreme tail. This strategy trades large, destabilizing numerical errors for a small, bounded optimization bias. We validate DVP empirically by demonstrating stable training, and theoretically by deriving strict bounds on the induced bias.
Authors: Selim Jerad, Anej Svete, Sophie Hao, Ryan Cotterell, William Merrill
Abstract: Transformers excel empirically on tasks that process well-formed inputs according to some grammar, such as natural language and code. However, it remains unclear how they can process grammatical syntax. In fact, under standard complexity conjectures, standard transformers cannot recognize context-free languages (CFLs), a canonical formalism to describe syntax, or even regular languages, a subclass of CFLs. Past work proves that $\mathcal{O}(\log(n))$ looping layers (w.r.t. input length n) allows transformers to recognize regular languages, but the question of context-free recognition remained open. In this work, we show that looped transformers with $\mathcal{O}(\log(n))$ looping layers and $\mathcal{O}(n^6)$ padding tokens can recognize all CFLs. However, training and inference with $\mathcal{O}(n^6)$ padding tokens is potentially impractical. Fortunately, we show that, for natural subclasses such as unambiguous CFLs, the recognition problem on transformers becomes more tractable, requiring $\mathcal{O}(n^3)$ padding. We empirically validate our results and show that looping helps on a language that provably requires logarithmic depth. Overall, our results shed light on the intricacy of CFL recognition by transformers: While general recognition may require an intractable amount of padding, natural constraints such as unambiguity yield efficient recognition algorithms.
Authors: Rylan Schaeffer, Joshua Kazdan, Baber Abbasi, Ken Ziyu Liu, Brando Miranda, Ahmed Ahmed, Fazl Berez, Abhay Puri, Stella Biderman, Niloofar Mireshghallah, Sanmi Koyejo
Abstract: As frontier AI systems are pretrained on web-scale data, test set contamination has become a critical concern for accurately assessing their capabilities. While research has thoroughly investigated the impact of test set contamination on discriminative evaluations like multiple-choice question-answering, comparatively little research has studied the impact of test set contamination on generative evaluations. In this work, we quantitatively assess the effect of test set contamination on generative evaluations through the language model lifecycle. We pretrain language models on mixtures of web data and the MATH benchmark, sweeping model sizes and number of test set replicas contaminating the pretraining corpus; performance improves with contamination and model size. Using scaling laws, we make a surprising discovery: including even a single test set replica enables models to achieve lower loss than the irreducible error of training on the uncontaminated corpus. We then study further training: overtraining with fresh data reduces the effects of contamination, whereas supervised finetuning on the training set can either increase or decrease performance on test data, depending on the amount of pretraining contamination. Finally, at inference, we identify factors that modulate memorization: high sampling temperatures mitigate contamination effects, and longer solutions are exponentially more difficult to memorize than shorter ones, presenting a contrast with discriminative evaluations, where solutions are only a few tokens in length. By characterizing how generation and memorization interact, we highlight a new layer of complexity for trustworthy evaluation of AI systems.
Authors: YuanLab. ai, :, Shawn Wu, Jiangang Luo, Tong Yu, Darcy Chen, Sean Wang, Xudong Zhao, Louie Li, Claire Wang, Hunter He, Carol Wang, Allen Wang
Abstract: Although Mixture-of-Experts (MoE) Large Language Models (LLMs) deliver superior accuracy with a reduced number of active parameters, their pre-training represents a significant computationally bottleneck due to underutilized experts and limited training efficiency. This work introduces a Layer-Adaptive Expert Pruning (LAEP) algorithm designed for the pre-training stage of MoE LLMs. In contrast to previous expert pruning approaches that operate primarily in the post-training phase, the proposed algorithm enhances training efficiency by selectively pruning underutilized experts and reorganizing experts across computing devices according to token distribution statistics. Comprehensive experiments demonstrate that LAEP effectively reduces model size and substantially improves pre-training efficiency. In particular, when pre-training the Yuan3.0-1T Base model from scratch original with 1515B parameters, LAEP achieves a 48.3% improvement in training efficiency alongside a 33.3% parameter reduction, while still delivering excellent performance across multiple domains.
Authors: Shobhita Sundaram, John Quan, Ariel Kwiatkowski, Kartik Ahuja, Yann Ollivier, Julia Kempe
Abstract: Can a model learn to escape its own learning plateau? Reinforcement learning methods for finetuning large reasoning models stall on datasets with low initial success rates, and thus little training signal. We investigate a fundamental question: Can a pretrained LLM leverage latent knowledge to generate an automated curriculum for problems it cannot solve? To explore this, we design SOAR: A self-improvement framework designed to surface these pedagogical signals through meta-RL. A teacher copy of the model proposes synthetic problems for a student copy, and is rewarded with its improvement on a small subset of hard problems. Critically, SOAR grounds the curriculum in measured student progress rather than intrinsic proxy rewards. Our study on the hardest subsets of mathematical benchmarks (0/128 success) reveals three core findings. First, we show that it is possible to realize bi-level meta-RL that unlocks learning under sparse, binary rewards by sharpening a latent capacity of pretrained models to generate useful stepping stones. Second, grounded rewards outperform intrinsic reward schemes used in prior LLM self-play, reliably avoiding the instability and diversity collapse modes they typically exhibit. Third, analyzing the generated questions reveals that structural quality and well-posedness are more critical for learning progress than solution correctness. Our results suggest that the ability to generate useful stepping stones does not require the preexisting ability to actually solve the hard problems, paving a principled path to escape reasoning plateaus without additional curated data.
Authors: Mingyue Xu, Gal Vardi, Itay Safran
Abstract: We study grokking, the onset of generalization long after overfitting, in a classical ridge regression setting. We prove end-to-end grokking results for learning over-parameterized linear regression models using gradient descent with weight decay. Specifically, we prove that the following stages occur: (i) the model overfits the training data early during training; (ii) poor generalization persists long after overfitting has manifested; and (iii) the generalization error eventually becomes arbitrarily small. Moreover, we show, both theoretically and empirically, that grokking can be amplified or eliminated in a principled manner through proper hyperparameter tuning. To the best of our knowledge, these are the first rigorous quantitative bounds on the generalization delay (which we refer to as the "grokking time") in terms of training hyperparameters. Lastly, going beyond the linear setting, we empirically demonstrate that our quantitative bounds also capture the behavior of grokking on non-linear neural networks. Our results suggest that grokking is not an inherent failure mode of deep learning, but rather a consequence of specific training conditions, and thus does not require fundamental changes to the model architecture or learning algorithm to avoid.
Authors: Luca Zhou, Bo Zhao, Rose Yu, Emanuele Rodol\`a
Abstract: Model merging combines knowledge from separately fine-tuned models, yet success factors remain poorly understood. While recent work treats mergeability as an intrinsic property, we show with an architecture-agnostic framework that it fundamentally depends on both the merging method and the partner tasks. Using linear optimization over a set of interpretable pairwise metrics (e.g., gradient L2 distance), we uncover properties correlating with post-merge performance across four merging methods. We find substantial variation in success drivers (46.7% metric overlap; 55.3% sign agreement), revealing method-specific "fingerprints". Crucially, however, subspace overlap and gradient alignment metrics consistently emerge as foundational, method-agnostic prerequisites for compatibility. These findings provide a diagnostic foundation for understanding mergeability and motivate future fine-tuning strategies that explicitly encourage these properties.
Authors: Meng Ding, Zeqing Zhang, Di Wang, Lijie Hu
Abstract: Reliable data attribution is essential for mitigating bias and reducing computational waste in modern machine learning, with the Shapley value serving as the theoretical gold standard. While recent "In-Run" methods bypass the prohibitive cost of retraining by estimating contributions dynamically, they heavily rely on the linear structure of Stochastic Gradient Descent (SGD) and fail to capture the complex dynamics of adaptive optimizers like Adam. In this work, we demonstrate that data attribution is inherently optimizer-dependent: we show that SGD-based proxies diverge significantly from true contributions under Adam (Pearson $R \approx 0.11$), rendering them ineffective for modern training pipelines. To bridge this gap, we propose Adam-Aware In-Run Data Shapley. We derive a closed-form approximation that restores additivity by redefining utility under a fixed-state assumption and enable scalable computation via a novel Linearized Ghost Approximation. This technique linearizes the variance-dependent scaling term, allowing us to compute pairwise gradient dot-products without materializing per-sample gradients. Extensive experiments show that our method achieves near-perfect fidelity to ground-truth marginal contributions ($R > 0.99$) while retaining $\sim$95\% of standard training throughput. Furthermore, our Adam-aware attribution significantly outperforms SGD-based baselines in data attribution downstream tasks.
Authors: Hao Ma, Melis Ilayda Bal, Liang Zhang, Bingcong Li, Niao He, Melanie Zeilinger, Michael Muehlebach
Abstract: Modern large language models are increasingly deployed under compute and memory constraints, making flexible control of model capacity a central challenge. While sparse and low-rank structures naturally trade off capacity and performance, existing approaches often rely on heuristic designs that ignore layer and matrix heterogeneity or require model-specific architectural modifications. We propose SALAAD, a plug-and-play framework applicable to different model architectures that induces sparse and low-rank structures during training. By formulating structured weight learning under an augmented Lagrangian framework and introducing an adaptive controller that dynamically balances the training loss and structural constraints, SALAAD preserves the stability of standard training dynamics while enabling explicit control over the evolution of effective model capacity during training. Experiments across model scales show that SALAAD substantially reduces memory consumption during deployment while achieving performance comparable to ad-hoc methods. Moreover, a single training run yields a continuous spectrum of model capacities, enabling smooth and elastic deployment across diverse memory budgets without the need for retraining.
Authors: Abhijit Gupta
Abstract: Drug discovery motivates efficient molecular property prediction under limited labeled data. Chemical space is vast, often estimated at approximately 10^60 drug-like molecules, while only thousands of drugs have been approved. As a result, self-supervised pretraining on large unlabeled molecular corpora has become essential for data-efficient molecular representation learning. We introduce **CardinalGraphFormer**, a graph transformer that incorporates Graphormer-inspired structural biases, including shortest-path distance and centrality, as well as direct-bond edge bias, within a structured sparse attention regime limited to shortest-path distance <= 3. The model further augments this design with a cardinality-preserving unnormalized aggregation channel over the same support set. Pretraining combines contrastive graph-level alignment with masked attribute reconstruction. Under a fully matched evaluation protocol, CardinalGraphFormer improves mean performance across all 11 evaluated tasks and achieves statistically significant gains on 10 of 11 public benchmarks spanning MoleculeNet, OGB, and TDC ADMET tasks when compared to strong reproduced baselines.
Authors: Xianglong Yan, ChengZhu Bao, Zhiteng Li, Tianao Zhang, Shaoqiu Zhang, Ruobing Xie, Samm Sun, Yulun Zhang
Abstract: Large language models (LLMs) deliver strong performance, but their high compute and memory costs make deployment difficult in resource-constrained scenarios. Weight-only post-training quantization (PTQ) is appealing, as it reduces memory usage and enables practical speedup without low-bit operators or specialized hardware. However, accuracy often degrades significantly in weight-only PTQ at sub-4-bit precision, and our analysis identifies two main causes: (1) down-projection matrices are a well-known quantization bottleneck, but maintaining their fidelity often requires extra bit-width; (2) weight quantization induces activation deviations, but effective correction strategies remain underexplored. To address these issues, we propose D$^2$Quant, a novel weight-only PTQ framework that improves quantization from both the weight and activation perspectives. On the weight side, we design a Dual-Scale Quantizer (DSQ) tailored to down-projection matrices, with an absorbable scaling factor that significantly improves accuracy without increasing the bit budget. On the activation side, we propose Deviation-Aware Correction (DAC), which incorporates a mean-shift correction within LayerNorm to mitigate quantization-induced activation distribution shifts. Extensive experiments across multiple LLM families and evaluation metrics show that D$^2$Quant delivers superior performance for weight-only PTQ at sub-4-bit precision. The code and models will be available at https://github.com/XIANGLONGYAN/D2Quant.
Authors: Zhiyuan Yao, Yi-Kai Zhang, Yuxin Chen, Yueqing Sun, Zishan Xu, Yu Yang, Tianhao Hu, Qi Gu, Hui Su, Xunliang Cai
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a key approach for enhancing LLM reasoning. However, standard frameworks like Group Relative Policy Optimization (GRPO) typically employ a uniform rollout budget, leading to resource inefficiency. Moreover, existing adaptive methods often rely on instance-level metrics, such as task pass rates, failing to capture the model's dynamic learning state. To address these limitations, we propose CoBA-RL, a reinforcement learning algorithm designed to adaptively allocate rollout budgets based on the model's evolving capability. Specifically, CoBA-RL utilizes a Capability-Oriented Value function to map tasks to their potential training gains and employs a heap-based greedy strategy to efficiently self-calibrate the distribution of computational resources to samples with high training value. Extensive experiments demonstrate that our approach effectively orchestrates the trade-off between exploration and exploitation, delivering consistent generalization improvements across multiple challenging benchmarks. These findings underscore that quantifying sample training value and optimizing budget allocation are pivotal for advancing LLM post-training efficiency.
Authors: Mehdi Lotfian, Mohammad Jalali, Farzan Farnia
Abstract: Prompt-guided generative AI models have rapidly expanded across vision and language domains, producing realistic and diverse outputs from textual inputs. The growing variety of such models, trained with different data and architectures, calls for principled methods to identify which types of prompts lead to distinct model behaviors. In this work, we propose PromptSplit, a kernel-based framework for detecting and analyzing prompt-dependent disagreement between generative models. For each compared model pair, PromptSplit constructs a joint prompt--output representation by forming tensor-product embeddings of the prompt and image (or text) features, and then computes the corresponding kernel covariance matrix. We utilize the eigenspace of the weighted difference between these matrices to identify the main directions of behavioral difference across prompts. To ensure scalability, we employ a random-projection approximation that reduces computational complexity to $O(nr^2 + r^3)$ for projection dimension $r$. We further provide a theoretical analysis showing that this approximation yields an eigenstructure estimate whose expected deviation from the full-dimensional result is bounded by $O(1/r^2)$. Experiments across text-to-image, text-to-text, and image-captioning settings demonstrate that PromptSplit accurately detects ground-truth behavioral differences and isolates the prompts responsible, offering an interpretable tool for detecting where generative models disagree.
Authors: Kevin Zhai, Sabbir Mollah, Zhenyi Wang, Mubarak Shah
Abstract: Standard decoding in Masked Diffusion Models (MDMs) is hindered by context rigidity: tokens are retained based on transient high confidence, often ignoring that early predictions lack full context. This creates cascade effects where initial inconsistencies misguide the remaining generation. Existing revision strategies attempt to mitigate this by relying on static confidence scores, but these signals are inherently myopic; inconsistent tokens can appear confident to the model itself. We propose Context-Robust Remasking (CORE), a training-free framework for inference-time revision. Rather than trusting static token probabilities, CORE identifies context-brittle tokens by probing their sensitivity to targeted masked-context perturbations. We formalize revision as a robust optimization objective over context shifts and efficiently approximate this objective to prioritize unstable tokens for revision. On LLaDA-8B-Base, CORE delivers consistent improvements across reasoning and code benchmarks, outperforming compute-matched baselines and improving MBPP by up to 9.2 percentage points.
Authors: Doyeon Lee, Eunyi Lyou, Hyunsoo Cho, Sookyung Kim, Joonseok Lee, Jaemoo Choi
Abstract: GRPO-style reinforcement learning (RL)-based LLM fine-tuning algorithms have recently gained popularity. Relying on heuristic trust-region approximations, however, they can lead to brittle optimization behavior, as global importance-ratio clipping and group-wise normalization fail to regulate samples whose importance ratios fall outside the clipping range. We propose Query-Adaptive Trust-Region policy Optimization (QUATRO), which directly enforces trust-region constraints through a principled optimization. This yields a clear and interpretable objective that enables explicit control over policy updates and stable, entropy-controlled optimization, with a stabilizer terms arising intrinsically from the exact trust-region formulation. Empirically verified on diverse mathematical reasoning benchmarks, QUATRO shows stable training under increased policy staleness and aggressive learning rates, maintaining well-controlled entropy throughout training.
Authors: Mingyang Deng, He Li, Tianhong Li, Yilun Du, Kaiming He
Abstract: Generative modeling can be formulated as learning a mapping f such that its pushforward distribution matches the data distribution. The pushforward behavior can be carried out iteratively at inference time, for example in diffusion and flow-based models. In this paper, we propose a new paradigm called Drifting Models, which evolve the pushforward distribution during training and naturally admit one-step inference. We introduce a drifting field that governs the sample movement and achieves equilibrium when the distributions match. This leads to a training objective that allows the neural network optimizer to evolve the distribution. In experiments, our one-step generator achieves state-of-the-art results on ImageNet at 256 x 256 resolution, with an FID of 1.54 in latent space and 1.61 in pixel space. We hope that our work opens up new opportunities for high-quality one-step generation.
Authors: Long Zhang, Fangwei Lin
Abstract: Large Language Models (LLMs) frequently prioritize conflicting in-context information over pre-existing parametric memory, a phenomenon often termed sycophancy or compliance. However, the mechanistic realization of this behavior remains obscure, specifically how the model resolves these knowledge conflicts through compliance, and whether this suppression arises from signal magnitude dilution or directional geometric alteration within the residual stream. To resolve this, we conducted a layer-wise geometric analysis across Qwen-3-4B, Llama-3.1-8B, and GLM-4-9B, decomposing the residual stream updates induced by counter-factual contexts into radial (norm-based) and angular (cosine-based) components. Our empirical results reject the universality of the "Manifold Dilution" hypothesis, as two of the three architectures maintained stable residual norms despite exhibiting significant performance degradation on factual queries. Instead, we observed that compliance is consistently characterized by "Orthogonal Interference," where the conflicting context injects a steering vector that is quasi-orthogonal to the ground-truth direction, effectively rotating the hidden state representation. This suggests that models do not "unlearn" or suppress the magnitude of internal truths but rather employ a mechanism of geometric displacement to bypass the correct unembedding vector, effectively simulating adoption while preserving the original structural magnitude. These findings challenge scalar confidence metrics for detecting hallucinations and underscore the necessity of vectorial monitoring to distinguish between genuine knowledge integration and superficial in-context mimicry.
Authors: Ruizhe Zhong, Jiesong Lian, Xiaoyue Mi, Zixiang Zhou, Yuan Zhou, Qinglin Lu, Junchi Yan
Abstract: While online Reinforcement Learning has emerged as a crucial technique for aligning flow matching models with human preferences, current approaches are hindered by inefficient exploration during training rollouts. Relying on undirected stochasticity and sparse outcome rewards, these methods struggle to discover high-reward samples, resulting in data-inefficient and slow optimization. To address these limitations, we propose Euphonium, a novel framework that steers generation via process reward gradient guided dynamics. Our key insight is to formulate the sampling process as a theoretically principled Stochastic Differential Equation that explicitly incorporates the gradient of a Process Reward Model into the flow drift. This design enables dense, step-by-step steering toward high-reward regions, advancing beyond the unguided exploration in prior works, and theoretically encompasses existing sampling methods (e.g., Flow-GRPO, DanceGRPO) as special cases. We further derive a distillation objective that internalizes the guidance signal into the flow network, eliminating inference-time dependency on the reward model. We instantiate this framework with a Dual-Reward Group Relative Policy Optimization algorithm, combining latent process rewards for efficient credit assignment with pixel-level outcome rewards for final visual fidelity. Experiments on text-to-video generation show that Euphonium achieves better alignment compared to existing methods while accelerating training convergence by 1.66x. Our code is available at https://github.com/zerzerzerz/Euphonium
Authors: Itai Zilberstein, Ioannis Anagnostides, Zachary W. Sollie, Arman Kilic, Tuomas Sandholm
Abstract: Online matching has been a mainstay in domains such as Internet advertising and organ allocation, but practical algorithms often lack strong theoretical guarantees. We take an important step toward addressing this by developing new online matching algorithms based on a coarsening approach. Although coarsening typically implies a loss of granularity, we show that, to the contrary, aggregating offline nodes into capacitated clusters can yield near-optimal theoretical guarantees. We apply our methodology to heart transplant allocation to develop theoretically grounded policies based on structural properties of historical data. Furthermore, in simulations based on real data, our policy closely matches the performance of the omniscient benchmark, achieving competitive ratio 0.91, drastically higher than the US status quo policy's 0.51. Our work bridges the gap between data-driven heuristics and pessimistic theoretical lower bounds.
Authors: Ioannis Anagnostides, Itai Zilberstein, Zachary W. Sollie, Arman Kilic, Tuomas Sandholm
Abstract: The allocation of scarce donor organs constitutes one of the most consequential algorithmic challenges in healthcare. While the field is rapidly transitioning from rigid, rule-based systems to machine learning and data-driven optimization, we argue that current approaches often overlook a fundamental barrier: incentives. In this position paper, we highlight that organ allocation is not merely an optimization problem, but rather a complex game involving organ procurement organizations, transplant centers, clinicians, patients, and regulators. Focusing on US adult heart transplant allocation, we identify critical incentive misalignments across the decision-making pipeline, and present data showing that they are having adverse consequences today. Our main position is that the next generation of allocation policies should be incentive aware. We outline a research agenda for the machine learning community, calling for the integration of mechanism design, strategic classification, causal inference, and social choice to ensure robustness, efficiency, fairness, and trust in the face of strategic behavior from the various constituent groups.
Authors: John Yan, Michael Yu, Yuqi Sun, Alexander Duffy, Tyler Marques, Matthew Lyle Olson
Abstract: Large language models (LLMs) are increasingly trained in complex Reinforcement Learning, multi-agent environments, making it difficult to understand how behavior changes over training. Sparse Autoencoders (SAEs) have recently shown to be useful for data-centric interpretability. In this work, we analyze large-scale reinforcement learning training runs from the sophisticated environment of Full-Press Diplomacy by applying pretrained SAEs, alongside LLM-summarizer methods. We introduce Meta-Autointerp, a method for grouping SAE features into interpretable hypotheses about training dynamics. We discover fine-grained behaviors including role-playing patterns, degenerate outputs, language switching, alongside high-level strategic behaviors and environment-specific bugs. Through automated evaluation, we validate that 90% of discovered SAE Meta-Features are significant, and find a surprising reward hacking behavior. However, through two user studies, we find that even subjectively interesting and seemingly helpful SAE features may be worse than useless to humans, along with most LLM generated hypotheses. However, a subset of SAE-derived hypotheses are predictively useful for downstream tasks. We further provide validation by augmenting an untrained agent's system prompt, improving the score by +14.2%. Overall, we show that SAEs and LLM-summarizer provide complementary views into agent behavior, and together our framework forms a practical starting point for future data-centric interpretability work on ensuring trustworthy LLM behavior throughout training.
Authors: Changhoon Song, Teng Yuan Chang, Youngjoon Hong
Abstract: Accurate forecasting of extreme weather events such as heavy rainfall or storms is critical for risk management and disaster mitigation. Although high-resolution radar observations have spurred extensive research on nowcasting models, precipitation nowcasting remains particularly challenging due to pronounced spatial locality, intricate fine-scale rainfall structures, and variability in forecasting horizons. While recent diffusion-based generative ensembles show promising results, they are computationally expensive and unsuitable for real-time applications. In contrast, deterministic models are computationally efficient but remain biased toward normal rainfall. Furthermore, the benchmark datasets commonly used in prior studies are themselves skewed--either dominated by ordinary rainfall events or restricted to extreme rainfall episodes--thereby hindering general applicability in real-world settings. In this paper, we propose exPreCast, an efficient deterministic framework for generating finely detailed radar forecasts, and introduce a newly constructed balanced radar dataset from the Korea Meteorological Administration (KMA), which encompasses both ordinary precipitation and extreme events. Our model integrates local spatiotemporal attention, a texture-preserving cubic dual upsampling decoder, and a temporal extractor to flexibly adjust forecasting horizons. Experiments on established benchmarks (SEVIR and MeteoNet) as well as on the balanced KMA dataset demonstrate that our approach achieves state-of-the-art performance, delivering accurate and reliable nowcasts across both normal and extreme rainfall regimes.
Authors: Pengyi Li, Elizaveta Goncharova, Andrey Kuznetsov, Ivan Oseledets
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as an indispensable paradigm for enhancing reasoning in Large Language Models (LLMs). However, standard policy optimization methods, such as Group Relative Policy Optimization (GRPO), often converge to low-entropy policies, leading to severe mode collapse and limited output diversity. We analyze this issue from the perspective of sampling probability dynamics, identifying that the standard objective disproportionately reinforces the highest-likelihood paths, thereby suppressing valid alternative reasoning chains. To address this, we propose a novel Advantage Re-weighting Mechanism (ARM) designed to equilibrate the confidence levels across all correct responses. By incorporating Prompt Perplexity and Answer Confidence into the advantage estimation, our method dynamically reshapes the reward signal to attenuate the gradient updates of over-confident reasoning paths, while redistributing probability mass toward under-explored correct solutions. Empirical results demonstrate that our approach significantly enhances generative diversity and response entropy while maintaining competitive accuracy, effectively achieving a superior trade-off between exploration and exploitation in reasoning tasks. Empirical results on Qwen2.5 and DeepSeek models across mathematical and coding benchmarks show that ProGRPO significantly mitigates entropy collapse. Specifically, on Qwen2.5-7B, our method outperforms GRPO by 5.7% in Pass@1 and, notably, by 13.9% in Pass@32, highlighting its superior capability in generating diverse correct reasoning paths.
Authors: Adda Akram Bendoukha, Aymen Boudguiga, Nesrine Kaaniche, Renaud Sirdey, Didem Demirag, S\'ebastien Gambs
Abstract: Federated Learning (FL) aims to train a collaborative model while preserving data privacy. However, the distributed nature of this approach still raises privacy and security issues, such as the exposure of sensitive data due to inference attacks and the influence of Byzantine behaviors on the trained model. In particular, achieving both secure aggregation and Byzantine resilience remains challenging, as existing solutions often address these aspects independently. In this work, we propose to address these challenges through a novel approach that combines homomorphic encryption for privacy-preserving aggregation with property-inference-inspired meta-classifiers for Byzantine filtering. First, following the property-inference attacks blueprint, we train a set of filtering meta-classifiers on labeled shadow updates, reproducing a diverse ensemble of Byzantine misbehaviors in FL, including backdoor, gradient-inversion, label-flipping and shuffling attacks. The outputs of these meta-classifiers are then used to cancel the Byzantine encrypted updates by reweighting. Second, we propose an automated method for selecting the optimal kernel and the dimensionality hyperparameters with respect to homomorphic inference, aggregation constraints and efficiency over the CKKS cryptosystem. Finally, we demonstrate through extensive experiments the effectiveness of our approach against Byzantine participants on the FEMNIST, CIFAR10, GTSRB, and acsincome benchmarks. More precisely, our SVM filtering achieves accuracies between $90$% and $94$% for identifying Byzantine updates at the cost of marginal losses in model utility and encrypted inference runtimes ranging from $6$ to $24$ seconds and from $9$ to $26$ seconds for an overall aggregation.
Authors: Sheshansh Agrawal, Thien Hang Nguyen, Douwe Kiela
Abstract: Selecting the top $m$ from $n$ items via expensive $k$-wise comparisons is fundamental to settings ranging from LLM-based document reranking to crowdsourced evaluation and tournament design. Existing methods either rely on heuristics that fail to fully exploit the information each comparison reveals, or are inefficient when they do. We introduce a tournament graph framework that provides a principled foundation for $k$-wise ranking. Our key observation is that each $k$-item comparison reveals a complete tournament of $\binom{k}{2}$ pairwise preferences; aggregating these into a global preference graph and computing its transitive closure yields many additional orderings without further oracle calls. We formalize when an item's rank is certifiably determined and design a greedy query schedule that maximizes information gain towards identifying the top-$m$ items. The framework also gracefully handles non-transitive preferences (cycles induced by real-world oracles) by collapsing them into equivalence classes that yield principled tiered rankings. Applied to LLM reranking across 14 benchmarks and 5 models, our method achieves Pareto dominance over existing approaches: matching or exceeding accuracy while requiring 25-40% fewer tokens than comparable methods, and $7\times$ fewer than pairwise reranking at near-identical quality.
Authors: Lixuan Guo, Yifei Wang, Tiansheng Wen, Yifan Wang, Aosong Feng, Bo Chen, Stefanie Jegelka, Chenyu You
Abstract: In the era of large foundation models, the quality of embeddings has become a central determinant of downstream task performance and overall system capability. Yet widely used dense embeddings are often extremely high-dimensional, incurring substantial costs in storage, memory, and inference latency. To address these, Contrastive Sparse Representation (CSR) is recently proposed as a promising direction, mapping dense embeddings into high-dimensional but k-sparse vectors, in contrast to compact dense embeddings such as Matryoshka Representation Learning (MRL). Despite its promise, CSR suffers severe degradation in the ultra-sparse regime, where over 80% of neurons remain inactive, leaving much of its efficiency potential unrealized. In this paper, we introduce CSRv2, a principled training approach designed to make ultra-sparse embeddings viable. CSRv2 stabilizes sparsity learning through progressive k-annealing, enhances representational quality via supervised contrastive objectives, and ensures end-to-end adaptability with full backbone finetuning. CSRv2 reduces dead neurons from 80% to 20% and delivers a 14% accuracy gain at k=2, bringing ultra-sparse embeddings on par with CSR at k=8 and MRL at 32 dimensions, all with only two active features. While maintaining comparable performance, CSRv2 delivers a 7x speedup over MRL, and yields up to 300x improvements in compute and memory efficiency relative to dense embeddings in text representation. Extensive experiments across text and vision demonstrate that CSRv2 makes ultra-sparse embeddings practical without compromising performance, where CSRv2 achieves 7%/4% improvement over CSR when k=4 and further increases this gap to 14%/6% when k=2 in text/vision representation. By making extreme sparsity viable, CSRv2 broadens the design space for real-time and edge-deployable AI systems where both embedding quality and efficiency are critical.
Authors: Roger Girgis, Rodrigue de Schaetzen, Luke Rowe, Azal\'ee Robitaille, Christopher Pal, Liam Paull
Abstract: While Group Relative Policy Optimization (GRPO) has emerged as a scalable framework for critic-free policy learning, extending it to settings with explicit behavioral constraints remains underexplored. We introduce Constrained GRPO, a Lagrangian-based extension of GRPO for constrained policy optimization. Constraints are specified via indicator cost functions, enabling direct optimization of violation rates through a Lagrangian relaxation. We show that a naive multi-component treatment in advantage estimation can break constrained learning: mismatched component-wise standard deviations distort the relative importance of the different objective terms, which in turn corrupts the Lagrangian signal and prevents meaningful constraint enforcement. We formally derive this effect to motivate our scalarized advantage construction that preserves the intended trade-off between reward and constraint terms. Experiments in a toy gridworld confirm the predicted optimization pathology and demonstrate that scalarizing advantages restores stable constraint control. In addition, we evaluate Constrained GRPO on robotics tasks, where it improves constraint satisfaction while increasing task success, establishing a simple and effective recipe for constrained policy optimization in embodied AI domains that increasingly rely on large multimodal foundation models.
Authors: Wei Liu, Jiawei Xu, Yingru Li, Longtao Zheng, Tianjian Li, Qian Liu, Junxian He
Abstract: High-quality kernel is critical for scalable AI systems, and enabling LLMs to generate such code would advance AI development. However, training LLMs for this task requires sufficient data, a robust environment, and the process is often vulnerable to reward hacking and lazy optimization. In these cases, models may hack training rewards and prioritize trivial correctness over meaningful speedup. In this paper, we systematically study reinforcement learning (RL) for kernel generation. We first design KernelGYM, a robust distributed GPU environment that supports reward hacking check, data collection from multi-turn interactions and long-term RL training. Building on KernelGYM, we investigate effective multi-turn RL methods and identify a biased policy gradient issue caused by self-inclusion in GRPO. To solve this, we propose Turn-level Reinforce-Leave-One-Out (TRLOO) to provide unbiased advantage estimation for multi-turn RL. To alleviate lazy optimization, we incorporate mismatch correction for training stability and introduce Profiling-based Rewards (PR) and Profiling-based Rejection Sampling (PRS) to overcome the issue. The trained model, Dr Kernel-14B, reaches performance competitive with Claude-4.5-Sonnet in Kernelbench. Finally, we study sequential test-time scaling for Dr Kernel-14B. On the KernelBench Level-2 subset, 31.6% of the generated kernels achieve at least a 1.2x speedup over the Torch reference, surpassing Claude-4.5-Sonnet (26.7%) and GPT-5 (28.6%). When selecting the best candidate across all turns, this 1.2x speedup rate further increases to 47.8%. All resources, including environment, training code, models, and dataset, are included in https://www.github.com/hkust-nlp/KernelGYM.
Authors: Jun Lu
Abstract: The sole aim of this book is to give a self-contained introduction to concepts and mathematical tools in Bayesian matrix decomposition in order to seamlessly introduce matrix decomposition techniques and their applications in subsequent sections. However, we clearly realize our inability to cover all the useful and interesting results concerning Bayesian matrix decomposition and given the paucity of scope to present this discussion, e.g., the separated analysis of variational inference for conducting the optimization. We refer the reader to literature in the field of Bayesian analysis for a more detailed introduction to the related fields. This book is primarily a summary of purpose, significance of important Bayesian matrix decomposition methods, e.g., real-valued decomposition, nonnegative matrix factorization, Bayesian interpolative decomposition, and the origin and complexity of the methods which shed light on their applications. The mathematical prerequisite is a first course in statistics and linear algebra. Other than this modest background, the development is self-contained, with rigorous proof provided throughout.
Authors: Syamantak Kumar, Purnamrita Sarkar, Peter Bickel, Derek Bean
Abstract: Independent Component Analysis (ICA) was introduced in the 1980's as a model for Blind Source Separation (BSS), which refers to the process of recovering the sources underlying a mixture of signals, with little knowledge about the source signals or the mixing process. While there are many sophisticated algorithms for estimation, different methods have different shortcomings. In this paper, we develop a nonparametric score to adaptively pick the right algorithm for ICA with arbitrary Gaussian noise. The novelty of this score stems from the fact that it just assumes a finite second moment of the data and uses the characteristic function to evaluate the quality of the estimated mixing matrix without any knowledge of the parameters of the noise distribution. In addition, we propose some new contrast functions and algorithms that enjoy the same fast computability as existing algorithms like FASTICA and JADE but work in domains where the former may fail. While these also may have weaknesses, our proposed diagnostic, as shown by our simulations, can remedy them. Finally, we propose a theoretical framework to analyze the local and global convergence properties of our algorithms.
Authors: Juhyeon Shin, Yujin Oh, Jonghyun Lee, Saehyung Lee, Minjun Park, Dongjun Lee, Uiwon Hwang, Sungroh Yoon
Abstract: Test-Time Adaptation (TTA) adapts pre-trained models using only unlabeled test streams, requiring real-time inference and update without access to source data. We propose StructuralTest-time Alignment of Gradients (STAG), a lightweight plug-in enhancer that exploits an always-available structural signal: the classifier's intrinsic geometry. STAG derives class-wise structural anchors from classifier weights via self-structural entropy, and during adaptation analytically computes the predicted-class entropy gradient from forward-pass quantities, aligning it to the corresponding anchor with a cosine-similarity loss. This closed-form design incurs near-zero memory and latency overhead and requires no additional backpropagation beyond the underlying baseline. Across corrupted image classification and continual semantic segmentation, STAG provides broadly applicable performance gains for strong TTA baselines on both CNN and Transformer architectures regardless of the underlying normalization scheme, with particularly large gains under challenging online regimes such as imbalanced label shifts, single-sample adaptation, mixed corruption streams and long-horizon continual TTA.
Authors: Georg Rabenstein, Lars Ullrich, Knut Graichen
Abstract: Alongside optimization-based planners, sampling-based approaches are often used in trajectory planning for autonomous driving due to their simplicity. Model predictive path integral control is a framework that builds upon optimization principles while incorporating stochastic sampling of input trajectories. This paper investigates several sampling approaches for trajectory generation. In this context, normalizing flows originating from the field of variational inference are considered for the generation of sampling distributions, as they model transformations of simple to more complex distributions. Accordingly, learning-based normalizing flow models are trained for a more efficient exploration of the input domain for the task at hand. The developed algorithm and the proposed sampling distributions are evaluated in two simulation scenarios.
Authors: Zhenxi Song, Ruihan Qin, Huixia Ren, Zhen Liang, Yi Guo, Min Zhang, Zhiguo Zhang
Abstract: Cross-center data heterogeneity and annotation unreliability significantly challenge the intelligent diagnosis of diseases using brain signals. A notable example is the EEG-based diagnosis of neurodegenerative diseases, which features subtler abnormal neural dynamics typically observed in small-group settings. To advance this area, in this work, we introduce a transferable framework employing Manifold Attention and Confidence Stratification (MACS) to diagnose neurodegenerative disorders based on EEG signals sourced from four centers with unreliable annotations. The MACS framework's effectiveness stems from these features: 1) The Augmentor generates various EEG-represented brain variants to enrich the data space; 2) The Switcher enhances the feature space for trusted samples and reduces overfitting on incorrectly labeled samples; 3) The Encoder uses the Riemannian manifold and Euclidean metrics to capture spatiotemporal variations and dynamic synchronization in EEG; 4) The Projector, equipped with dual heads, monitors consistency across multiple brain variants and ensures diagnostic accuracy; 5) The Stratifier adaptively stratifies learned samples by confidence levels throughout the training process; 6) Forward and backpropagation in MACS are constrained by confidence stratification to stabilize the learning system amid unreliable annotations. Our subject-independent experiments, conducted on both neurocognitive and movement disorders using cross-center corpora, have demonstrated superior performance compared to existing related algorithms. This work not only improves EEG-based diagnostics for cross-center and small-setting brain diseases but also offers insights into extending MACS techniques to other data analyses, tackling data heterogeneity and annotation unreliability in multimedia and multimodal content understanding.
Authors: Mehrdad Pournaderi, Yu Xiang
Abstract: Conformal prediction methodology has recently been extended to the covariate shift setting, where the distribution of covariates differs between training and test data. While existing results ensure that the prediction sets from these methods achieve marginal coverage above a nominal level, their coverage rate conditional on the training dataset (referred to as training-conditional coverage) remains unexplored. In this paper, we address this gap by deriving upper bounds on the tail of the training-conditional coverage distribution, offering probably approximately correct (PAC) guarantees for these methods. Our results characterize the reliability of the prediction sets in terms of the severity of distributional changes and the size of the training dataset.
Authors: Jakub Houl\'ik, Jan Valentin, V\'aclav Ne\v{z}erka
Abstract: Asphalt concrete's (AC) durability and maintenance demands are strongly influenced by its fatigue life. Traditional methods for determining this characteristic are both resource-intensive and time-consuming. This study employs artificial neural networks (ANNs) to predict AC fatigue life, focusing on the impact of strain level, binder content, and air-void content. Leveraging a substantial dataset, we tailored our models to effectively handle the wide range of fatigue life data, typically represented on a logarithmic scale. The mean square logarithmic error was utilized as the loss function to enhance prediction accuracy across all levels of fatigue life. Through comparative analysis of various hyperparameters, we developed a machine-learning model that captures the complex relationships within the data. Our findings demonstrate that higher binder content significantly enhances fatigue life, while the influence of air-void content is more variable, depending on binder levels. Most importantly, this study provides insights into the intricacies of using ANNs for modeling, showcasing their potential utility with larger datasets. The codes developed and the data used in this study are provided as open source on a GitHub repository, with a link included in the paper for full access.
Authors: Atefeh Termehchi, Ekram Hossain, Angelo Vera-Rivera, Muhammad Ibrahim, Isaac Woungang
Abstract: Recent advances in computational infrastructure and large-scale data processing have accelerated the adoption of data-driven inference methods, particularly deep learning (DL), to solve problems in many scientific and engineering domains. In wireless systems, DL has been applied to problems where analytical modeling or optimization is difficult to formulate, relies on oversimplified assumptions, or becomes computationally intractable. However, conventional DL models are often regarded as non-transparent, as their internal reasoning mechanisms are difficult to interpret even when model parameters are fully accessible. This lack of transparency undermines trust and leads to three interrelated challenges: limited interpretability, weak generalization, and the absence of a principled framework for parameter tuning. Science-informed deep learning (ScIDL) has emerged as a promising paradigm to address these limitations by integrating scientific knowledge into deep learning pipelines. This integration enables more precise characterization of model behavior and provides clearer explanations of how and why DL models succeed or fail. Despite growing interest, the existing literature remains fragmented and lacks a unifying taxonomy. This tutorial presents a structured overview of ScIDL methods and their applications in wireless systems. We introduce a structured taxonomy that organizes the ScIDL landscape, present two representative case studies illustrating its use in challenging wireless problems, and discuss key challenges and open research directions. The pedagogical structure guides readers from foundational concepts to advanced applications, making the tutorial accessible to researchers in wireless communications without requiring prior expertise in AI.
Authors: Dengfei Zeng, Lijian Jiang
Abstract: In this paper, we present a new ensemble-based filter method by reconstructing the analysis step of the particle filter through a transport map, which directly transports prior particles to posterior particles. The transport map is constructed through an optimization problem described by the Maximum Mean Discrepancy loss function, which matches the expectation information of the approximated posterior and reference posterior. The proposed method inherits the accurate estimation of the posterior distribution from particle filtering while gives an extension to high dimensional assimilation problems. To improve the robustness of Maximum Mean Discrepancy, a variance penalty term is used to guide the optimization. It prioritizes minimizing the discrepancy between the expectations of highly informative statistics for the reference posteriors. The penalty term significantly enhances the robustness of the proposed method and leads to a better approximation of the posterior. A few numerical examples are presented to illustrate the advantage of the proposed method over ensemble Kalman filter.
Authors: Zhi-Song Liu, Markus B\"uttner, Matthew Scarborough, Eirik Valseth, Vadym Aizinger, Bernhard Kainz, Andreas Rupp
Abstract: Learning the fine-scale details of a coastal ocean simulation from a coarse representation is a challenging task. For real-world applications, high-resolution simulations are necessary to advance understanding of many coastal processes, specifically, to predict flooding resulting from tsunamis and storm surges. We propose a Downscaling Neural Network for Coastal Simulation (DNNCS) for spatiotemporal enhancement to learn the high-resolution numerical solution. Given images of coastal simulations produced on low-resolution computational meshes using low polynomial order discontinuous Galerkin discretizations and a coarse temporal resolution, the proposed DNNCS learns to produce high-resolution free surface elevation and velocity visualizations in both time and space. To model the dynamic changes over time and space, we propose grid-aware spatiotemporal attention to project the temporal features to the spatial domain for non-local feature matching. The coordinate information is also utilized via positional encoding. For the final reconstruction, we use the spatiotemporal bilinear operation to interpolate the missing frames and then expand the feature maps to the frequency domain for residual mapping. Besides data-driven losses, the proposed physics-informed loss guarantees gradient consistency and momentum changes, leading to a 24% reduction in root-mean-square error compared to the model trained with only data-driven losses. To train the proposed model, we propose a coastal simulation dataset and use it for model optimization and evaluation. Our method shows superior downscaling quality and fast computation compared to the state-of-the-art methods.
Authors: Jeremy Kulcsar, Vyacheslav Kungurtsev, Georgios Korpas, Giulio Giaconi, William Shoosmith
Abstract: We study distributed Sinkhorn iterations for entropy-regularized optimal transport when the Gibbs kernel operator is row-partitioned across c workers and cannot be centralized. We present Federated Sinkhorn, two exact synchronous protocols that exchange only scaling-vector slices: (i) an All-to-All scheme implemented by Allgather, and (ii) a Star (parameter-server) scheme implemented by client to server sends and server to client broadcasts. For both, we derive closed-form per-iteration compute, communication, and memory costs under an alpha-beta latency--bandwidth model, and show that the distributed iterates match centralized Sinkhorn under standard positivity assumptions. Multi-node CPU/GPU experiments validate the model and show that repeated global scaling exchange quickly becomes the dominant bottleneck as c increases. We also report an optional bounded-delay asynchronous schedule and an optional privacy measurement layer for communicated log-scalings.
Authors: Ziwei Chen, Jiawen Shen, Luna, Hanyu Zhang, Kristen Vaccaro
Abstract: Recent work has shown that front-end code generated by Large Language Models (LLMs) can embed deceptive designs. To assess the magnitude of this problem, identify the factors that influence deceptive design production, and test strategies for reducing deceptive designs, we carried out two studies which generated and analyzed 1,296 LLM-generated web components, along with a design rationale for each. The first study tested four LLMs for 15 common ecommerce components. Overall 55.8% of components contained at least one deceptive design, and 30.6% contained two or more. Occurence varied significantly across models, with DeepSeek-V3 producing the fewest. Interface interference emerged as the dominant strategy, using color psychology to influence actions and hiding essential information. The first study found that prompts emphasizing business interests (e.g., increasing sales) significantly increased deceptive designs, so a second study tested a variety of prompting strategies to reduce their frequency, finding a values-centered approach the most effective. Our findings highlight risks in using LLMs for coding and offer recommendations for LLM developers and providers.
Authors: Jensen Gao, Suneel Belkhale, Sudeep Dasari, Ashwin Balakrishna, Dhruv Shah, Dorsa Sadigh
Abstract: Machine learning for robot manipulation promises to unlock generalization to novel tasks and environments. But how should we measure the progress of these policies towards generalization? Evaluating and quantifying generalization is the Wild West of modern robotics, with each work proposing and measuring different types of generalization in their own, often difficult to reproduce settings. In this work, our goal is (1) to outline the forms of generalization we believe are important for robot manipulation in a comprehensive and fine-grained manner, and (2) to provide reproducible guidelines for measuring these notions of generalization. We first propose STAR-Gen, a taxonomy of generalization for robot manipulation structured around visual, semantic, and behavioral generalization. Next, we instantiate STAR-Gen with two case studies on real-world benchmarking: one based on open-source models and the Bridge V2 dataset, and another based on the bimanual ALOHA 2 platform that covers more dexterous and longer horizon tasks. Our case studies reveal many interesting insights: for example, we observe that open-source vision-language-action models often struggle with semantic generalization, despite pre-training on internet-scale language datasets. We provide videos and other supplementary material at stargen-taxonomy.github.io.
Authors: Fuchun Ge, Yuxinxin Chen, Pavlo O. Dral
Abstract: Molecular dynamics (MD) is a powerful tool for exploring the behavior of atomistic systems, but its reliance on sequential numerical integration limits simulation efficiency. We present a novel neural network architecture, MDtrajNet, and a pre-trained foundational model, MDtrajNet-1, that directly generates MD trajectories across chemical space, bypassing force calculations and integration. MDtrajNet combines equivariant neural networks with a transformer-based architecture to achieve strong accuracy and transferability in predicting long-time trajectories. This approach accelerates simulations by up to two orders of magnitude and yields better accuracy than MD propagated with established machine-learning interatomic potentials trained on the same data. Remarkably, the errors of the trajectories generated by MDtrajNet-1 for various seen and even unseen small-sized molecular systems are close to those of the conventional ab initio MD. The current limitations of MDtrajNet-1 are attributed to the relatively small size of the chemical space in its training data; however, even for bigger, unseen systems, MDtrajNet-1 provides a good starting point for fine-tuning and obtaining system-specific models. The architecture's flexible design supports diverse application scenarios, including different statistical ensembles, boundary conditions, and interaction types. By overcoming the intrinsic speed barrier of conventional MD, MDtrajNet opens new frontiers in efficient and scalable atomistic simulations.
Authors: Ruichen Zhang, Rana Muhammad Shahroz Khan, Zhen Tan, Dawei Li, Song Wang, Tianlong Chen
Abstract: Data-centric distillation, including data augmentation, selection, and mixing, offers a promising path to creating smaller, more efficient student Large Language Models (LLMs) that retain strong reasoning abilities. However, there still lacks a comprehensive benchmark to systematically assess the effect of each distillation approach. This paper introduces DC-CoT, the first data-centric benchmark that investigates data manipulation in chain-of-thought (CoT) distillation from method, model and data perspectives. Utilizing various teacher models (e.g., o4-mini, Gemini-Pro, Claude-3.5) and student architectures (e.g., 3B, 7B parameters), we rigorously evaluate the impact of these data manipulations on student model performance across multiple reasoning datasets, with a focus on in-distribution (IID) and out-of-distribution (OOD) generalization, and cross-domain transfer. Our findings aim to provide actionable insights and establish best practices for optimizing CoT distillation through data-centric techniques, ultimately facilitating the development of more accessible and capable reasoning models. The codebase can be accessed at https://github.com/UNITES-Lab/Distillation-Bench
Authors: Aladin Djuhera, Swanand Ravindra Kadhe, Farhan Ahmed, Syed Zawad, Fernando Koch, Walid Saad, Holger Boche
Abstract: Fine-tuning large language models (LLMs) on telecom datasets is a common practice to adapt general-purpose models to the telecom domain. However, little attention has been paid to how this process may compromise model safety. Recent research has shown that even benign fine-tuning can degrade the safety alignment of LLMs, causing them to respond to harmful or unethical user queries. In this paper, we investigate this issue by fine-tuning LLMs on three representative telecom datasets and show that safety degrades even for light telecom domain adaptation. To this end, we introduce TeleHarm, the first telecom-specific red-teaming benchmark, which we use alongside established DirectHarm and HexPhi datasets to systematically assess harmful behavior. We further extend our analysis to publicly available TeleLLMs that were continually pre-trained on large telecom corpora, revealing that safety alignment is severely lacking, primarily due to the omission of safety-focused instruction tuning. To address these issues, we evaluate three realignment defenses: SafeInstruct, SafeLoRA, SafeMERGE. We show that, across all settings, the proposed defenses can effectively restore safety without compromising telecom task performance, leading to Safe teleCOMMunication (SafeCOMM) models. Our work serves as both a diagnostic study and practical guide for safety realignment in telecom-tuned LLMs, underscoring the need for safety-aware instruction and fine-tuning in the telecom domain.
Authors: Jinmei Liu, Fuhong Liu, Zhenhong Sun, Jianye Hao, Huaxiong Li, Bo Wang, Daoyi Dong, Chunlin Chen, Zhi Wang
Abstract: Recent advancements in language models have demonstrated remarkable in-context learning abilities, prompting the exploration of in-context reinforcement learning (ICRL) to extend the promise to decision domains. Due to involving more complex dynamics and temporal correlations, existing ICRL approaches may face challenges in learning from suboptimal trajectories and achieving precise in-context inference. In the paper, we propose \textbf{S}calable \textbf{I}n-\textbf{C}ontext \textbf{Q}-\textbf{L}earning (\textbf{S-ICQL}), an innovative framework that harnesses dynamic programming and world modeling to steer ICRL toward efficient reward maximization and task generalization, while retaining the scalability and stability of supervised pretraining. We design a prompt-based multi-head transformer architecture that simultaneously predicts optimal policies and in-context value functions using separate heads. We pretrain a generalized world model to capture task-relevant information, enabling the construction of a compact prompt that facilitates fast and precise in-context inference. During training, we perform iterative policy improvement by fitting a state value function to an upper-expectile of the Q-function, and distill the in-context value functions into policy extraction using advantage-weighted regression. Extensive experiments across a range of discrete and continuous environments show consistent performance gains over various types of baselines, especially when learning from suboptimal data. Our code is available at \textcolor{magenta}{\href{https://github.com/NJU-RL/SICQL}{https://github.com/NJU-RL/SICQL}}.
URLs: https://github.com/NJU-RL/SICQL, https://github.com/NJU-RL/SICQL
Authors: He Yang, Pin-Qiang Mo, Fei Ren, Hai-Sui Yu, Xueyu Geng, Pei-Zhi Zhuang
Abstract: This paper conducts a preliminary study to investigate the feasibility of a physics-informed extreme learning machine (PIELM) for solving the Terzaghi consolidation equation and interpreting the coefficient of consolidation of soil from piezocone penetration tests (CPTu). In the PIELM framework, the target solution is approximated by a single-layer feed-forward extreme learning machine (ELM) network, instead of the deep neural networks typically employed in physics-informed neural networks (PINNs). Physical laws and measured data are integrated into a loss vector, which is minimized via least squares methods during ELM training. As a result, training efficiency is significantly improved by avoiding the gradient-descent optimisation commonly used in PINNs. The performance of PIELM is evaluated using three forward-problem case studies. Notably, a time-stepping strategy is incorporated into the PIELM framework to alleviate sharp gradients caused by inconsistent initial and boundary conditions. This paper further applies PIELM to estimate the soil consolidation coefficient, given that initial distributions of excess water pressure are often unavailable in CPTu dissipation tests (conducted following the pauses of penetration). By combining physical laws (excluding initial conditions) with measured data (i.e., excess pore-water pressure at the probe surface), the results demonstrate that PIELM is an effective tool for interpreting CPTu dissipation tests, owing to its ability to fuse data with physical constraints. This study contributes to the interpretation of consolidation coefficients from CPTu dissipation tests, particularly in scenarios where initial distributions of excess water pressure are not prior-known.
Authors: Yuliang Xu, Siming Huang, Mingmeng Geng, Yao Wan, Xuanhua Shi, Dongping Chen
Abstract: Coding remains one of the most fundamental modes of interaction between humans and machines. With the rapid advancement of Large Language Models (LLMs), code generation capabilities have begun to significantly reshape programming practices. This development prompts a central question: Have LLMs transformed code style, and how can such transformation be characterized? In this paper, we present a pioneering study that investigates the impact of LLMs on code style, with a focus on naming conventions, complexity, maintainability, and similarity. By analyzing code from over 20,000 GitHub repositories linked to arXiv papers published between 2020 and 2025, we identify measurable trends in the evolution of coding style that align with characteristics of LLM-generated code. For instance, the proportion of snake_case function names in Python code increased from 40.7% in Q1 2023 to 49.8% in Q3 2025. Furthermore, we investigate how LLMs approach algorithmic problems by examining their reasoning processes. Our experimental results may provide the first large-scale empirical evidence that LLMs affect real-world programming style. We release all the experimental dataset and source code at: https://github.com/ignorancex/LLM_code
Authors: Yu Zhang, Xi Zhang, Hualin Zhou, Xinyuan Chen, Shang Gao, Hong Jia, Jianfei Yang, Yuankai Qi, Tao Gu
Abstract: Deep learning for human sensing on edge systems presents significant potential for smart applications. However, its training and development are hindered by the limited availability of sensor data and resource constraints of edge systems. While transferring pre-trained models to different sensing applications is promising, existing methods often require extensive sensor data and computational resources, resulting in high costs and limited transferability. In this paper, we propose XTransfer, a first-of-its-kind method enabling modality-agnostic, few-shot model transfer with resource-efficient design. XTransfer flexibly uses pre-trained models and transfers knowledge across different modalities by (i) model repairing that safely mitigates modality shift by adapting pre-trained layers with only few sensor data, and (ii) layer recombining that efficiently searches and recombines layers of interest from source models in a layer-wise manner to restructure models. We benchmark various baselines across diverse human sensing datasets spanning different modalities. The results show that XTransfer achieves state-of-the-art performance while significantly reducing the costs of sensor data collection, model training, and edge deployment.
Authors: Etrit Haxholli, Yeti Z. Gurbuz, Ogul Can, Eli Waxman
Abstract: While continuous diffusion models excel in modeling continuous distributions, their application to categorical data has been less effective. Recent work has shown that ratio-matching through score-entropy within a continuous-time discrete Markov chain (CTMC) framework serves as a competitive alternative to autoregressive models in language modeling. To enhance this framework, we first introduce three new theorems concerning the KL divergence between the data and learned distribution. Our results serve as the discrete counterpart to those established for continuous diffusion models and allow us to derive an improved upper bound of the perplexity. Second, we empirically show that ratio-matching performed by minimizing the denoising cross-entropy between the clean and corrupted data enables models to outperform those utilizing score-entropy with up to 10% lower perplexity/generative-perplexity, and 15% faster training steps. To further support our findings, we introduce and evaluate a novel CTMC transition-rate matrix that allows prediction refinement, and derive the analytic expression for its matrix exponential which facilitates the computation of conditional ratios thus enabling efficient training and generation.
Authors: Sahar Ghoflsaz Ghinani, Elaheh Sadredini
Abstract: Federated Learning (FL) enables collaborative model training without centralizing client data, making it attractive for privacy-sensitive domains. While existing approaches employ cryptographic techniques such as homomorphic encryption, differential privacy, or secure multiparty computation to mitigate inference attacks, including model inversion, membership inference, and gradient leakage, they often suffer from high computational and memory overheads. Moreover, many methods overlook the confidentiality of the global model itself, which may be proprietary and sensitive. These challenges limit the practicality of secure FL, especially in settings that involve large datasets and strict compliance requirements. We present FuSeFL, a Fully Secure and scalable FL scheme, which decentralizes training across client pairs using lightweight MPC, while confining the server's role to secure aggregation, client pairing, and routing. This design eliminates server bottlenecks, avoids full data offloading, and preserves full confidentiality of data, model, and updates throughout training. Based on our experiment, FuSeFL defends against unauthorized observation, reconstruction attacks, and inference attacks such as gradient leakage, membership inference, and inversion attacks, while achieving up to $13 \times$ speedup in training time and 50% lower server memory usage compared to our baseline.
Authors: Yannan Bai, Debmalya Panigrahi, Ian Zhang
Abstract: Kleinberg and Mullainathan (2024) recently proposed a formal framework called language generation in the limit and showed that given a sequence of example strings from an unknown target language drawn from any countable collection, an algorithm can correctly generate unseen strings from the target language within finite time. This notion was further refined by Li, Raman, and Tewari (2024), who defined stricter categories of non-uniform and uniform generation. They showed that a finite union of uniformly generatable collections is generatable in the limit, and asked if the same is true for non-uniform generation. We begin by resolving the question in the negative: we give a uniformly generatable collection and a non-uniformly generatable collection whose union is not generatable in the limit. We then use facets of this construction to further our understanding of several variants of language generation. The first two, generation with noise and without samples, were introduced by Raman and Raman (2025) and Li, Raman, and Tewari (2024) respectively. We show the equivalence of these models for uniform and non-uniform generation, and provide a characterization of non-uniform noisy generation. The former paper asked if there is any separation between noisy and non-noisy generation in the limit -- we show that such a separation exists even with a single noisy string. Finally, we study the framework of generation with feedback, introduced by Charikar and Pabbaraju (2025), where the algorithm is strengthened by allowing it to ask membership queries. We show finite queries add no power, but infinite queries yield a strictly more powerful model. In summary, the results in this paper resolve the union-closedness of language generation in the limit, and leverage those techniques (and others) to give precise characterizations for natural variants that incorporate noise, loss, and feedback.
Authors: Daisuke Inoue, Tadayoshi Matsumori, Gouhei Tanaka, Yuji Ito
Abstract: Neural networks have found extensive application in data-driven control of nonlinear dynamical systems, yet fast online identification and control of unknown dynamics remain central challenges. To meet these challenges, this paper integrates echo-state networks (ESNs)--reservoir computing models implemented with recurrent neural networks--and model predictive path integral (MPPI) control--sampling-based variants of model predictive control. The proposed reservoir predictive path integral (RPPI) enables fast learning of nonlinear dynamics with ESNs and exploits the learned nonlinearities directly in MPPI control computation without linearization approximations. This framework is further extended to uncertainty-aware RPPI (URPPI), which achieves robust stochastic control by treating ESN output weights as random variables and minimizing an expected cost over their distribution to account for identification errors. Experiments on controlling a Duffing oscillator and a four-tank system demonstrate that URPPI improves control performance, reducing control costs by up to 60% compared to traditional quadratic programming-based model predictive control methods.
Authors: Philip Jordan, Maryam Kamgarpour
Abstract: We study the existence and computation of Nash equilibria in concave games where the players' admissible strategies are subject to shared coupling constraints. Under playerwise concavity of constraints, we prove existence of Nash equilibria. Our proof leverages topological fixed point theory and novel structural insights into the contractibility of feasible sets, and relaxes strong assumptions for existence in prior work. Having established existence, we address the question of whether in the presence of coupling constraints, playerwise independent learning dynamics have convergence guarantees. We address this positively for the class of potential games by designing a convergent algorithm. To account for the possibly nonconvex feasible region, we employ a log barrier regularized gradient ascent with adaptive stepsizes. Starting from an initial feasible strategy profile and under exact gradient feedback, the proposed method converges to an $\epsilon$-approximate constrained Nash equilibrium within $\mathcal{O}(\epsilon^{-3})$ iterations.
Authors: Lucas H. McCabe, Rimon Melamed, Thomas Hartvigsen, H. Howie Huang
Abstract: Many black-box techniques for quantifying the uncertainty of large language models (LLMs) rely on repeated LLM sampling, which can be computationally expensive. Therefore, practical applicability demands reliable estimation from few samples. Semantic entropy (SE) is a popular sample-based uncertainty estimator with a discrete formulation attractive for the black-box setting. Recent extensions of SE exhibit improved LLM hallucination detection, but do so with less interpretable methods that admit additional hyperparameters. For this reason, we revisit the canonical discrete semantic entropy (DSE) estimator, finding that it underestimates the "true" semantic entropy, as expected from theory. We propose a modified semantic alphabet size estimator, and illustrate that using it to adjust DSE for sample coverage results in more accurate SE estimation in our setting of interest. Furthermore, we find that two semantic alphabet size estimators, including our proposed, flag incorrect LLM responses as well or better than many top-performing alternatives, with the added benefit of remaining highly interpretable.
Authors: Shivam Kumar, Xiaokai Luo, Haotian Xu, Carlos Misael Madrid Padilla, Oscar Hernan Madrid Padilla, Daren Wang
Abstract: We study matrix and tensor denoising when the underlying signal is \textbf{not} necessarily low-rank. In the tensor setting, we observe \[ Y = X^\ast + Z \in \mathbb{R}^{p_1 \times p_2 \times p_3}, \] where $X^\ast$ is an unknown signal tensor and $Z$ is a noise tensor. We propose a one-step variant of the higher-order SVD (HOSVD) estimator, denoted $\widetilde X$, and show that, uniformly over any user-specified Tucker ranks $(r_1,r_2,r_3)$, with high probability, \[ \|\widetilde X - X^\ast\|_{\mathrm F}^2 = O\Big( \kappa^2\Big\{r_1r_2r_3 + \sum_{k=1}^3 p_k r_k\Big\} + \xi_{(r_1,r_2,r_3)}^2 \Big). \] Here, $\xi_{(r_1,r_2,r_3)}$ is the best achievable Tucker rank-$(r_1,r_2,r_3)$ approximation error of $X^\ast$ (bias), $\kappa^2$ quantifies the noise level, and $\kappa^2\{r_1r_2r_3+\sum_{k=1}^3 p_k r_k\}$ is the variance term scaling with the effective degrees of freedom of $\widetilde X$. This yields a rank-adaptive bias-variance tradeoff: increasing $(r_1,r_2,r_3)$ decreases the bias $\xi_{(r_1,r_2,r_3)}$ while increasing variance. In the matrix setting, we show that truncated SVD achieves an analogous bias-variance tradeoff for arbitrary signal matrices. Notably, our matrix result requires \textbf{no} assumptions on the signal matrix, such as finite rank or spectral gaps. Finally, we complement our upper bounds with matching information-theoretic lower bounds, showing that the resulting bias-variance tradeoff is minimax optimal up to universal constants in both the matrix and tensor settings.
Authors: Amin Karimi Monsefi, Nikhil Bhendawade, Manuel Rafael Ciosici, Dominic Culver, Yizhe Zhang, Irina Belousova
Abstract: Autoregressive language models (ARMs) deliver strong likelihoods, but are inherently serial: they generate one token per forward pass, which limits throughput and inflates latency for long sequences. Diffusion Language Models (DLMs) parallelize across positions and thus appear promising for language generation, yet standard discrete diffusion typically needs hundreds to thousands of model evaluations to reach high quality, trading serial depth for iterative breadth. We introduce FS-DFM, Few-Step Discrete Flow-Matching. A discrete flow-matching model designed for speed without sacrificing quality. The core idea is simple: make the number of sampling steps an explicit parameter and train the model to be consistent across step budgets, so one big move lands where many small moves would. We pair this with a reliable update rule that moves probability in the right direction without overshooting, and with strong teacher guidance distilled from long-run trajectories. Together, these choices make few-step sampling stable, accurate, and easy to control. On language modeling benchmarks, FS-DFM with 8 sampling steps achieves perplexity parity with a 1,024-step discrete-flow baseline for generating 1,024 tokens using a similar-size model, delivering up to 128 times faster sampling and corresponding latency/throughput gains. Code & pretrained checkpoints: https://github.com/apple/ml-fs-dfm
Authors: Mohammad Hassan Shakil, Arne Johan Pollestad, Khine Kyaw, Ziaul Haque Munim
Abstract: With European Union initiatives mandating gender quotas on corporate boards, a key question arises: Is greater board gender diversity (BGD) associated with better emissions performance (EP)? To answer this question, we examine the influence of BGD on EP across a sample of European firms from 2016 to 2022. Using panel regressions, advanced machine learning algorithms, and explainable AI, we reveal a non-linear relationship. Specifically, EP improves with BGD up to an optimal level of approximately 35 %, beyond which further increases in BGD yield no additional improvement in EP. A minimum BGD threshold of 22 % is necessary for meaningful improvements in EP. To assess the legitimacy of EP outcomes, this study examines whether ESG controversies weaken the BGD-EP relationship. The results show no significant effect, suggesting that BGD's impact is driven by governance mechanisms rather than symbolic actions. Additionally, path analysis indicates that while environmental innovation contributes to EP, it is not the mediating channel through which BGD promotes EP. The results have implications for academics, businesses, and regulators.
Authors: Juan Guti\'errez, Victor Guti\'errez, \'Angel Mora, Silvia Rodriguez, Jos\'e Luis Blanco
Abstract: Manual annotation remains the gold standard for high-quality, dense temporal video datasets, yet it is inherently time-consuming. Vision-language models can aid human annotators and expedite this process. We report on the impact of automatic Pre-Annotations from a tuned encoder on a Human-in-the-Loop labeling workflow for video footage. Quantitative analysis in a study of a single-iteration test involving 18 volunteers demonstrates that our workflow reduced annotation time by 35% for the majority (72%) of the participants. Beyond efficiency, we provide a rigorous framework for benchmarking AI-assisted workflows that quantifies trade-offs between algorithmic speed and the integrity of human verification.
Authors: Yilong Lu, Si Chen, Songyan Gao, Han Liu, Xin Dong, Wenfeng Shen, Guangtai Ding
Abstract: Traditional non-biological storage media, such as hard drives, face limitations in both storage density and lifespan due to the rapid growth of data in the big data era. Mirror-image peptides composed of D-amino acids have emerged as a promising biological storage medium due to their high storage density, structural stability, and long lifespan. The sequencing of mirror-image peptides relies on \textit{de-novo} technology. However, its accuracy is limited by the scarcity of tandem mass spectrometry datasets and the challenges that current algorithms encounter when processing these peptides directly. This study is the first to propose improving sequencing accuracy indirectly by optimizing the design of mirror-image peptide sequences. In this work, we introduce DBond, a deep neural network based model that integrates sequence features, precursor ion properties, and mass spectrometry environmental factors for the prediction of mirror-image peptide bond cleavage. In this process, sequences with a high peptide bond cleavage ratio, which are easy to sequence, are selected. The main contributions of this study are as follows. First, we constructed MiPD513, a tandem mass spectrometry dataset containing 513 mirror-image peptides. Second, we developed the peptide bond cleavage labeling algorithm (PBCLA), which generated approximately 12.5 million labeled data based on MiPD513. Third, we proposed a dual prediction strategy that combines multi-label and single-label classification. On an independent test set, the single-label classification strategy outperformed other methods in both single and multiple peptide bond cleavage prediction tasks, offering a strong foundation for sequence optimization.
Authors: Zhongde An, Jinhong You, Jiyanglin Li, Yiming Tang, Wen Li, Heming Du, Shouguo Du
Abstract: Time series forecasting is essential in a wide range of real world applications. Recently, frequency-domain methods have attracted increasing interest for their ability to capture global dependencies. However, when applied to non-stationary time series, these methods encounter the $\textit{spectral entanglement}$ and the computational burden of complex-valued learning. The $\textit{spectral entanglement}$ refers to the overlap of trends, periodicities, and noise across the spectrum due to $\textit{spectral leakage}$ and the presence of non-stationarity. However, existing decompositions are not suited to resolving spectral entanglement. To address this, we propose the Frequency Decomposition Network (FreDN), which introduces a learnable Frequency Disentangler module to separate trend and periodic components directly in the frequency domain. Furthermore, we propose a theoretically supported ReIm Block to reduce the complexity of complex-valued operations while maintaining performance. We also re-examine the frequency-domain loss function and provide new theoretical insights into its effectiveness. Extensive experiments on seven long-term forecasting benchmarks demonstrate that FreDN outperforms state-of-the-art methods by up to 10\%. Furthermore, compared with standard complex-valued architectures, our real-imaginary shared-parameter design reduces the parameter count and computational cost by at least 50\%.
Authors: Sajad U P
Abstract: Phishing and related cyber threats are becoming more varied and technologically advanced. Among these, email-based phishing remains the most dominant and persistent threat. These attacks exploit human vulnerabilities to disseminate malware or gain unauthorized access to sensitive information. Deep learning (DL) models, particularly transformer-based models, have significantly enhanced phishing mitigation through their contextual understanding of language. However, some recent threats, specifically Artificial Intelligence (AI)-generated phishing attacks, are reducing the overall system resilience of phishing detectors. In response, adversarial training has shown promise against AI-generated phishing threats. This study presents a hybrid approach that uses DistilBERT, a smaller, faster, and lighter version of the BERT transformer model for email classification. Robustness against text-based adversarial perturbations is reinforced using Fast Gradient Method (FGM) adversarial training. Furthermore, the framework integrates the LIME Explainable AI (XAI) technique to enhance the transparency of the DistilBERT architecture. The framework also uses the Flan-T5-small language model from Hugging Face to generate plain-language security narrative explanations for end-users. This combined approach ensures precise phishing classification while providing easily understandable justifications for the model's decisions.
Authors: Kexin Chu, Dawei Xiang, Zixu Shen, Yiwei Yang, Zecheng Liu, Wei Zhang
Abstract: Mixture-of-Experts (MoE) has become a practical architecture for scaling LLM capacity while keeping per-token compute modest, but deploying MoE models on a single, memory-limited GPU remains difficult because expert weights dominate the HBM footprint. Existing expert offloading and prefetching systems reduce the resident set, yet they often pay expert-loading costs on the critical path when activation becomes dense. Post-training quantization (PTQ) lowers the footprint without transfers, but prevailing pipelines fix expert bit-widths offline and assume routing remains stable, even though MoE expert utilization is heavy-tailed and the hot set can shift across workloads. We present DynaExq, a runtime-aware mixed-precision serving system that treats single-GPU MoE inference under a hard HBM envelope as an online, budget-constrained precision allocation problem. The key insight is to keep the experts that dominate runtime traffic resident at higher precision, while maintaining a low-precision fallback for the remaining experts, so the system can reduce transfer volume and avoid the waiting latency that limits offloading and prefetching under dense activation. DynaExq estimates long-horizon expert hotness from router traces, selects a per-layer high-precision resident set via a budget-feasible top-$n$ rule, and applies promotions and demotions asynchronously through stable expert handles so the forward pass always executes on a fully materialized expert version. Across Qwen3-MoE-30B/80B and six benchmarks, DynaExq improves accuracy over static PTQ on Qwen3-80B (73.09% to 77.57%) under comparable device-memory budgets and achieves up to 2.73x higher throughput than offloading/prefetch baselines at batch size 32.
Authors: Shravan Chaudhari, Rahul Thomas Jacob, Mononito Goswami, Jiajun Cao, Shihab Rashid, Christian Bock
Abstract: Retrieving code functions, classes or files that are relevant in order to solve a given user query, bug report or feature request from large codebases is a fundamental challenge for Large Language Model (LLM)-based coding agents. Agentic approaches typically employ sparse retrieval methods like BM25 or dense embedding strategies to identify semantically relevant units. While embedding-based approaches can outperform BM25 by large margins, they often don't take into consideration the underlying graph-structured characteristics of the codebase. To address this, we propose SpIDER (Spatially Informed Dense Embedding Retrieval), an enhanced dense retrieval approach that integrates LLM-based reasoning along with auxiliary information obtained from graph-based exploration of the codebase. We further introduce SpIDER-Bench, a graph-structured evaluation benchmark curated from SWE-PolyBench, SWEBench-Verified and Multi-SWEBench, spanning codebases from Python, Java, JavaScript and TypeScript programming languages. Empirical results show that SpIDER consistently improves dense retrieval performance by at least 13% across programming languages and benchmarks in SpIDER-Bench.
Authors: Oluwatosin Akande, Gabriel P. Langlois, Akwum Onwunta
Abstract: Inverse problems are important mathematical problems that seek to recover model parameters from noisy data. Since inverse problems are often ill-posed, they require regularization or incorporation of prior information about the underlying model or unknown variables. Proximal operators, ubiquitous in nonsmooth optimization, are central to this because they provide a flexible and convenient way to encode priors and build efficient iterative algorithms. They have also recently become key to modern machine learning methods, e.g., for plug-and-play methods for learned denoisers and deep neural architectures for learning priors of proximal operators. The latter was developed partly due to recent work characterizing proximal operators of nonconvex priors as subdifferential of convex potentials. In this work, we propose to leverage connections between proximal operators and Hamilton-Jacobi partial differential equations (HJ PDEs) to develop novel deep learning architectures for learning the prior. In contrast to other existing methods, we learn the prior directly without recourse to inverting the prior after training. We present several numerical results that demonstrate the efficiency of the proposed method in high dimensions.
Authors: Yohan Park, Hyunwoo Ha, Wonjun Jo, Tae-Hyun Oh
Abstract: Vision Language Models (VLMs) are increasingly adopted as central reasoning modules for embodied agents. Existing benchmarks evaluate their capabilities under ideal, well-lit conditions, yet robust 24/7 operation demands performance under a wide range of visual degradations, including low-light conditions at night or in dark environments--a core necessity that has been largely overlooked. To address this underexplored challenge, we present DarkEQA, an open-source benchmark for evaluating EQA-relevant perceptual primitives under multi-level low-light conditions. DarkEQA isolates the perception bottleneck by evaluating question answering from egocentric observations under controlled degradations, enabling attributable robustness analysis. A key design feature of DarkEQA is its physical fidelity: visual degradations are modeled in linear RAW space, simulating physics-based illumination drop and sensor noise followed by an ISP-inspired rendering pipeline. We demonstrate the utility of DarkEQA by evaluating a wide range of state-of-the-art VLMs and Low-Light Image Enhancement (LLIE) models. Our analysis systematically reveals VLMs' limitations when operating under these challenging visual conditions. Project website: https://darkeqa-benchmark.github.io/
Authors: Zhuofan Shi, Hubao A, Yufei Shao, Dongliang Huang, Hongxu An, Chunxiao Xin, Haiyang Shen, Zhenyu Wang, Yunshan Na, Gang Huang, Xiang Jing
Abstract: Molecular dynamics (MD) simulations are essential for understanding atomic-scale behaviors in materials science, yet writing LAMMPS scripts remains highly specialized and time-consuming tasks. Although LLMs show promise in code generation and domain-specific question answering, their performance in MD scenarios is limited by scarce domain data, the high deployment cost of state-of-the-art LLMs, and low code executability. Building upon our prior MDAgent, we present MDAgent2, the first end-to-end framework capable of performing both knowledge Q&A and code generation within the MD domain. We construct a domain-specific data-construction pipeline that yields three high-quality datasets spanning MD knowledge, question answering, and code generation. Based on these datasets, we adopt a three stage post-training strategy--continued pre-training (CPT), supervised fine-tuning (SFT), and reinforcement learning (RL)--to train two domain-adapted models, MD-Instruct and MD-Code. Furthermore, we introduce MD-GRPO, a closed-loop RL method that leverages simulation outcomes as reward signals and recycles low-reward trajectories for continual refinement. We further build MDAgent2-RUNTIME, a deployable multi-agent system that integrates code generation, execution, evaluation, and self-correction. Together with MD-EvalBench proposed in this work, the first benchmark for LAMMPS code generation and question answering, our models and system achieve performance surpassing several strong baselines.This work systematically demonstrates the adaptability and generalization capability of large language models in industrial simulation tasks, laying a methodological foundation for automatic code generation in AI for Science and industrial-scale simulations. URL: https://github.com/FredericVAN/PKU_MDAgent2
Authors: Ashutosh Hathidara, Julien Yu, Vaishali Senthil, Sebastian Schreiber, Anil Babu Ankisettipalli
Abstract: Large language models (LLMs) are increasingly used as human simulators, both for evaluating conversational systems and for generating fine-tuning data. However, naive "act-as-a-user" prompting often yields verbose, unrealistic utterances, motivating principled evaluation of *user proxy agents*. We present **MirrorBench**, a reproducible and extensible benchmarking framework that evaluates user proxies solely on their ability to produce human-like user utterances across diverse conversational regimes, explicitly decoupled from downstream task success. **MirrorBench** combines three lexical-diversity metrics (**MATTR**, **Yule's~$K$**, and **HD-D**) with three LLM-judge-based metrics (**GTEval**, **Pairwise Indistinguishability**, and **Rubric-and-Reason**), and contextualizes judge scores using Human-Human and Proxy-Proxy calibration controls. Across four public datasets, **MirrorBench** yields variance-aware comparisons and reveals systematic gaps between user proxies and real human users. The framework is [open source](https://github.com/SAP/mirrorbench) and includes a command-line interface for running and managing user-proxy benchmarking experiments.
Authors: Fabiana Taglietti, Andrea Pulici, Maxwell Roxburgh, Gabriele Seguini, Ian Vidamour, Stephan Menzel, Edoardo Franco, Michele Laus, Eleni Vasilaki, Michele Perego, Thomas J. Hayward, Marco Fanciulli, Jack C. Gartside
Abstract: Physical neural networks typically train linear synaptic weights while treating device nonlinearities as fixed. We show the opposite - by training the synaptic nonlinearity itself, as in Kolmogorov-Arnold Network (KAN) architectures, we yield markedly higher task performance per physical resource and improved performance-parameter scaling than conventional linear weight-based networks, demonstrating ability of KAN topologies to exploit reconfigurable nonlinear physical dynamics. We experimentally realise physical KANs in silicon-on-insulator devices we term 'Synaptic Nonlinear Elements' (SYNEs), operating at room temperature, microampere currents, 2 MHz speeds and ~750 fJ per nonlinear operation, with no observed degradation over 10^13 measurements and months-long timescales. We demonstrate nonlinear function regression, classification, and prediction of Li-Ion battery dynamics from noisy real-world multi-sensor data. Physical KANs outperform equivalently-parameterised software multilayer perceptron networks across all tasks, with up to two orders of magnitude fewer parameters, and two orders of magnitude fewer devices than linear weight based physical networks. These results establish learned physical nonlinearity as a hardware-native computational primitive for compact and efficient learning systems, and SYNE devices as effective substrates for heterogenous nonlinear computing.
Authors: Lei Wei, Xiao Peng, Jinpeng Ou, Bin Wang
Abstract: Large language models (LLMs) have demonstrated remarkable capabilities in function calling for autonomous agents, yet current mechanisms lack explicit reasoning transparency during parameter generation, particularly for complex functions with interdependent parameters. While existing approaches like chain-of-thought prompting operate at the agent level, they fail to provide fine-grained reasoning guidance for individual function parameters. To address these limitations, we propose Think-Augmented Function Calling (TAFC), a novel framework that enhances function calling accuracy through explicit reasoning at both function and parameter levels. Our method introduces a universal "think" parameter augmentation that enables models to articulate their decision-making process, with dynamic optimization for parameter descriptions to improve reasoning quality. For complex parameters, TAFC automatically triggers granular reasoning based on complexity scoring, ensuring appropriate justification for critical decisions. Additionally, we propose reasoning-guided optimization to align generated reasoning with human expectations. TAFC requires no architectural modifications to existing LLMs while maintaining full API compatibility. Evaluation on ToolBench across proprietary and open-source models demonstrates significant improvements in parameter generation accuracy and reasoning coherence for multi-parameter functions, while providing enhanced interpretability for debugging AI agent behaviors.
Authors: Shun Takagi, Seng Pei Liew
Abstract: Shuffling is a powerful way to amplify privacy of a local randomizer in private distributed data analysis, but existing analyses mostly treat the local differential privacy (DP) parameter $\varepsilon_0$ as the only knob and give generic upper bounds that can be loose and do not even characterize how shuffling amplifies privacy for basic mechanisms such as the Gaussian mechanism. We revisit the privacy blanket bound of Balle et al. (the blanket divergence) and develop an asymptotic analysis that applies to a broad class of local randomizers under mild regularity assumptions, without requiring pure local DP. Our key finding is that the leading term of the blanket divergence depends on the local mechanism only through a single scalar parameter $\chi$, which we call the shuffle index. By applying this asymptotic analysis to both upper and lower bounds, we obtain a tight band for $\delta_n$ in the shuffled mechanism's $(\varepsilon_n,\delta_n)$-DP guarantee. Moreover, we derive a simple structural necessary and sufficient condition on the local randomizer under which the blanket-divergence-based upper and lower bounds coincide asymptotically. $k$-RR families with $k\ge3$ satisfy this condition, while for generalized Gaussian mechanisms the condition may not hold but the resulting band remains tight. Finally, we complement the asymptotic theory with an FFT-based algorithm for computing the blanket divergence at finite $n$, which offers rigorously controlled relative error and near-linear running time in $n$, providing a practical numerical analysis for shuffle DP.
Authors: Xiaoyu Wen, Zhida He, Han Qi, Ziyu Wan, Zhongtian Ma, Ying Wen, Tianhang Zheng, Xingcheng Xu, Chaochao Lu, Qiaosheng Zhang
Abstract: Ensuring robust safety alignment is crucial for Large Language Models (LLMs), yet existing defenses often lag behind evolving adversarial attacks due to their \textbf{reliance on static, pre-collected data distributions}. In this paper, we introduce \textbf{MAGIC}, a novel multi-turn multi-agent reinforcement learning framework that formulates LLM safety alignment as an adversarial asymmetric game. Specifically, an attacker agent learns to iteratively rewrite original queries into deceptive prompts, while a defender agent simultaneously optimizes its policy to recognize and refuse such inputs. This dynamic process triggers a \textbf{co-evolution}, where the attacker's ever-changing strategies continuously uncover long-tail vulnerabilities, driving the defender to generalize to unseen attack patterns. Remarkably, we observe that the attacker, endowed with initial reasoning ability, evolves \textbf{novel, previously unseen combinatorial strategies} through iterative RL training, underscoring our method's substantial potential. Theoretically, we provide insights into a more robust game equilibrium and derive safety guarantees. Extensive experiments validate our framework's effectiveness, demonstrating superior defense success rates without compromising the helpfulness of the model. Our code is available at https://github.com/BattleWen/MAGIC.
Authors: Zhiyu An, Wan Du
Abstract: Social choice is no longer a peripheral concern of political theory or economics-it has become a foundational component of modern machine learning systems. From auctions and resource allocation to federated learning, participatory governance, and the alignment of large language models, machine learning pipelines increasingly aggregate heterogeneous preferences, incentives, and judgments into collective decisions. In effect, many contemporary machine learning systems already implement social choice mechanisms, often implicitly and without explicit normative scrutiny. This Review surveys differentiable social choice: an emerging paradigm that formulates voting rules, mechanisms, and aggregation procedures as learnable, differentiable models optimized from data. We synthesize work across auctions, voting, budgeting, liquid democracy, decentralized aggregation, and inverse mechanism learning, showing how classical axioms and impossibility results reappear as objectives, constraints, and optimization trade-offs. We conclude by identifying 36 open problems defining a new research agenda at the intersection of machine learning, economics, and social choice theory.
Authors: Martin G. Frasch, Marlene J. E. Mayer, Clara Becker, Peter Zimmermann, Camilla Zelgert, Marta C. Antonelli, Silvia M. Lobmaier
Abstract: Prenatal psychological stress affects 15-25% of pregnancies and increases risks of preterm birth, low birth weight, and adverse neurodevelopmental outcomes. Current screening relies on subjective questionnaires (PSS-10), limiting continuous monitoring. We developed deep learning models for stress detection from electrocardiography (ECG) using the FELICITy 1 cohort (151 pregnant women, 32-38 weeks gestation). A ResNet-34 encoder was pretrained via SimCLR contrastive learning on 40,692 ECG segments per subject. Multi-layer feature extraction enabled binary classification and continuous PSS prediction across maternal (mECG), fetal (fECG), and abdominal ECG (aECG). External validation used the FELICITy 2 RCT (28 subjects, different ECG device, yoga intervention vs. control). On FELICITy 1 (5-fold CV): mECG 98.6% accuracy (R2=0.88, MAE=1.90), fECG 99.8% (R2=0.95, MAE=1.19), aECG 95.5% (R2=0.75, MAE=2.80). External validation on FELICITy 2: mECG 77.3% accuracy (R2=0.62, MAE=3.54, AUC=0.826), aECG 63.6% (R2=0.29, AUC=0.705). Signal quality-based channel selection outperformed all-channel averaging (+12% R2 improvement). Mixed-effects models detected a significant intervention response (p=0.041). Self-supervised deep learning on pregnancy ECG enables accurate, objective stress assessment, with multi-layer feature extraction substantially outperforming single embedding approaches.
Authors: Enyu Zhou, Zhiheng Xi, Long Ma, Zhihao Zhang, Shihan Dou, Zhikai Lei, Guoteng Wang, Rui Zheng, Hang Yan, Tao Gui, Qi Zhang, Xuanjing Huang
Abstract: As Large Language Models increasingly automate complex, long-horizon tasks such as \emph{vibe coding}, a supervision gap has emerged. While models excel at execution, users often struggle to guide them effectively due to insufficient domain expertise, the difficulty of articulating precise intent, and the inability to reliably validate complex outputs. It presents a critical challenge in scalable oversight: enabling humans to responsibly steer AI systems on tasks that surpass their own ability to specify or verify. To tackle this, we propose Scalable Interactive Oversight, a framework that decomposes complex intent into a recursive tree of manageable decisions to amplify human supervision. Rather than relying on open-ended prompting, our system elicits low-burden feedback at each node and recursively aggregates these signals into precise global guidance. Validated in web development task, our framework enables non-experts to produce expert-level Product Requirement Documents, achieving a 54\% improvement in alignment. Crucially, we demonstrate that this framework can be optimized via Reinforcement Learning using only online user feedback, offering a practical pathway for maintaining human control as AI scales.
Authors: Julian Rodemann, Unai Fischer-Abaigar, James Bailie, Krikamol Muandet
Abstract: Performative predictions influence the very outcomes they aim to forecast. We study performative predictions that affect a sample (e.g., only existing users of an app) and/or the whole population (e.g., all potential app users). This raises the question of how well models generalize under performativity. For example, how well can we draw insights about new app users based on existing users when both of them react to the app's predictions? We address this question by embedding performative predictions into statistical learning theory. We prove generalization bounds under performative effects on the sample, on the population, and on both. A key intuition behind our proofs is that in the worst case, the population negates predictions, while the sample deceptively fulfills them. We cast such self-negating and self-fulfilling predictions as min-max and min-min risk functionals in Wasserstein space, respectively. Our analysis reveals a fundamental trade-off between performatively changing the world and learning from it: the more a model affects data, the less it can learn from it. Moreover, our analysis results in a surprising insight on how to improve generalization guarantees by retraining on performatively distorted samples. We illustrate our bounds in a case study on prediction-informed assignments of unemployed German residents to job trainings, drawing upon administrative labor market records from 1975 to 2017 in Germany.
Authors: Elias Hess-Childs, Dejan Slep\v{c}ev, Lantian Xu
Abstract: Gradient flows of the Kullback--Leibler (KL) divergence, such as the Fokker--Planck equation and Stein Variational Gradient Descent, evolve a distribution toward a target density known only up to a normalizing constant. We introduce new gradient flows of the KL divergence with a remarkable combination of properties: they admit accurate interacting-particle approximations in high dimensions, and the per-step cost scales linearly in both the number of particles and the dimension. These gradient flows are based on new transportation-based Riemannian geometries on the space of probability measures: the Radon--Wasserstein geometry and the related Regularized Radon--Wasserstein (RRW) geometry. We define these geometries using the Radon transform so that the gradient-flow velocities depend only on one-dimensional projections. This yields interacting-particle-based algorithms whose per-step cost follows from efficient Fast Fourier Transform-based evaluation of the required 1D convolutions. We additionally provide numerical experiments that study the performance of the proposed algorithms and compare convergence behavior and quantization. Finally, we prove some theoretical results including well-posedness of the flows and long-time convergence guarantees for the RRW flow.
Authors: Enrique Feito-Casares, Francisco M. Melgarejo-Meseguer, Elena Casiraghi, Giorgio Valentini, Jos\'e-Luis Rojo-\'Alvarez
Abstract: The rapid expansion of Internet of Things (IoT) ecosystems has led to increasingly complex and heterogeneous network topologies. Traditional network monitoring and visualization tools rely on aggregated metrics or static representations, which fail to capture the evolving relationships and structural dependencies between devices. Although Graph Neural Networks (GNNs) offer a powerful way to learn from relational data, their internal representations often remain opaque and difficult to interpret for security-critical operations. Consequently, this work introduces an interpretable pipeline that generates directly visualizable low-dimensional representations by mapping high-dimensional embeddings onto a latent manifold. This projection enables the interpretable monitoring and interoperability of evolving network states, while integrated feature attribution techniques decode the specific characteristics shaping the manifold structure. The framework achieves a classification F1-score of 0.830 for intrusion detection while also highlighting phenomena such as concept drift. Ultimately, the presented approach bridges the gap between high-dimensional GNN embeddings and human-understandable network behavior, offering new insights for network administrators and security analysts.