Authors: Xiang Ao, Yinyu Tan, Mengru Chen
Abstract: Time series forecasting (TSF) is critical across domains such as finance, meteorology, and energy. While extending the lookback window theoretically provides richer historical context, in practice, it often introduces irrelevant noise and computational redundancy, preventing models from effectively capturing complex long-term dependencies. To address these challenges, we propose a Dynamic Semantic Compression (DySCo) framework. Unlike traditional methods that rely on fixed heuristics, DySCo introduces an Entropy-Guided Dynamic Sampling (EGDS) mechanism to autonomously identify and retain high-entropy segments while compressing redundant trends. Furthermore, we incorporate a Hierarchical Frequency-Enhanced Decomposition (HFED) strategy to separate high-frequency anomalies from low-frequency patterns, ensuring that critical details are preserved during sparse sampling. Finally, a Cross-Scale Interaction Mixer(CSIM) is designed to dynamically fuse global contexts with local representations, replacing simple linear aggregation. Experimental results demonstrate that DySCo serves as a universal plug-and-play module, significantly enhancing the ability of mainstream models to capture long-term correlations with reduced computational cost.
Authors: Samuel Bright-Thonney, Thomas R. Harvey, Andre Lukas, Jesse Thaler
Abstract: We introduce Sven (Singular Value dEsceNt), a new optimization algorithm for neural networks that exploits the natural decomposition of loss functions into a sum over individual data points, rather than reducing the full loss to a single scalar before computing a parameter update. Sven treats each data point's residual as a separate condition to be satisfied simultaneously, using the Moore-Penrose pseudoinverse of the loss Jacobian to find the minimum-norm parameter update that best satisfies all conditions at once. In practice, this pseudoinverse is approximated via a truncated singular value decomposition, retaining only the $k$ most significant directions and incurring a computational overhead of only a factor of $k$ relative to stochastic gradient descent. This is in comparison to traditional natural gradient methods, which scale as the square of the number of parameters. We show that Sven can be understood as a natural gradient method generalized to the over-parametrized regime, recovering natural gradient descent in the under-parametrized limit. On regression tasks, Sven significantly outperforms standard first-order methods including Adam, converging faster and to a lower final loss, while remaining competitive with LBFGS at a fraction of the wall-time cost. We discuss the primary challenge to scaling, namely memory overhead, and propose mitigation strategies. Beyond standard machine learning benchmarks, we anticipate that Sven will find natural application in scientific computing settings where custom loss functions decompose into several conditions.
Authors: Benjamin Turtel, Paul Wilczewski, Kris Skotheim
Abstract: Anticipating supply chain disruptions before they materialize is a core challenge for firms and policymakers alike. A key difficulty is learning to reason reliably about infrequent, high-impact events from noisy and unstructured inputs - a setting where general-purpose models struggle without task-specific adaptation. We introduce an end-to-end framework that trains LLMs to produce calibrated probabilistic forecasts using realized disruption outcomes as supervision. The resulting model substantially outperforms strong baselines - including GPT-5 - on accuracy, calibration, and precision. We also show that training induces more structured and reliable probabilistic reasoning without explicit prompting. These results suggest a general pathway for training domain-specific forecasting models that produce decision-ready signals. To support transparency we open-source the evaluation dataset used in this study. Dataset: https://huggingface.co/datasets/LightningRodLabs/supply-chain-predictions
URLs: https://huggingface.co/datasets/LightningRodLabs/supply-chain-predictions
Authors: Mars Liyao Gao, Yuxuan Bao, Amy S. Rude, Xinwei Shen, J. Nathan Kutz
Abstract: Reconstructing high-dimensional spatiotemporal fields from sparse sensor measurements is critical in a wide range of scientific applications. The SHallow REcurrent Decoder (SHRED) architecture is a recent state-of-the-art architecture that reconstructs high-quality spatial domain from hyper-sparse sensor measurement streams. An important limitation of SHRED is that in complex, data-scarce, high-frequency, or stochastic systems, portions of the spatiotemporal field must be modeled with valid uncertainty estimation. We introduce UQ-SHRED, a distributional learning framework for sparse sensing problems that provides uncertainty quantification through a neural network-based distributional regression called engression. UQ-SHRED models the uncertainty by learning the predictive distribution of the spatial state conditioned on the sensor history. By injecting stochastic noise into sensor inputs and training with an energy score loss, UQ-SHRED produces predictive distributions with minimal computational overhead, requiring only noise injection at the input and resampling through a single architecture without retraining or additional network structures. On complicated synthetic and real-life datasets including turbulent flow, atmospheric dynamics, neuroscience and astrophysics, UQ-SHRED provides a distributional approximation with well-calibrated confidence intervals. We further conduct ablation studies to understand how each model setting affects the quality of the UQ-SHRED performance, and its validity on uncertainty quantification over a set of different experimental setups.
Authors: Oluwamayowa O. Amusat, Luka Grbcic, Remi Patureau, M. Jibran S. Zuberi, Dan Gunter, Michael Wetter
Abstract: Designing reliable integrated energy systems for industrial processes requires optimization and verification models across multiple fidelities, from architecture-level sizing to high-fidelity dynamic operation. However, model mismatch across fidelities obscures the sources of performance loss and complicates the quantification of architecture-to-operation performance gaps. We propose an online, machine-learning-accelerated multi-resolution optimization framework that estimates an architecture-specific upper bound on achievable performance while minimizing expensive high-fidelity model evaluations. We demonstrate the approach on a pilot energy system supplying a 1 MW industrial heat load. First, we solve a multi-objective architecture optimization to select the system configuration and component capacities. We then develop an machine learning (ML)-accelerated multi-resolution, receding-horizon optimal control strategy that approaches the achievable-performance bound for the specified architecture, given the additional controls and dynamics not captured by the architectural optimization model. The ML-guided controller adaptively schedules the optimization resolution based on predictive uncertainty and warm-starts high-fidelity solves using elite low-fidelity solutions. Our results on the pilot case study show that the proposed multi-resolution strategy reduces the architecture-to-operation performance gap by up to 42% relative to a rule-based controller, while reducing required high-fidelity model evaluations by 34% relative to the same multi-fidelity approach without ML guidance, enabling faster and more reliable design verification. Together, these gains make high-fidelity verification tractable, providing a practical upper bound on achievable operational performance.
Authors: Zeyu Xia, Tyler Kim, Trevor Reed, Judy Fox, Geoffrey Fox, Adam Szczepaniak
Abstract: High-fidelity Monte Carlo simulations and complex inverse problems, such as mapping smeared experimental observations to ground-truth states, are computationally intensive yet essential for robust data analysis. Conditional Flow Matching (CFM) offers a mathematically robust approach to accelerating these tasks, but we demonstrate its standard training loss is fundamentally misleading. In rigorous physics applications, CFM loss plateaus prematurely, serving as an unreliable indicator of true convergence and physical fidelity. To investigate this disconnect, we designed JetPrism, a configurable CFM framework acting as an efficient generative surrogate for evaluating unconditional generation and conditional detector unfolding. Using synthetic stress tests and a Jefferson Lab kinematic dataset ($\gamma p \to \rho^0 p \to \pi^+\pi^- p$) relevant to the forthcoming Electron-Ion Collider (EIC), we establish that physics-informed metrics continue to improve significantly long after the standard loss converges. Consequently, we propose a multi-metric evaluation protocol incorporating marginal and pairwise $\chi^2$ statistics, $W_1$ distances, correlation matrix distances ($D_{\mathrm{corr}}$), and nearest-neighbor distance ratios ($R_{\mathrm{NN}}$). By demonstrating that domain-specific evaluations must supersede generic loss metrics, this work establishes JetPrism as a dependable generative surrogate that ensures precise statistical agreement with ground-truth data without memorizing the training set. While demonstrated in nuclear physics, this diagnostic framework is readily extensible to parameter generation and complex inverse problems across broad domains. Potential applications span medical imaging, astrophysics, semiconductor discovery, and quantitative finance, where high-fidelity simulation, rigorous inversion, and generative reliability are critical.
Authors: Haseeb Tariq, Alen Kaja, Marwan Hassani
Abstract: Money launderers take advantage of limitations in existing detection approaches by hiding their financial footprints in a deceitful manner. They manage this by replicating transaction patterns that the monitoring systems cannot easily distinguish. As a result, criminally gained assets are pushed into legitimate financial channels without drawing attention. Algorithms developed to monitor money flows often struggle with scale and complexity. The difficulty of identifying such activities is further intensified by the (persistent) inability of current solutions to control the excessive number of false positive signals produced by rigid, risk-based rules systems. We propose a framework called ReDiRect (REduce, DIstribute, and RECTify), specifically designed to overcome these challenges. The primary contribution of our work is a novel framing of this problem in an unsupervised setting; where a large transaction graph is fuzzily partitioned into smaller, manageable components to enable fast processing in a distributed manner. In addition, we define a refined evaluation metric that better captures the effectiveness of exposed money laundering patterns. Through comprehensive experimentation, we demonstrate that our framework achieves superior performance compared to existing and state-of-the-art techniques, particularly in terms of efficiency and real-world applicability. For validation, we used the real (open source) Libra dataset and the recently released synthetic datasets by IBM Watson. Our code and datasets are available at https://github.com/mhaseebtariq/redirect.
Authors: Zhongwei Yu, Rasul Tutunov, Alexandre Max Maraval, Zikai Xie, Zhenzhi Tan, Jiankang Wang, Zijing Li, Liangliang Xu, Qi Yang, Jun Jiang, Sanzhong Luo, Zhenxiao Guo, Haitham Bou-Ammar, Jun Wang
Abstract: Traditional scientific discovery relies on an iterative hypothesise-experiment-refine cycle that has driven progress for centuries, but its intuitive, ad-hoc implementation often wastes resources, yields inefficient designs, and misses critical insights. This tutorial presents Bayesian Optimisation (BO), a principled probability-driven framework that formalises and automates this core scientific cycle. BO uses surrogate models (e.g., Gaussian processes) to model empirical observations as evolving hypotheses, and acquisition functions to guide experiment selection, balancing exploitation of known knowledge and exploration of uncharted domains to eliminate guesswork and manual trial-and-error. We first frame scientific discovery as an optimisation problem, then unpack BO's core components, end-to-end workflows, and real-world efficacy via case studies in catalysis, materials science, organic synthesis, and molecule discovery. We also cover critical technical extensions for scientific applications, including batched experimentation, heteroscedasticity, contextual optimisation, and human-in-the-loop integration. Tailored for a broad audience, this tutorial bridges AI advances in BO with practical natural science applications, offering tiered content to empower cross-disciplinary researchers to design more efficient experiments and accelerate principled scientific discovery.
Authors: Marawan Gamal Abdel Hameed, Derek Tam, Pascal Jr Tikeng Notsawo, Colin Raffel, Guillaume Rabusseau
Abstract: Model merging provides a way of cheaply combining individual models to produce a model that inherits each individual's capabilities. While some merging methods can approach the performance of multitask training, they are often heuristically motivated and lack theoretical justification. A principled alternative is to pose model merging as a layer-wise optimization problem that directly minimizes interference between tasks. However, this formulation requires estimating per-layer covariance matrices from data, which may not be available when performing merging. In contrast, many of the heuristically-motivated methods do not require auxiliary data, making them practically advantageous. In this work, we revisit the interference minimization framework and show that, under certain conditions, covariance matrices can be estimated directly from difference matrices, eliminating the need for data while also reducing computational costs. We validate our approach across vision and language benchmarks on models ranging from 86M parameters to 7B parameters, outperforming previous data-free state-of-the-art merging methods
Authors: Wenjing Wang, Wenxuan Wang, Songning Lai
Abstract: While deep learning has significantly advanced accident anticipation, the robustness of these safety-critical systems against real-world perturbations remains a major challenge. We reveal that state-of-the-art models like CRASH, despite their high performance, exhibit significant instability in predictions and latent representations when faced with minor input perturbations, posing serious reliability risks. To address this, we introduce SECURE - Stable Early Collision Understanding Robust Embeddings, a framework that formally defines and enforces model robustness. SECURE is founded on four key attributes: consistency and stability in both prediction space and latent feature space. We propose a principled training methodology that fine-tunes a baseline model using a multi-objective loss, which minimizes divergence from a reference model and penalizes sensitivity to adversarial perturbations. Experiments on DAD and CCD datasets demonstrate that our approach not only significantly enhances robustness against various perturbations but also improves performance on clean data, achieving new state-of-the-art results.
Authors: Ahmer Raza, Hudson Smith
Abstract: Multivariate Hawkes processes are a widely used class of self-exciting point processes, but maximum likelihood estimation naively scales as $O(N^2)$ in the number of events. The canonical linear exponential Hawkes process admits a faster $O(N)$ recurrence, but prior work evaluates this recurrence sequentially, without exploiting parallelization on modern GPUs. We show that the Hawkes process intensity can be expressed as a product of sparse transition matrices admitting a linear-time associative multiply, enabling computation via a parallel prefix scan. This yields a simple yet massively parallelizable algorithm for maximum likelihood estimation of linear exponential Hawkes processes. Our method reduces the computational complexity to approximately $O(N/P)$ with $P$ parallel processors, and naturally yields a batching scheme to maintain constant memory usage, avoiding GPU memory constraints. Importantly, it computes the exact likelihood without any additional assumptions or approximations, preserving the simplicity and interpretability of the model. We demonstrate orders-of-magnitude speedups on simulated and real datasets, scaling to thousands of nodes and tens of millions of events, substantially beyond scales reported in prior work. We provide an open-source PyTorch library implementing our optimizations.
Authors: Vikram Krishnamurthy, Luke Snow
Abstract: Inverse reinforcement learning (IRL) recovers the loss function of a forward learner from its observed responses adaptive IRL aims to reconstruct the loss function of a forward learner by passively observing its gradients as it performs reinforcement learning (RL). This paper proposes a novel passive Langevin-based algorithm that achieves adaptive IRL. The key difficulty in adaptive IRL is that the required gradients in the passive algorithm are counterfactual, that is, they are conditioned on events of probability zero under the forward learner's trajectory. Therefore, naive Monte Carlo estimators are prohibitively inefficient, and kernel smoothing, though common, suffers from slow convergence. We overcome this by employing Malliavin calculus to efficiently estimate the required counterfactual gradients. We reformulate the counterfactual conditioning as a ratio of unconditioned expectations involving Malliavin quantities, thus recovering standard estimation rates. We derive the necessary Malliavin derivatives and their adjoint Skorohod integral formulations for a general Langevin structure, and provide a concrete algorithmic approach which exploits these for counterfactual gradient estimation.
Authors: Brandon Yee, Pairie Koh
Abstract: Reservoir simulation workflows face a fundamental data asymmetry: input parameter fields (geostatistical permeability realizations, porosity distributions) are free to generate in arbitrary quantities, yet existing neural operator surrogates require large corpora of expensive labeled simulation trajectories and cannot exploit this unlabeled structure. We introduce \textbf{PI-JEPA} (Physics-Informed Joint Embedding Predictive Architecture), a surrogate pretraining framework that trains \emph{without any completed PDE solves}, using masked latent prediction on unlabeled parameter fields under per-sub-operator PDE residual regularization. The predictor bank is structurally aligned with the Lie--Trotter operator-splitting decomposition of the governing equations, dedicating a separate physics-constrained latent module to each sub-process (pressure, saturation transport, reaction), enabling fine-tuning with as few as 100 labeled simulation runs. On single-phase Darcy flow, PI-JEPA achieves $1.9\times$ lower error than FNO and $2.4\times$ lower error than DeepONet at $N_\ell{=}100$, with 24\% improvement over supervised-only training at $N_\ell{=}500$, demonstrating that label-free surrogate pretraining substantially reduces the simulation budget required for multiphysics surrogate deployment.
Authors: Qing Zhu, Xian Yu
Abstract: Offline reinforcement learning (RL) has received increasing attention for learning policies from previously collected data without interaction with the real environment, which is particularly important in high-stakes applications. While a growing body of work has developed offline RL algorithms, these methods often rely on restrictive assumptions about data coverage and suffer from distribution shift. In this paper, we propose a residuals-based offline RL framework for general state and action spaces. Specifically, we define a residuals-based Bellman optimality operator that explicitly incorporates estimation error in learning transition dynamics into policy optimization by leveraging empirical residuals. We show that this Bellman operator is a contraction mapping and identify conditions under which its fixed point is asymptotically optimal and possesses finite-sample guarantees. We further develop a residuals-based offline deep Q-learning (DQN) algorithm. Using a stochastic CartPole environment, we demonstrate the effectiveness of our residuals-based offline DQN algorithm.
Authors: Urs Hackstein, Jordi Alastruey, Philip Aston, Ciaran Bench, Peter H. Charlton, Loic Coquelin, Nando Hegemann, Vaidotas Marozas, Mohammad Moulaeifard, Manasi Nandi, Andrius Petrenas, Oskar Pfeffer, Mantas Rinkevicius, Andrius Solosenko, Nils Strodthoff, Sara Vardanega
Abstract: This report is part of the Qumphy project (22HLT01 Qumphy) that is funded by the European Union and is dedicated to the development of measures to quantify the uncertainties associated with Machine Learning algorithms applied to medical problems, in particular the analysis and processing of Photoplethysmography (PPG) signals. In this report, a list of six medical problems that are related to PPG signals and serve as Benchmark Problems is given. Suitable Benchmark datasets and their usage are described also.
Authors: Nicholas Roberts, Sungjun Cho, Zhiqi Gao, Tzu-Heng Huang, Albert Wu, Gabriel Orlanski, Avi Trost, Kelly Buchanan, Aws Albarghouthi, Frederic Sala
Abstract: Modern LLMs scale at test-time, e.g. via repeated sampling, where inference cost grows with model size and the number of samples. This creates a trade-off that pretraining scaling laws, such as Chinchilla, do not address. We present Train-to-Test ($T^2$) scaling laws that jointly optimize model size, training tokens, and number of inference samples under fixed end-to-end budgets. $T^2$ modernizes pretraining scaling laws with pass@$k$ modeling used for test-time scaling, then jointly optimizes pretraining and test-time decisions. Forecasts from $T^2$ are robust over distinct modeling approaches: measuring joint scaling effect on the task loss and modeling impact on task accuracy. Across eight downstream tasks, we find that when accounting for inference cost, optimal pretraining decisions shift radically into the overtraining regime, well-outside of the range of standard pretraining scaling suites. We validate our results by pretraining heavily overtrained models in the optimal region that $T^2$ scaling forecasts, confirming their substantially stronger performance compared to pretraining scaling alone. Finally, as frontier LLMs are post-trained, we show that our findings survive the post-training stage, making $T^2$ scaling meaningful in modern deployments.
Authors: Arslan Chaudhry, Sridhar Thiagarajan, Andrew Lampinen
Abstract: Language Models (LMs) exhibit two distinct mechanisms for knowledge acquisition: in-weights learning (i.e., encoding information within the model weights) and in-context learning (ICL). Although these two modes offer complementary strengths, in-weights learning frequently struggles to facilitate deductive reasoning over the internalized knowledge. We characterize this limitation as a deficit in latent generalization, of which the reversal curse is one example. Conversely, in-context learning demonstrates highly robust latent generalization capabilities. To improve latent generalization from in-weights knowledge, prior approaches rely on train-time data augmentation, yet these techniques are task-specific, scale poorly, and fail to generalize to out-of-distribution knowledge. To overcome these shortcomings, this work studies how models can be taught to use test-time compute, or 'thinking', specifically to improve latent generalization. We use Reinforcement Learning (RL) from correctness feedback to train models to produce long chains-of-thought (CoTs) to improve latent generalization. Our experiments show that this thinking approach not only resolves many instances of latent generalization failures on in-distribution knowledge but also, unlike augmentation baselines, generalizes to new knowledge for which no RL was performed. Nevertheless, on pure reversal tasks, we find that thinking does not unlock direct knowledge inversion, but the generate-and-verify ability of thinking models enables them to get well above chance performance. The brittleness of factual self-verification means thinking models still remain well below the performance of in-context learning for this task. Overall, our results establish test-time thinking as a flexible and promising direction for improving the latent generalization of LMs.
Authors: Rui Wu, Ruixiang Tang
Abstract: Reinforcement learning for LLMs is vulnerable to reward hacking, where models exploit shortcuts to maximize reward without solving the intended task. We systematically study this phenomenon in coding tasks using an environment-manipulation setting, where models can rewrite evaluator code to trivially pass tests without solving the task, as a controlled testbed. Across both studied models, we identify a reproducible three-phase rebound pattern: models first attempt to rewrite the evaluator but fail, as their rewrites embed test cases their own solutions cannot pass. They then temporarily retreat to legitimate solving. When legitimate reward remains scarce, they rebound into successful hacking with qualitatively different strategies. Using representation engineering, we extract concept directions for shortcut, deception, and evaluation awareness from domain-general contrastive pairs and find that the shortcut direction tracks hacking behavior most closely, making it an effective representational proxy for detection. Motivated by this finding, we propose Advantage Modification, which integrates shortcut concept scores into GRPO advantage computation to penalize hacking rollouts before policy updates. Because the penalty is internalized into the training signal rather than applied only at inference time, Advantage Modification provides more robust suppression of hacking compared with generation-time activation steering.
Authors: Thomas Banker, Nathan P. Lawrence, Ali Mesbah
Abstract: Reinforcement learning (RL) and model predictive control (MPC) offer complementary strengths, yet combining them at scale remains computationally challenging. We propose soft MPCritic, an RL-MPC framework that learns in (soft) value space while using sample-based planning for both online control and value target generation. soft MPCritic instantiates MPC through model predictive path integral control (MPPI) and trains a terminal Q-function with fitted value iteration, aligning the learned value function with the planner and implicitly extending the effective planning horizon. We introduce an amortized warm-start strategy that recycles planned open-loop action sequences from online observations when computing batched MPPI-based value targets. This makes soft MPCritic computationally practical, while preserving solution quality. soft MPCritic plans in a scenario-based fashion with an ensemble of dynamic models trained for next-step prediction accuracy. Together, these ingredients enable soft MPCritic to learn effectively through robust, short-horizon planning on classic and complex control tasks. These results establish soft MPCritic as a practical and scalable blueprint for synthesizing MPC policies in settings where policy extraction and direct, long-horizon planning may fail.
Authors: Arshia Ilaty, Hossein Shirazi, Amir Rahmani, Hajar Homayouni
Abstract: The development of robust clinical decision support systems is frequently impeded by the scarcity of high-fidelity, privacy-preserving biomedical data. While Generative Large Language Models (LLMs) offer a promising avenue for synthetic data generation, they often struggle to capture the complex, non-linear dependencies and severe class imbalances inherent in Electronic Health Records (EHR), leading to statistically plausible but clinically invalid records. To bridge this gap, we introduce DISCO-TAB (DIScriminator-guided COntrol for TABular synthesis), a novel framework that orchestrates a fine-tuned LLM with a multi-objective discriminator system optimized via Reinforcement Learning. Unlike prior methods relying on scalar feedback, DISCO-TAB evaluates synthesis at four granularities, token, sentence, feature, and row, while integrating Automated Constraint Discovery and Inverse-Frequency Reward Shaping to autonomously preserve latent medical logic and resolve minority-class collapse. We rigorously validate our framework across diverse benchmarks, including high-dimensional, small-sample medical datasets (e.g., Heart Failure, Parkinson's). Our results demonstrate that hierarchical feedback yields state-of-the-art performance, achieving up to 38.2% improvement in downstream clinical classifier utility compared to GAN and Diffusion baselines, while ensuring exceptional statistical fidelity (JSD < 0.01) and robust resistance to membership inference attacks. This work establishes a new standard for generating trustworthy, utility-preserving synthetic tabular data for sensitive healthcare applications.
Authors: Tara Saba, Anne Ouyang, Xujie Si, Fan Long
Abstract: High-performance GPU kernels are critical to modern machine learning systems, yet developing efficient implementations remains a challenging, expert-driven process due to the tight coupling between algorithmic structure, memory hierarchy usage, and hardware-specific optimizations. Recent work has explored using large language models (LLMs) to generate GPU kernels automatically, but generated implementations often struggle to maintain correctness and achieve competitive performance across iterative refinements. We present CuTeGen, an agentic framework for automated generation and optimization of GPU kernels that treats kernel development as a structured generate--test--refine workflow. Unlike approaches that rely on one-shot generation or large-scale search over candidate implementations, CuTeGen focuses on progressive refinement of a single evolving kernel through execution-based validation, structured debugging, and staged optimization. A key design choice is to generate kernels using the CuTe abstraction layer, which exposes performance-critical structures such as tiling and data movement while providing a more stable representation for iterative modification. To guide performance improvement, CuTeGen incorporates workload-aware optimization prompts and delayed integration of profiling feedback. Experimental results on matrix multiplication and activation workloads demonstrate that the framework produces functionally correct kernels and achieves competitive performance relative to optimized library implementations.
Authors: William Hoy, Binxu Wang, Xu Pan
Abstract: Evolution Strategies (ES) have emerged as a scalable gradient-free alternative to reinforcement learning based LLM fine-tuning, but it remains unclear whether comparable task performance implies comparable solutions in parameter space. We compare ES and Group Relative Policy Optimization (GRPO) across four tasks in both single-task and sequential continual-learning settings. ES matches or exceeds GRPO in single-task accuracy and remains competitive sequentially when its iteration budget is controlled. Despite this similarity in task performance, the two methods produce markedly different model updates: ES makes much larger changes and induces broader off-task KL drift, whereas GRPO makes smaller, more localized updates. Strikingly, the ES and GRPO solutions are linearly connected with no loss barrier, even though their update directions are nearly orthogonal. We develop an analytical theory of ES that explains all these phenomena within a unified framework, showing how ES can accumulate large off-task movement on weakly informative directions while still making enough progress on the task to match gradient-based RL in downstream accuracy. These results show that gradient-free and gradient-based fine-tuning can reach similarly accurate yet geometrically distinct solutions, with important consequences for forgetting and knowledge preservation. The source code is publicly available: https://github.com/Bhoy1/ESvsGRPO.
Authors: Zhanliang Wang, Hongzhuo Chen, Quan Minh Nguyen, Mian Umair Ahsan, Kai Wang
Abstract: Long-tailed classification, where a small number of frequent classes dominate many rare ones, remains challenging because models systematically favor frequent classes at inference time. Existing post-hoc methods such as logit adjustment address this by adding a fixed classwise offset to the base-model logits. However, the correction required to restore the relative ranking of two classes need not be constant across inputs, and a fixed offset cannot adapt to such variation. We study this problem through Bayes-optimal reranking on a base-model top-k shortlist. The gap between the optimal score and the base score, the residual correction, decomposes into a classwise component that is constant within each class, and a pairwise component that depends on the input and competing labels. When the residual is purely classwise, a fixed offset suffices to recover the Bayes-optimal ordering. We further show that when the same label pair induces incompatible ordering constraints across contexts, no fixed offset can achieve this recovery. This decomposition leads to testable predictions regarding when pairwise correction can improve performance and when cannot. We develop REPAIR (Reranking via Pairwise residual correction), a lightweight post-hoc reranker that combines a shrinkage-stabilized classwise term with a linear pairwise term driven by competition features on the shortlist. Experiments on five benchmarks spanning image classification, species recognition, scene recognition, and rare disease diagnosis confirm that the decomposition explains where pairwise correction helps and where classwise correction alone suffices.
Authors: Hung Manh Pham, Jialu Tang, Aaqib Saeed, Dong Ma, Bin Zhu, Pan Zhou
Abstract: Electrocardiograms (ECGs) are among the most widely used diagnostic tools for cardiovascular diseases, and a large amount of ECG data worldwide appears only in image form. However, most existing automated ECG analysis methods rely on access to raw signal recordings, limiting their applicability in real-world and resource-constrained settings. In this paper, we present ECG-Scan, a self-supervised framework for learning clinically generalized representations from ECG images through dual physiological-aware alignments: 1) Our approach optimizes image representation learning using multimodal contrastive alignment between image and gold-standard signal-text modalities. 2) We further integrate domain knowledge via soft-lead constraints, regularizing the reconstruction process and improving signal lead inter-consistency. Extensive benchmarking across multiple datasets and downstream tasks demonstrates that our image-based model achieves superior performance compared to existing image baselines and notably narrows the gap between ECG image and signal analysis. These results highlight the potential of self-supervised image modeling to unlock large-scale legacy ECG data and broaden access to automated cardiovascular diagnostics.
Authors: Yixiao Wang, Ting Jiang, Zishan Shao, Hancheng Ye, Jingwei Sun, Mingyuan Ma, Jianyi Zhang, Yiran Chen, Hai Li
Abstract: Denoising generative models deliver high-fidelity generation but remain bottlenecked by inference latency due to the many iterative denoiser calls required during sampling. Training-free acceleration methods reduce latency by either sparsifying the model architecture or shortening the sampling trajectory. Current training-free acceleration methods are more complex than necessary: higher-order predictors amplify error under aggressive speedups, and architectural modifications hinder deployment. Beyond 2x acceleration, step skipping creates structural scarcity -- at most one fresh evaluation per local window -- leaving the computed output and its backward difference as the only causally grounded information. Based on this, we propose ZEUS, an acceleration method that predicts reduced denoiser evaluations using a second-order predictor, and stabilizes aggressive consecutive skipping with an interleaved scheme that avoids back-to-back extrapolations. ZEUS adds essentially zero overhead, no feature caches, and no architectural modifications, and it is compatible with different backbones, prediction objectives, and solver choices. Across image and video generation, ZEUS consistently improves the speed-fidelity performance over recent training-free baselines, achieving up to 3.2x end-to-end speedup while maintaining perceptual quality. Our code is available at: https://github.com/Ting-Justin-Jiang/ZEUS.
Authors: Shalima Binta Manir, Tim Oates
Abstract: Large language models deployed in supportive or advisory roles must balance helpfulness with preservation of user autonomy, yet standard alignment methods primarily optimize for helpfulness and harmlessness without explicitly modeling relational risks such as dependency reinforcement, overprotection, or coercive guidance. We introduce Care-Conditioned Neuromodulation (CCN), a state-dependent control framework in which a learned scalar signal derived from structured user state and dialogue context conditions response generation and candidate selection. We formalize this setting as an autonomy-preserving alignment problem and define a utility function that rewards autonomy support and helpfulness while penalizing dependency and coercion. We also construct a benchmark of relational failure modes in multi-turn dialogue, including reassurance dependence, manipulative care, overprotection, and boundary inconsistency. On this benchmark, care-conditioned candidate generation combined with utility-based reranking improves autonomy-preserving utility by +0.25 over supervised fine-tuning and +0.07 over preference optimization baselines while maintaining comparable supportiveness. Pilot human evaluation and zero-shot transfer to real emotional-support conversations show directional agreement with automated metrics. These results suggest that state-dependent control combined with utility-based selection is a practical approach to multi-objective alignment in autonomy-sensitive dialogue.
Authors: Shota Takashiro, Masanori Koyama, Takeru Miyato, Yusuke Iwasawa, Yutaka Matsuo, Kohei Hayashi
Abstract: We extend the recent latent recurrent modeling to sequential input streams. By interleaving fast, recurrent latent updates with self-organizational ability between slow observation updates, our method facilitates the learning of stable internal structures that evolve alongside the input. This mechanism allows the model to maintain coherent and clustered representations over long horizons, improving out-of-distribution generalization in reinforcement learning and algorithmic tasks compared to sequential baselines such as LSTM, state space models, and Transformer variants.
Authors: Manisha Sapkota, Min Li, Bowei Li
Abstract: Uncertainty propagation in high-dimensional nonlinear dynamic structural systems is pivotal in state-of-the-art performance-based design and risk assessment, where uncertainties from both excitations and structures, i.e., the aleatoric uncertainty, must be considered. This poses a significant challenge due to heavy computational demands. Machine learning techniques are thus introduced as metamodels to alleviate this burden. However, the "black box" nature of Machine learning models underscores the necessity of avoiding overly confident predictions, particularly when data and training efforts are insufficient. This creates a need, in addition to considering the aleatoric uncertainty, of estimating the uncertainty related to the prediction confidence, i.e., epistemic uncertainty, for machine learning-based metamodels. We developed a probabilistic metamodeling technique based on a variational long short-term memory (LSTM) with augmented inputs to simultaneously capture aleatoric and epistemic uncertainties. Key random system parameters are treated as augmented inputs alongside excitation series carrying record-to-record variability to capture the full range of aleatoric uncertainty. Meanwhile, epistemic uncertainty is effectively approximated via the Monte Carlo dropout scheme. Unlike computationally expensive full Bayesian approaches, this method incurs negligible additional training costs while enabling nearly cost-free uncertainty simulation. The proposed technique is demonstrated through multiple case studies involving stochastic seismic or wind excitations. Results show that the calibrated metamodels accurately reproduce nonlinear response time histories and provide confidence bounds indicating the associated epistemic uncertainty.
Authors: Lincan Li, Rikuto Kotoge, Xihao Piao, Zheng Chen, Yushun Dong
Abstract: Seizure detection from EEG signals is highly challenging due to complex spatiotemporal dynamics and extreme inter-patient variability. To model them, recent methods construct dynamic graphs via statistical correlations, predefined similarity measures, or implicit learning, yet rarely account for EEG's noisy nature. Consequently, these graphs usually contain redundant or task-irrelevant connections, undermining model performance even with state-of-the-art architectures. In this paper, we present a new perspective for EEG seizure detection: jointly learning denoised dynamic graph structures and informative spatial-temporal representations guided by the Information Bottleneck (IB). Unlike prior approaches, our graph constructor explicitly accounts for the noisy characteristics of EEG data, producing compact and reliable connectivity patterns that better support downstream seizure detection. To further enhance representation learning, we employ a self-supervised Graph Masked AutoEncoder that reconstructs masked EEG signals based on dynamic graph context, promoting structure-aware and compact representations aligned with the IB principle. Bringing things together, we introduce Information Bottleneck-guided EEG SeizuRE DetectioN via SElf-Supervised Learning (IRENE), which explicitly learns dynamic graph structures and interpretable spatial-temporal EEG representations. IRENE addresses three core challenges: (i) Identifying the most informative nodes and edges; (ii) Explaining seizure propagation in the brain network; and (iii) Enhancing robustness against label scarcity and inter-patient variability. Extensive experiments on benchmark EEG datasets demonstrate that our method outperforms state-of-the-art baselines in seizure detection and provides clinically meaningful insights into seizure dynamics. The source code is available at https://github.com/LabRAI/IRENE.
Authors: Dong Shu, Denghui Zhang, Jessica Hullman
Abstract: Traditional RL algorithms like Proximal Policy Optimization (PPO) typically train on the entire rollout buffer, operating under the assumption that all generated episodes provide a beneficial optimization signal. However, these episodes frequently contain noisy or unfaithful reasoning, which can degrade model performance and slow down training. In this paper, we propose \textbf{Influence-Guided PPO (I-PPO)}, a novel framework that integrates data attribution into the RL post-training loop. By calculating an influence score for each episode using a gradient-based approximation, I-PPO identifies and eliminates episodes that are anti-aligned with a validation gradient. Our experiments demonstrate that I-PPO consistently outperforms SFT and PPO baselines. We show that our filtering process acts as an intrinsic early stopping mechanism, accelerating training efficiency while effectively reducing unfaithful CoT reasoning.
Authors: Deeptanshu Malu, Deevyanshu Malu, Aditya Nemiwal, Sunita Sarawagi
Abstract: We investigate training strategies that co-develop in-context learning (ICL) and in-weights learning (IWL), and the ability to switch between them based on context relevance. Although current LLMs exhibit both modes, standard task-specific fine-tuning often erodes ICL, motivating IC-Train - fine-tuning with in-context examples. Prior work has shown that emergence of ICL after IC-Train depends on factors such as task diversity and training duration. In this paper we show that the similarity structure between target inputs and context examples also plays an important role. Random context leads to loss of ICL and IWL dominance, while only similar examples in context causes ICL to degenerate to copying labels without regard to relevance. To address this, we propose a simple Contrastive-Context which enforces two types of contrasts: (1) mix of similar and random examples within a context to evolve a correct form of ICL, and (2) varying grades of similarity across contexts to evolve ICL-IWL mixtures. We present insights on the importance of such contrast with theoretical analysis of a minimal model. We validate with extensive empirical evaluation on four LLMs and several tasks. Diagnostic probes confirm that contrasted contexts yield stable ICL-IWL mixtures, avoiding collapse into pure ICL, IWL, or copying.
Authors: Taisuke Kobayashi
Abstract: In reinforcement learning (RL), temporal difference (TD) errors are widely adopted for optimizing value and policy functions. However, since the TD error is defined by a bootstrap method, its computation tends to be noisy and destabilize learning. Heuristics to improve the accuracy of TD errors, such as target networks and ensemble models, have been introduced so far. While these are essential approaches for the current deep RL algorithms, they cause side effects like increased computational cost and reduced learning efficiency. Therefore, this paper revisits the TD learning algorithm based on control as inference, deriving a novel algorithm capable of robust learning against noisy TD errors. First, the distribution model of optimality, a binary random variable, is represented by a sigmoid function. Alongside forward and reverse Kullback-Leibler divergences, this new model derives a robust learning rule: when the sigmoid function saturates with a large TD error probably due to noise, the gradient vanishes, implicitly excluding it from learning. Furthermore, the two divergences exhibit distinct gradient-vanishing characteristics. Building on these analyses, the optimality is decomposed into multiple levels to achieve pseudo-quantization of TD errors, aiming for further noise reduction. Additionally, a Jensen-Shannon divergence-based approach is approximately derived to inherit the characteristics of both divergences. These benefits are verified through RL benchmarks, demonstrating stable learning even when heuristics are insufficient or rewards contain noise.
Authors: Shuibai Zhang, Caspian Zhuang, Chihan Cui, Zhihan Yang, Fred Zhangzhi Peng, Yanxin Zhang, Haoyue Bai, Zack Jia, Yang Zhou, Guanhua Chen, Ming Liu
Abstract: Diffusion language models (DLMs) enable parallel, non-autoregressive text generation, yet existing DLM mixture-of-experts (MoE) models inherit token-choice (TC) routing from autoregressive systems, leading to load imbalance and rigid computation allocation. We show that expert-choice (EC) routing is a better fit for DLMs: it provides deterministic load balancing by design, yielding higher throughput and faster convergence than TC. Building on the property that EC capacity is externally controllable, we introduce timestep-dependent expert capacity, which varies expert allocation according to the denoising step. We find that allocating more capacity to low-mask-ratio steps consistently achieves the best performance under matched FLOPs, and provide a mechanistic explanation: tokens in low-mask-ratio contexts exhibit an order-of-magnitude higher learning efficiency, so concentrating compute on these steps yields the largest marginal return. Finally, we show that existing pretrained TC DLMs can be retrofitted to EC by replacing only the router, achieving faster convergence and improved accuracy across diverse downstream tasks. Together, these results establish EC routing as a superior paradigm for DLM MoE models and demonstrate that computation in DLMs can be treated as an adaptive policy rather than a fixed architectural constant. Code is available at https://github.com/zhangshuibai/EC-DLM.
Authors: Junyoung Sung, Seungwoo Lyu, Minjun Kim, Sumin An, Arsha Nagrani, Paul Hongsuck Seo
Abstract: Real-world reasoning often requires combining information across modalities, connecting textual context with visual cues in a multi-hop process. Yet, most multimodal benchmarks fail to capture this ability: they typically rely on single images or set of images, where answers can be inferred from a single modality alone. This limitation is mirrored in the training data, where interleaved image-text content rarely enforces complementary, multi-hop reasoning. As a result, Vision-Language Models (VLMs) frequently hallucinate and produce reasoning traces poorly grounded in visual evidence. To address this gap, we introduce CRIT, a new dataset and benchmark built with a graph-based automatic pipeline for generating complex cross-modal reasoning tasks. CRIT consists of diverse domains ranging from natural images, videos, and text-rich sources, and includes a manually verified test set for reliable evaluation. Experiments on this benchmark reveal that even state-of-the-art models struggle on such reasoning tasks. Models trained on CRIT show significant gains in cross-modal multi-hop reasoning, including strong improvements on SPIQA and other standard multimodal benchmarks.
Authors: Yunrui Zhang, Gustavo Batista, Salil S. Kanhere
Abstract: An assumption often made in supervised learning is that the training and testing sets have the same label distribution. However, in real-life scenarios, this assumption rarely holds. For example, medical diagnosis result distributions change over time and across locations; fraud detection models must adapt as patterns of fraudulent activity shift; the category distribution of social media posts changes based on trending topics and user demographics. In the task of label shift estimation, the goal is to estimate the changing label distribution $p_t(y)$ in the testing set, assuming the likelihood $p(x|y)$ does not change, implying no concept drift. In this paper, we propose a new approach for post-hoc label shift estimation, unlike previous methods that perform moment matching with confusion matrix estimated from a validation set or maximize the likelihood of the new data with an expectation-maximization algorithm. We aim to incrementally update the prior on each sample, adjusting each posterior for more accurate label shift estimation. The proposed method is based on intuitive assumptions on classifiers that are generally true for modern probabilistic classifiers. The proposed method relies on a weaker notion of calibration compared to other methods. As a post-hoc approach for label shift estimation, the proposed method is versatile and can be applied to any black-box probabilistic classifier. Experiments on CIFAR-10 and MNIST show that the proposed method consistently outperforms the current state-of-the-art maximum likelihood-based methods under different calibrations and varying intensities of label shift.
Authors: Sriram Sattiraju, Vaibhav Gollapalli, Aryan Shah, Timothy McMahan
Abstract: Electroencephalography (EEG) provides a non-invasive insight into the brain's cognitive and emotional dynamics. However, modeling how these states evolve in real time and quantifying the energy required for such transitions remains a major challenge. The Schr\"odinger Bridge Problem (SBP) offers a principled probabilistic framework to model the most efficient evolution between the brain states, interpreted as a measure of cognitive energy cost. While generative models such as GANs have been widely used to augment EEG data, it remains unclear whether synthetic EEG preserves the underlying dynamical structure required for transition-based analysis. In this work, we address this gap by using SBP-derived transport cost as a metric to evaluate whether GAN-generated EEG retains the distributional geometry necessary for energy-based modeling of cognitive state transitions. We compare transition energies derived from real and synthetic EEG collected during Stroop tasks and demonstrate strong agreement across group and participant-level analyses. These results indicate that synthetic EEG preserves the transition structure required for SBP-based modeling, enabling its use in data-efficient neuroadaptive systems. We further present a framework in which SBP-derived cognitive energy serves as a control signal for adaptive human-machine systems, supporting real-time adjustment of system behavior in response to user cognitive and affective state.
Authors: Barak Gahtan, Alex M. Bronstein
Abstract: Standard scaled dot-product attention computes scores from static, independent projections of the input. We show that evolving queries and keys \emph{jointly} through shared learned dynamics before scoring - which we call \textbf{coupled QK dynamics} - improves language modeling perplexity and training stability. On WikiText-103 at 60M parameters, coupled dynamics achieves 22.55--22.62 perplexity vs.\ 24.22 for standard attention ($-$6.6--6.9\%), with only 0.11\% additional parameters (shared across both instantiations). A structural ablation isolates coupling as the active ingredient: a symplectic (Hamiltonian) and a non-symplectic (Euler) integrator perform identically when both couple Q and K, while an uncoupled MLP baseline of matched capacity reaches only 23.81 with 8$\times$ higher seed variance. The integration step count (1--7) is similarly irrelevant - a single coupled step suffices. A compute-matched comparison reveals that coupling is a \emph{sample-efficiency} mechanism: standard attention trained for 2.4$\times$ longer (matching wall-clock) reaches the same perplexity, but requires 2.4$\times$ more tokens. The advantage scales to 150M ($-$6.7\%) but narrows at 350M ($-$1.0\%), where Differential Attention (18.93) overtakes coupled dynamics (19.35). The benefit is corpus-dependent: coupling helps on domain-coherent text (WikiText-103 $-$6.6\%, PubMed $-$4.5\%) but degrades on heterogeneous web text ($+$10.3\%) and shows no benefit on GLUE. We characterize when coupling helps and when it does not, providing practical guidelines.
Authors: Sten R\"udiger, Sebastian Raschka
Abstract: Minor Component Adaptation (MiCA) is a novel parameter-efficient fine-tuning method for large language models that focuses on adapting underutilized subspaces of model representations. Unlike conventional methods such as Low-Rank Adaptation (LoRA), which target dominant subspaces, MiCA leverages Singular Value Decomposition to identify subspaces related to minor singular vectors associated with the least significant singular values and constrains the update of parameters during fine-tuning to those directions. This strategy leads to up to 5.9x improvement in knowledge acquisition under optimized training hyperparameters and a minimal parameter footprint of 6-60% compared to LoRA. These results suggest that constraining adaptation to minor singular directions provides a more efficient and stable mechanism for integrating new knowledge into pre-trained language models.
Authors: Feiyu Zhou, Marios Impraimakis
Abstract: The wind-induced structural response forecasting capabilities of a novel transformer methodology are examined here. The model also provides a digital twin component for bridge structural health monitoring. Firstly, the approach uses the temporal characteristics of the system to train a forecasting model. Secondly, the vibration predictions are compared to the measured ones to detect large deviations. Finally, the identified cases are used as an early-warning indicator of structural change. The artificial intelligence-based model outperforms approaches for response forecasting as no assumption on wind stationarity or on structural normal vibration behavior is needed. Specifically, wind-excited dynamic behavior suffers from uncertainty related to obtaining poor predictions when the environmental or traffic conditions change. This results in a hard distinction of what constitutes normal vibration behavior. To this end, a framework is rigorously examined on real-world measurements from the Hardanger Bridge monitored by the Norwegian University of Science and Technology. The approach captures accurate structural behavior in realistic conditions, and with respect to the changes in the system excitation. The results, importantly, highlight the potential of transformer-based digital twin components to serve as next-generation tools for resilient infrastructure management, continuous learning, and adaptive monitoring over the system's lifecycle with respect to temporal characteristics.
Authors: Zhichong Zheng, Xiaohang Nie, Xueqi Wang, Yuanjin Zhao, Haitao Zhang, Yichao Tang
Abstract: Forecasting evolving clinical risks relies on intrinsic pathological dependencies rather than mere chronological proximity, yet current methods struggle with coarse binary supervision and physical timestamps. To align predictive modeling with clinical logic, we propose the Medical-semantics Aware Time-ALiBi Transformer (MATA-Former), utilizing event semantics to dynamically parameterize attention weights to prioritize causal validity over time lags. Furthermore, we introduce Plateau-Gaussian Soft Labeling (PSL), reformulating binary classification into continuous multi-horizon regression for full-trajectory risk modeling. Evaluated on SIICU -- a newly constructed dataset featuring over 506k events with rigorous expert-verified, fine-grained annotations -- and the MIMIC-IV dataset, our framework demonstrates superior efficacy and robust generalization in capturing risks from text-intensive, irregular clinical time series.
Authors: David Grasev
Abstract: This paper investigates Koopman operator-based approaches for multivariable control of a two-spool turbofan engine. A physics-based component-level model is developed to generate training data and validate the controllers. A meta-heuristic extended dynamic mode decomposition is developed, with a cost function designed to accurately capture both spool-speed dynamics and the engine pressure ratio (EPR), enabling the construction of a single Koopman model suitable for multiple control objectives. Using the identified time-varying Koopman model, two controllers are developed: an adaptive Koopman-based model predictive controller (AKMPC) with a disturbance observer and a Koopman-based feedback linearization controller (K-FBLC), which serves as a benchmark. The controllers are evaluated for two control strategies, namely configurations of spool speeds and EPR, under both sea-level and varying flight conditions. The results demonstrate that the proposed identification approach enables accurate predictions of both spool speeds and EPR, allowing the Koopman model to be reused flexibly across different control formulations. While both control strategies achieve comparable performance in steady conditions, the AKMPC exhibits superior robustness compared with the K-FBLC under varying flight conditions due to its ability to compensate for model mismatch. Moreover, the EPR control strategy improves the thrust response. The study highlights the applicability of Koopman-based control and demonstrates the advantages of the AKMPC-based framework for robust turbofan engine control.
Authors: Giansalvo Cirrincione
Abstract: A persistent structural weakness in deep clustering is the disconnect between feature learning and cluster assignment. Most architectures invoke an external clustering step, typically k-means, to produce pseudo-labels that guide training, preventing the backbone from directly optimising for cluster quality. This paper introduces Deep Dual Competitive Learning (DDCL), the first fully differentiable end-to-end framework for unsupervised prototype-based representation learning. The core contribution is architectural: the external k-means is replaced by an internal Dual Competitive Layer (DCL) that generates prototypes as native differentiable outputs of the network. This single inversion makes the complete pipeline, from backbone feature extraction through prototype generation to soft cluster assignment, trainable by backpropagation through a single unified loss, with no Lloyd iterations, no pseudo-label discretisation, and no external clustering step. To ground the framework theoretically, the paper derives an exact algebraic decomposition of the soft quantisation loss into a simplex-constrained reconstruction error and a non-negative weighted prototype variance term. This identity reveals a self-regulating mechanism built into the loss geometry: the gradient of the variance term acts as an implicit separation force that resists prototype collapse without any auxiliary objective, and leads to a global Lyapunov stability theorem for the reduced frozen-encoder system. Six blocks of controlled experiments validate each structural prediction. The decomposition identity holds with zero violations across more than one hundred thousand training epochs; the negative feedback cycle is confirmed with Pearson -0.98; with a jointly trained backbone, DDCL outperforms its non-differentiable ablation by 65% in clustering accuracy and DeepCluster end-to-end by 122%.
Authors: Juyong Jiang, Fan Wang, Hong Qi, Sunghun Kim, Jing Tang
Abstract: Parameter-efficient fine-tuning (PEFT) has emerged as a crucial paradigm for adapting large language models (LLMs) under constrained computational budgets. However, standard PEFT methods often struggle in multi-task fine-tuning settings, where diverse optimization objectives induce task interference and limited parameter budgets lead to representational deficiency. While recent approaches incorporate mixture-of-experts (MoE) to alleviate these issues, they predominantly operate in the spatial domain, which may introduce structural redundancy and parameter overhead. To overcome these limitations, we reformulate adaptation in the spectral domain. Our spectral analysis reveals that different tasks exhibit distinct frequency energy distributions, and that LLM layers display heterogeneous frequency sensitivities. Motivated by these insights, we propose FourierMoE, which integrates the MoE architecture with the inverse discrete Fourier transform (IDFT) for frequency-aware adaptation. Specifically, FourierMoE employs a frequency-adaptive router to dispatch tokens to experts specialized in distinct frequency bands. Each expert learns a set of conjugate-symmetric complex coefficients, preserving complete phase and amplitude information while theoretically guaranteeing lossless IDFT reconstruction into real-valued spatial weights. Extensive evaluations across 28 benchmarks, multiple model architectures, and scales demonstrate that FourierMoE consistently outperforms competitive baselines in both single-task and multi-task settings while using significantly fewer trainable parameters. These results highlight the promise of spectral-domain expert adaptation as an effective and parameter-efficient paradigm for LLM fine-tuning.
Authors: Xiangzhao Qin, Sha Hu
Abstract: For multi-input and multi-output (MIMO) channels, the optimal channel estimation (CE) based on linear minimum mean square error (LMMSE) requires three-dimensional (3D) filtering. However, the complexity is often prohibitive due to large matrix dimensions. Suboptimal estimators approximate 3DCE by decomposing it into time, frequency, and spatial domains, while yields noticeable performance degradation under correlated MIMO channels. On the other hand, recent advances in deep learning (DL) can explore channel correlations in all domains via attention mechanisms. Building on this capability, we propose a dual attention mechanism based 3DCE network (3DCENet) that can achieve accurate estimates.
Authors: Khai Banh Nghiep, Duc Nguyen Minh, Lan Hoang Thi
Abstract: Although demand forecasting is a critical component of supply chain planning, actual retail data can exhibit irreconcilable seasonality, irregular spikes, and noise, rendering precise projections nearly unattainable. This paper proposes a three-step analytical framework that combines forecasting and operational analytics. The first stage consists of exploratory data analysis, where delivery-tracked data from 180,519 transactions are partitioned, and long-term trends, seasonality, and delivery-related attributes are examined. Secondly, the forecasting performance of a statistical time series decomposition model N-BEATS MSTL and a recent deep learning architecture N-HiTS were compared. N-BEATS and N-HiTS were both statistically, and hence were N-BEATS's and N-HiTS's statistically selected. Most recent time series deep learning models, N-HiTS, N-BEATS. N-HiTS and N-BEATS N-HiTS and N-HiTS outperformed the statistical benchmark to a large extent. N-BEATS was selected to be the most optimized model, as the one with the lowest forecasting error, in the 3rd and final stage forecasting values of the next 4 weeks of 1918 units, and provided those as a model with a set of deterministically integer linear program outcomes that are aimed to minimize the total delivery time with a set of bound budget, capacity, and service constraints. The solution allocation provided a feasible and cost-optimal shipping plan. Overall, the study provides a compelling example of the practical impact of precise forecasting and simple, highly interpretable model optimization in logistics.
Authors: William Howes, Jason Yoo, Kazuma Kobayashi, Subhankar Sarkar, Farid Ahmed, Souvik Chakraborty, Syed Bahauddin Alam
Abstract: Accurate sensing of spatially distributed physical fields typically requires dense instrumentation, which is often infeasible in real-world systems due to cost, accessibility, and environmental constraints. Physics-based solvers address this through direct numerical integration of governing equations, but their computational latency and power requirements preclude real-time use in resource-constrained monitoring and control systems. Here we introduce VIRSO (Virtual Irregular Real-Time Sparse Operator), a graph-based neural operator for sparse-to-dense reconstruction on irregular geometries, and a variable-connectivity algorithm, Variable KNN (V-KNN), for mesh-informed graph construction. Unlike prior neural operators that treat hardware deployability as secondary, VIRSO reframes inference as measurement: the combination of both spectral and spatial analysis provides accurate reconstruction without the high latency and power consumption of previous graph-based methodologies with poor scalability, presenting VIRSO as a potential candidate for edge-constrained, real-time virtual sensing. We evaluate VIRSO on three nuclear thermal-hydraulic benchmarks of increasing geometric and multiphysics complexity, across reconstruction ratios from 47:1 to 156:1. VIRSO achieves mean relative $L_2$ errors below 1%, outperforming other benchmark operators while using fewer parameters. The full 10-layer configuration reduces the energy-delay product (EDP) from ${\approx}206$ J$\cdot$ms for the graph operator baseline to $10.1$ J$\cdot$ms on an NVIDIA H200. Implemented on an NVIDIA Jetson Orin Nano, all configurations of VIRSO provide sub-10 W power consumption and sub-second latency. These results establish the edge-feasibility and hardware-portability of VIRSO and present compute-aware operator learning as a new paradigm for real-time sensing in inaccessible and resource-constrained environments.
Authors: Pantelis Dogoulis, Maxime Cordy
Abstract: Topology control for power grid operation is a challenging sequential decision making problem because the action space grows combinatorially with the size of the grid and action evaluation through simulation is computationally expensive. We propose a physics-informed Reinforcement Learning framework that combines semi-Markov control with a Gibbs prior, that encodes the system's physics, over the action space. The decision is only taken when the grid enters a hazardous regime, while a graph neural network surrogate predicts the post action overload risk of feasible topology actions. These predictions are used to construct a physics-informed Gibbs prior that both selects a small state-dependent candidate set and reweights policy logits before action selection. In this way, our method reduces exploration difficulty and online simulation cost while preserving the flexibility of a learned policy. We evaluate the approach in three realistic benchmark environments of increasing difficulty. Across all settings, the proposed method achieves a strong balance between control quality and computational efficiency: it matches oracle-level performance while being approximately $6\times$ faster on the first benchmark, reaches $94.6\%$ of oracle reward with roughly $200\times$ lower decision time on the second one, and on the most challenging benchmark improves over a PPO baseline by up to $255\%$ in reward and $284\%$ in survived steps while remaining about $2.5\times$ faster than a strong specialized engineering baseline. These results show that our method provides an effective mechanism for topology control in power grids.
Authors: HyunGi Kim, Jisoo Mok, Hyungyu Lee, Juhyeon Shin, Sungroh Yoon
Abstract: Multivariate time-series anomaly detection (MTSAD) aims to identify deviations from normality in multivariate time-series and is critical in real-world applications. However, in real-world deployments, distribution shifts are ubiquitous and cause severe performance degradation in pre-trained anomaly detector. Test-time adaptation (TTA) updates a pre-trained model on-the-fly using only unlabeled test data, making it promising for addressing this challenge. In this study, we propose CANDI (Curated test-time adaptation for multivariate time-series ANomaly detection under DIstribution shift), a novel TTA framework that selectively identifies and adapts to potential false positives while preserving pre-trained knowledge. CANDI introduces a False Positive Mining (FPM) strategy to curate adaptation samples based on anomaly scores and latent similarity, and incorporates a plug-and-play Spatiotemporally-Aware Normality Adaptation (SANA) module for structurally informed model updates. Extensive experiments demonstrate that CANDI significantly improves the performance of MTSAD under distribution shift, improving AUROC up to 14% while using fewer adaptation samples.
Authors: Yiran Ma, Jerome Le Ny, Zhichao Chen, Zhihuan Song
Abstract: In modern process industries, data-driven models are important tools for real-time monitoring when key performance indicators are difficult to measure directly. While accurate predictions are essential, reliable uncertainty quantification (UQ) is equally critical for safety, reliability, and decision-making, but remains a major challenge in current data-driven approaches. In this work, we introduce a diffusion-based posterior sampling framework that inherently produces well-calibrated predictive uncertainty via faithful posterior sampling, eliminating the need for post-hoc calibration. In extensive evaluations on synthetic distributions, the Raman-based phenylacetic acid soft sensor benchmark, and a real ammonia synthesis case study, our method achieves practical improvements over existing UQ techniques in both uncertainty calibration and predictive accuracy. These results highlight diffusion samplers as a principled and scalable paradigm for advancing uncertainty-aware modeling in industrial applications.
Authors: Zhuolong Li, Boxue Yang, Haopeng Chen
Abstract: Spectral graph contrastive learning has emerged as a unified paradigm for handling both homophilic and heterophilic graphs by leveraging high-frequency components. However, we identify a fundamental spectral dilemma: while high-frequency signals are indispensable for encoding heterophily, our theoretical analysis proves they exhibit significantly higher variance under spectrally concentrated perturbations. We derive a regret lower bound showing that existing global (node-agnostic) spectral fusion is provably sub-optimal: on mixed graphs with separated node-wise frequency preferences, any global fusion strategy incurs non-vanishing regret relative to a node-wise oracle. To escape this bound, we propose ASPECT, a framework that resolves this dilemma through a reliability-aware spectral gating mechanism. Formulated as a minimax game, ASPECT employs a node-wise gate that dynamically re-weights frequency channels based on their stability against a purpose-built adversary, which explicitly targets spectral energy distributions via a Rayleigh quotient penalty. This design forces the encoder to learn representations that are both structurally discriminative and spectrally robust. Empirical results show that ASPECT achieves new state-of-the-art performance on 8 out of 9 benchmarks, effectively decoupling meaningful structural heterophily from incidental noise.
Authors: Giansalvo Cirrincione
Abstract: Modern neural networks of the transformer family require the practitioner to decide, before training begins, how many attention heads to use, how deep the network should be, and how wide each component should be. These decisions are made without knowledge of the task, producing architectures that are systematically larger than necessary: empirical studies find that a substantial fraction of heads and layers can be removed after training without performance loss. This paper introduces DDCL-INCRT, an architecture that determines its own structure during training. Two complementary ideas are combined. The first, DDCL (Deep Dual Competitive Learning), replaces the feedforward block with a dictionary of learned prototype vectors representing the most informative directions in the data. The prototypes spread apart automatically, driven by the training objective, without explicit regularisation. The second, INCRT (Incremental Transformer), controls the number of heads: starting from one, it adds a new head only when the directional information uncaptured by existing heads exceeds a threshold. The main theoretical finding is that these two mechanisms reinforce each other: each new head amplifies prototype separation, which in turn raises the signal triggering the next addition. At convergence, the network self-organises into a hierarchy of heads ordered by representational granularity. This hierarchical structure is proved to be unique and minimal, the smallest architecture sufficient for the task, under the stated conditions. Formal guarantees of stability, convergence, and pruning safety are established throughout. The architecture is not something one designs. It is something one derives.
Authors: Chenghao Yue, Zhiyuan Ma, Zhongye Xia, Xinche Zhang, Yisi Zhang, Xinke Shen, Sen Song
Abstract: Electroencephalography (EEG) provides a non-invasive window into brain activity, offering high temporal resolution crucial for understanding and interacting with neural processes through brain-computer interfaces (BCIs). Current dual-stream neural networks for EEG often process temporal and spatial features independently through parallel branches, delaying their integration until a final, late-stage fusion. This design inherently leads to an "information silo" problem, precluding intermediate cross-stream refinement and hindering spatial-temporal decompositions essential for full feature utilization. We propose LI-DSN, a layer-wise interactive dual-stream network that facilitates progressive, cross-stream communication at each layer, thereby overcoming the limitations of late-fusion paradigms. LI-DSN introduces a novel Temporal-Spatial Integration Attention (TSIA) mechanism, which constructs a Spatial Affinity Correlation Matrix (SACM) to capture inter-electrode spatial structural relationships and a Temporal Channel Aggregation Matrix (TCAM) to integrate cosine-gated temporal dynamics under spatial guidance. Furthermore, we employ an adaptive fusion strategy with learnable channel weights to optimize the integration of dual-stream features. Extensive experiments across eight diverse EEG datasets, encompassing motor imagery (MI) classification, emotion recognition, and steady-state visual evoked potentials (SSVEP), consistently demonstrate that LI-DSN significantly outperforms 13 state-of-the-art (SOTA) baseline models, showcasing its superior robustness and decoding performance. The code will be publicized after acceptance.
Authors: Aleksei Khalin, Ekaterina Zaychenkova, Aleksandr Yugay, Andrey Goncharov, Sergey Korchagin, Alexey Zaytsev, Egor Ershov
Abstract: Artificial intelligence (AI) systems accelerate medical workflows and improve diagnostic accuracy in healthcare, serving as second-opinion systems. However, the unpredictability of AI errors poses a significant challenge, particularly in healthcare contexts, where mistakes can have severe consequences. A widely adopted safeguard is to pair predictions with uncertainty estimation, enabling human experts to focus on high-risk cases while streamlining routine verification. Current uncertainty estimation methods, however, remain limited, particularly in quantifying aleatoric uncertainty, which arises from data ambiguity and noise. To address this, we propose a novel approach that leverages disagreement in expert responses to generate targets for training machine learning models. These targets are used in conjunction with standard data labels to estimate two components of uncertainty separately, as given by the law of total variance, via a two-ensemble approach, as well as its lightweight variant. We validate our method on binary image classification, binary and multi-class image segmentation, and multiple-choice question answering. Our experiments demonstrate that incorporating expert knowledge can enhance uncertainty estimation quality by $9\%$ to $50\%$ depending on the task, making this source of information invaluable for the construction of risk-aware AI systems in healthcare applications.
Authors: Zihao Wu, Hongyao Tang, Yi Ma, Jiashun Liu, Yan Zheng, Jianye Hao
Abstract: Deep reinforcement learning (RL) suffers from plasticity loss severely due to the nature of non-stationarity, which impairs the ability to adapt to new data and learn continually. Unfortunately, our understanding of how plasticity loss arises, dissipates, and can be dissolved remains limited to empirical findings, leaving the theoretical end underexplored.To address this gap, we study the plasticity loss problem from the theoretical perspective of network optimization. By formally characterizing the two culprit factors in online RL process: the non-stationarity of data distributions and the non-stationarity of targets induced by bootstrapping, our theory attributes the loss of plasticity to two mechanisms: the rank collapse of the Neural Tangent Kernel (NTK) Gram matrix and the $\Theta(\frac{1}{k})$ decay of gradient magnitude. The first mechanism echoes prior empirical findings from the theoretical perspective and sheds light on the effects of existing methods, e.g., network reset, neuron recycle, and noise injection. Against this backdrop, we focus primarily on the second mechanism and aim to alleviate plasticity loss by addressing the gradient attenuation issue, which is orthogonal to existing methods. We propose Sample Weight Decay -- a lightweight method to restore gradient magnitude, as a general remedy to plasticity loss for deep RL methods based on experience replay. In experiments, we evaluate the efficacy of \methodName upon TD3, \myadded{Double DQN} and SAC with SimBa architecture in MuJoCo, \myadded{ALE} and DeepMind Control Suite tasks. The results demonstrate that \methodName effectively alleviates plasticity loss and consistently improves learning performance across various configurations of deep RL algorithms, UTD, network architectures, and environments, achieving SOTA performance on challenging DMC Humanoid tasks.
Authors: Yuya Ishikawa, Shu Tamano
Abstract: Estimating optimal individualized treatment rules (ITRs) via outcome weighted learning (OWL) often relies on observed rewards that are noisy or optimistic proxies for the true latent utility. Ignoring this reward uncertainty leads to the selection of policies with inflated apparent performance, yet existing OWL frameworks lack the finite-sample guarantees required to systematically embed such uncertainty into the learning objective. To address this issue, we propose PAC-Bayesian Reward-Certified Outcome Weighted Learning (PROWL). Given a one-sided uncertainty certificate, PROWL constructs a conservative reward and a strictly policy-dependent lower bound on the true expected value. Theoretically, we prove an exact certified reduction that transforms robust policy learning into a unified, split-free cost-sensitive classification task. This formulation enables the derivation of a nonasymptotic PAC-Bayes lower bound for randomized ITRs, where we establish that the optimal posterior maximizing this bound is exactly characterized by a general Bayes update. To overcome the learning-rate selection problem inherent in generalized Bayesian inference, we introduce a fully automated, bounds-based calibration procedure, coupled with a Fisher-consistent certified hinge surrogate for efficient optimization. Our experiments demonstrate that PROWL achieves improvements in estimating robust, high-value treatment regimes under severe reward uncertainty compared to standard methods for ITR estimation.
Authors: Ilan Gold, Felix Fischer, Lucas Arnoldt, F. Alexander Wolf, Fabian J. Theis
Abstract: The scale of biological datasets now routinely exceeds system memory, making data access rather than model computation the primary bottleneck in training machine-learning models. This bottleneck is particularly acute in biology, where widely used community data formats must support heterogeneous metadata, sparse and dense assays, and downstream analysis within established computational ecosystems. Here we present annbatch, a mini-batch loader native to anndata that enables out-of-core training directly on disk-backed datasets. Across single-cell transcriptomics, microscopy and whole-genome sequencing benchmarks, annbatch increases loading throughput by up to an order of magnitude and shortens training from days to hours, while remaining fully compatible with the scverse ecosystem. Annbatch establishes a practical data-loading infrastructure for scalable biological AI, allowing increasingly large and diverse datasets to be used without abandoning standard biological data formats. Github: https://github.com/scverse/annbatch
Authors: Kang-Sin Choi
Abstract: We propose LSCP, a self-gated post-training framework for autonomous knowledge acquisition: learning only what a model does not already know, verified against what it does know, at a strength proportional to conviction, with no external oracle. When a passage produces anomalously high per-token loss, LSCP flags it, generates a Q&A chain that forces the model to articulate its own knowledge and identify gaps, then adjusts AdamW's $\beta_2$ proportionally to conviction depth k (the number of self-verification steps the passage survives) via $\beta_2 = 0.999 \cdot r^k$. The entire learning intensity is governed by a single parameter $r$. Beyond new knowledge, this process sharpens weakly encoded existing knowledge, which is a primary source of hallucination. The framework is self-extinguishing: as the model learns, per-token loss on learned passages decreases toward the surprisal threshold and the system progressively converges to standard AdamW. This models biological memory consolidation: temporary information in the context window is selectively consolidated into parametric weights, the model's long-term memory. Experiments on the reference model (Qwen3-14B) and across six models (8B--32B, four families) show that standard fine-tuning produces rote memorization (perturbation gap (the ratio of paraphrase to original perplexity) of 11.6 +- 0.2 x baseline) while all LSCP conditions learn semantically (2.7--3.0x). The r=1.0 condition (identical optimizer, nearly identical data, only Q&A format differs) confirms that the training data format, not $\beta_2$ gating, is the primary mechanism preventing memorization; gating instead protects neighboring knowledge from contamination by corrupt content (93 +- 7% accuracy on adjacent questions at r=0.98 vs. 90% baseline).
Authors: Adrien Weihs, Hayden Schaeffer
Abstract: Multiple operator learning concerns learning operator families $\{G[\alpha]:U\to V\}_{\alpha\in W}$ indexed by an operator descriptor $\alpha$. Training data are collected hierarchically by sampling operator instances $\alpha$, then input functions $u$ per instance, and finally evaluation points $x$ per input, yielding noisy observations of $G[\alpha][u](x)$. While recent work has developed expressive multi-task and multiple operator learning architectures and approximation-theoretic scaling laws, quantitative statistical generalization guarantees remain limited. We provide a covering-number-based generalization analysis for separable models, focusing on the Multiple Neural Operator (MNO) architecture: we first derive explicit metric-entropy bounds for hypothesis classes given by linear combinations of products of deep ReLU subnetworks, and then combine these complexity bounds with approximation guarantees for MNO to obtain an explicit approximation-estimation tradeoff for the expected test error on new (unseen) triples $(\alpha,u,x)$. The resulting bound makes the dependence on the hierarchical sampling budgets $(n_\alpha,n_u,n_x)$ transparent and yields an explicit learning-rate statement in the operator-sampling budget $n_\alpha$, providing a sample-complexity characterization for generalization across operator instances. The structure and architecture can also be viewed as a general purpose solver or an example of a "small'' PDE foundation model, where the triples are one form of multi-modality.
Authors: Yuejiang Liu, Fan Feng, Lingjing Kong, Weifeng Lu, Jinzhou Tang, Kun Zhang, Kevin Murphy, Chelsea Finn, Yilun Du
Abstract: General-purpose world models promise scalable policy evaluation, optimization, and planning, yet achieving the required level of robustness remains challenging. Unlike policy learning, which primarily focuses on optimal actions, a world model must be reliable over a much broader range of suboptimal actions, which are often insufficiently covered by action-labeled interaction data. To address this challenge, we propose World Action Verifier (WAV), a framework that enables world models to identify their own prediction errors and self-improve. The key idea is to decompose action-conditioned state prediction into two factors -- state plausibility and action reachability -- and verify each separately. We show that these verification problems can be substantially easier than predicting future states due to two underlying asymmetries: the broader availability of action-free data and the lower dimensionality of action-relevant features. Leveraging these asymmetries, we augment a world model with (i) a diverse subgoal generator obtained from video corpora and (ii) a sparse inverse model that infers actions from a subset of state features. By enforcing cycle consistency among generated subgoals, inferred actions, and forward rollouts, WAV provides an effective verification mechanism in under-explored regimes, where existing methods typically fail. Across nine tasks spanning MiniGrid, RoboMimic, and ManiSkill, our method achieves 2x higher sample efficiency while improving downstream policy performance by 18%.
Authors: Rafael Pardinas, Ehsan Kamalloo, David Vazquez, Alexandre Drouin
Abstract: Building general-purpose reasoning models using reinforcement learning with verifiable rewards (RLVR) across diverse domains has been widely adopted by frontier open-weight models. However, their training recipes and domain mixtures are often not disclosed. Joint optimization across domains poses significant challenges: domains vary widely in rollout length, problem difficulty and sample efficiency. Further, models with long chain-of-thought traces increase inference cost and latency, making efficiency critical for practical deployment. We present Apriel-Reasoner, trained with a fully reproducible multi-domain RL post-training recipe on Apriel-Base, a 15B-parameter open-weight LLM, across five domains using public datasets: mathematics, code generation, instruction following, logical puzzles and function calling. We introduce an adaptive domain sampling mechanism that preserves target domain ratios despite heterogeneous rollout dynamics, and a difficulty-aware extension of the standard length penalty that, with no additional training overhead, encourages longer reasoning for difficult problems and shorter traces for easy ones. Trained with a strict 16K-token output budget, Apriel-Reasoner generalizes to 32K tokens at inference and improves over Apriel-Base on AIME 2025, GPQA, MMLU-Pro, and LiveCodeBench while producing 30-50% shorter reasoning traces. It matches strong open-weight models of similar size at lower token cost, thereby pushing the Pareto frontier of accuracy versus token budget.
Authors: Dongrui Wu
Abstract: Pool-based sequential active learning for regression (ALR) optimally selects a small number of samples sequentially from a large pool of unlabeled samples to label, so that a more accurate regression model can be constructed under a given labeling budget. Representativeness and diversity, which involve computing the distances among different samples, are important considerations in ALR. However, previous ALR approaches do not incorporate the importance of different features in inter-sample distance computation, resulting in sub-optimal sample selection. This paper proposes three feature weighted single-task ALR approaches and two feature weighted multi-task ALR approaches, where the ridge regression coefficients trained from a small amount of previously labeled samples are used to weight the corresponding features in inter-sample distance computation. Experiments showed that this easy-to-implement enhancement almost always improves the performance of four existing ALR approaches, in both single-task and multi-task regression problems. The feature weighting strategy may also be easily extended to stream-based ALR, and classification algorithms.
Authors: Jaber Jaber, Osama Jaber
Abstract: Recursive transformers reuse a shared weight block across multiple depth steps, trading parameters for compute. A core limitation: every step applies the same transformation, preventing the model from composing distinct operations across depth. We present Ouroboros, a system that attaches a compact Controller hypernetwork to a recursive transformer block. The Controller observes the current hidden state, produces a per-step diagonal modulation vector, and applies it to frozen SVD-initialized LoRA bases, making each recurrence step input-dependent. We combine this with gated recurrence (bias-initialized to 88% retention) and per-step LayerNorm for stable deep iteration. On Qwen2.5-3B split into a Prelude/Recurrent/Coda architecture (17 of 36 layers retained), Ouroboros reduces training loss by 43.4% over the unmodified 17-layer baseline, recovering 51.3% of the performance gap caused by layer removal. The full system adds only 9.2M trainable parameters (Controller, gate, and per-step norms) yet outperforms equivalently-sized static per-step LoRA by 1.44 loss points at depth 1 and remains ahead across all tested depths (1, 4, 8, 16) and ranks (8, 32, 64). We also find that gated recurrence is essential: without it, recursive layer application makes the model strictly worse. These gains are measured on the training distribution; on held-out text, the Controller does not yet improve over the baseline, a limitation we attribute to frozen downstream layers and discuss in detail. Code: https://github.com/RightNow-AI/ouroboros
Authors: Atul Kumar Sinha, Fran\c{c}ois Fleuret
Abstract: We introduce a fast low-rank factorization-based framework for compressing large language models that enables rapid compression of billion-parameter models without retraining. Unlike existing factorization-based approaches that optimize only on the original inputs, ignoring distribution shifts from upstream compression and thus propagating errors forward, or those that rely only on shifted inputs and risk drifting away from the original outputs, our approach accounts for both. Beyond individual layer compression, we further refine each transformer block end-to-end, minimizing block-level output distortion and allowing compressed layers to jointly compensate for accumulated errors. By anchoring each compressed layer to the original outputs while explicitly modeling input distribution shifts, our method finds a low-rank approximation that maintains functional equivalence with the original model. Experiments on large language models show that our method consistently outperforms existing SVD-based baselines across compression ratios, with the advantage becoming increasingly pronounced at aggressive compression budgets, where competing methods degrade substantially or collapse entirely, offering a practical solution for efficient, large-scale model deployment.
Authors: M. Lo Verso, C. Introini, E. Cervi, L. Savoldi, J. N. Kutz, A. Cammi
Abstract: Magnetohydrodynamic (MHD) phenomena play a pivotal role in the design and operation of nuclear fusion systems, where electrically conducting fluids (such as liquid metals or molten salts employed in reactor blankets) interact with magnetic fields of varying intensity and orientation, influencing the resulting flow dynamics. The numerical solution of MHD models entails the resolution of highly nonlinear, multiphysics systems of equations, which can become computationally demanding, particularly in multi-query, parametric, or real-time contexts. This study investigates a fully data-driven framework for MHD state reconstruction that integrates dimensionality reduction through Singular Value Decomposition (SVD) with the SHallow REcurrent Decoder (SHRED), a neural network architecture designed to reconstruct the full spatio-temporal state from sparse time-series measurements of selected observables, including previously unseen parametric configurations. The SHRED methodology is applied to a three-dimensional geometry representative of a portion of a WCLL blanket cell, in which lead-lithium flows around a water-cooled tube. Multiple magnetic field configurations are examined, including constant toroidal fields, combined toroidal-poloidal fields, and time-dependent magnetic fields. Across all considered scenarios, SHRED achieves high reconstruction accuracy, robustness, and generalization to magnetic field intensities, orientations, and temporal evolutions not seen during training. Notably, in the presence of time-varying magnetic fields, the model accurately infers the temporal evolution of the magnetic field itself using temperature measurements alone. Overall, the findings identify SHRED as a computationally efficient, data-driven, and flexible approach for MHD state reconstruction, with significant potential for real-time monitoring, diagnostics and control in fusion reactor systems.
Authors: Guruprerana Shabadi, Kaushik Mallik
Abstract: We consider multi-objective reinforcement learning problems where objectives come from an identical family -- such as the class of reachability objectives -- and may appear or disappear at runtime. Our goal is to design adaptive policies that can efficiently adjust their behaviors as the set of active objectives changes. To solve this problem, we propose a modular framework where each objective is supported by a selfish local policy, and coordination is achieved through a novel auction-based mechanism: policies bid for the right to execute their actions, with bids reflecting the urgency of the current state. The highest bidder selects the action, enabling a dynamic and interpretable trade-off among objectives. Going back to the original adaptation problem, when objectives change, the system adapts by simply adding or removing the corresponding policies. Moreover, as objectives arise from the same family, identical copies of a parameterized policy can be deployed, facilitating immediate adaptation at runtime. We show how the selfish local policies can be computed by turning the problem into a general-sum game, where the policies compete against each other to fulfill their own objectives. To succeed, each policy must not only optimize its own objective, but also reason about the presence of other goals and learn to produce calibrated bids that reflect relative priority. In our implementation, the policies are trained concurrently using proximal policy optimization (PPO). We evaluate on Atari Assault and a gridworld-based path-planning task with dynamic targets. Our method achieves substantially better performance than monolithic policies trained with PPO.
Authors: Roel Hacking, Lisa Kusch, Koondanibha Mitra, Martijn Anthonissen, Wilbert IJzerman
Abstract: We address the inverse problem of designing two-dimensional reflectors that transform light from a finite, extended source into a prescribed far-field distribution. We propose a neural network parameterization of the reflector height and develop two differentiable objective functions: (i) a direct change-of-variables loss that pushes the source distribution through the learned inverse mapping, and (ii) a mesh-based loss that maps a target-space grid back to the source, integrates over intersections, and remains continuous even when the source is discontinuous. Gradients are obtained via automatic differentiation and optimized with a robust quasi-Newton method. As a comparison, we formulate a deconvolution baseline built on a simplified finite-source approximation: a 1D monotone mapping is recovered from flux balance, yielding an ordinary differential equation solved in integrating-factor form; this solver is embedded in a modified Van Cittert iteration with nonnegativity clipping and a ray-traced forward operator. Across four benchmarks -- continuous and discontinuous sources, and with/without minimum-height constraints -- we evaluate accuracy by ray-traced normalized mean absolute error (NMAE). Our neural network approach converges faster and achieves consistently lower NMAE than the deconvolution method, and handles height constraints naturally. We discuss how the method may be extended to rotationally symmetric and full three-dimensional settings via iterative correction schemes.
Authors: Maude Lizaire, Michael Rizvi-Martel, \'Eric Dupuis, Guillaume Rabusseau
Abstract: The benefits of depth in feedforward neural networks are well known: composing multiple layers of linear transformations with nonlinear activations enables complex computations. While similar effects are expected in recurrent neural networks (RNNs), it remains unclear how depth interacts with recurrence to shape expressive power. Here, we formally show that depth increases RNNs' memory capacity efficiently with respect to the number of parameters, thus enhancing expressivity both by enabling more complex input transformations and improving the retention of past information. We broaden our analysis to 2RNNs, a generalization of RNNs with multiplicative interactions between inputs and hidden states. Unlike RNNs, which remain linear without nonlinear activations, 2RNNs perform polynomial transformations whose maximal degree grows with depth. We further show that multiplicative interactions cannot, in general, be replaced by layerwise nonlinearities. Finally, we validate these insights empirically on synthetic and real-world tasks.
Authors: Mayank Mayank, Bharanidhar Duraisamy, Florian Geiss
Abstract: Accurate shape and trajectory estimation of dynamic objects is essential for reliable automated driving. Classical Bayesian extended-object models offer theoretical robustness and efficiency but depend on completeness of a-priori and update-likelihood functions, while deep learning methods bring adaptability at the cost of dense annotations and high compute. We bridge these strengths with LEO (Learned Extension of Objects), a spatio-temporal Graph Attention Network that fuses multi-modal production-grade sensor tracks to learn adaptive fusion weights, ensure temporal consistency, and represent multi-scale shapes. Using a task-specific parallelogram ground-truth formulation, LEO models complex geometries (e.g. articulated trucks and trailers) and generalizes across sensor types, configurations, object classes, and regions, remaining robust for challenging and long-range targets. Evaluations on the Mercedes-Benz DRIVE PILOT SAE L3 dataset demonstrate real-time computational efficiency suitable for production systems; additional validation on public datasets such as View of Delft (VoD) further confirms cross-dataset generalization.
Authors: Xuanfeng Zhou
Abstract: Conventional hypernetworks are typically engineered around a specific base-model parameterization, so changing the target architecture often entails redesigning the hypernetwork and retraining it from scratch. We introduce the \emph{Universal Hypernetwork} (UHN), a fixed-architecture generator that predicts weights from deterministic parameter, architecture, and task descriptors. This descriptor-based formulation decouples the generator architecture from target-network parameterization, so one generator can instantiate heterogeneous models across the tested architecture and task families. Our empirical claims are threefold: (1) one fixed UHN remains competitive with direct training across vision, graph, text, and formula-regression benchmarks; (2) the same UHN supports both multi-model generalization within a family and multi-task learning across heterogeneous models; and (3) UHN enables stable recursive generation with up to three intermediate generated UHNs before the final base model. Our code is available at https://github.com/Xuanfeng-Zhou/UHN.
Authors: Hao Zhu, Di Zhou, Donna Slonim
Abstract: Understanding causal dependencies in observational data is critical for informing decision-making. These relationships are often modeled as Bayesian Networks (BNs) and Directed Acyclic Graphs (DAGs). Existing methods, such as NOTEARS and DAG-GNN, often face issues with scalability and stability in high-dimensional data, especially when there is a feature-sample imbalance. Here, we show that the denoising score matching objective of diffusion models could smooth the gradients for faster, more stable convergence. We also propose an adaptive k-hop acyclicity constraint that improves runtime over existing solutions that require matrix inversion. We name this framework Denoising Diffusion Causal Discovery (DDCD). Unlike generative diffusion models, DDCD utilizes the reverse denoising process to infer a parameterized causal structure rather than to generate data. We demonstrate the competitive performance of DDCDs on synthetic benchmarking data. We also show that our methods are practically useful by conducting qualitative analyses on two real-world examples. Code is available at this url: https://github.com/haozhu233/ddcd.
Authors: Klemens Iten, Bruce Lee, Chenhao Li, Lenart Treven, Andreas Krause, Bhavya Sukhija
Abstract: Learning-based control methods typically assume stationary system dynamics, an assumption often violated in real-world systems due to drift, wear, or changing operating conditions. We study reinforcement learning for control under time-varying dynamics. We consider a continual model-based reinforcement learning setting in which an agent repeatedly learns and controls a dynamical system whose transition dynamics evolve across episodes. We analyze the problem using Gaussian process dynamics models under frequentist variation-budget assumptions. Our analysis shows that persistent non-stationarity requires explicitly limiting the influence of outdated data to maintain calibrated uncertainty and meaningful dynamic regret guarantees. Motivated by these insights, we propose a practical optimistic model-based reinforcement learning algorithm with adaptive data buffer mechanisms and demonstrate improved performance on continuous control benchmarks with non-stationary dynamics.
Authors: Zhengxi Lu, Zhiyuan Yao, Jinyang Wu, Chengcheng Han, Qi Gu, Xunliang Cai, Weiming Lu, Jun Xiao, Yueting Zhuang, Yongliang Shen
Abstract: Agent skills, structured packages of procedural knowledge and executable resources that agents dynamically load at inference time, have become a reliable mechanism for augmenting LLM agents. Yet inference-time skill augmentation is fundamentally limited: retrieval noise introduces irrelevant guidance, injected skill content imposes substantial token overhead, and the model never truly acquires the knowledge it merely follows. We ask whether skills can instead be internalized into model parameters, enabling zero-shot autonomous behavior without any runtime skill retrieval. We introduce SKILL0, an in-context reinforcement learning framework designed for skill internalization. SKILL0 introduces a training-time curriculum that begins with full skill context and progressively withdraws it. Skills are grouped offline by category and rendered with interaction history into a compact visual context, teaching he model tool invocation and multi-turn task completion. A Dynamic Curriculum then evaluates each skill file's on-policy helpfulness, retaining only those from which the current policy still benefits within a linearly decaying budget, until the agent operates in a fully zero-shot setting. Extensive agentic experiments demonstrate that SKILL0 achieves substantial improvements over the standard RL baseline (+9.7\% for ALFWorld and +6.6\% for Search-QA), while maintaining a highly efficient context of fewer than 0.5k tokens per step. Our code is available at https://github.com/ZJU-REAL/SkillZero.
Authors: Tin Had\v{z}i Veljkovi\'c, Joshua Rosenthal, Ivor Lon\v{c}ari\'c, Jan-Willem van de Meent
Abstract: Generative models for crystalline materials often rely on equivariant graph neural networks, which capture geometric structure well but are costly to train and slow to sample. We present Crystalite, a lightweight diffusion Transformer for crystal modeling built around two simple inductive biases. The first is Subatomic Tokenization, a compact chemically structured atom representation that replaces high-dimensional one-hot encodings and is better suited to continuous diffusion. The second is the Geometry Enhancement Module (GEM), which injects periodic minimum-image pair geometry directly into attention through additive geometric biases. Together, these components preserve the simplicity and efficiency of a standard Transformer while making it better matched to the structure of crystalline materials. Crystalite achieves state-of-the-art results on crystal structure prediction benchmarks, and de novo generation performance, attaining the best S.U.N. discovery score among the evaluated baselines while sampling substantially faster than geometry-heavy alternatives.
Authors: Gengsheng Li, Tianyu Yang, Junfeng Fang, Mingyang Song, Mao Zheng, Haiyun Guo, Dan Zhang, Jinqiao Wang, Tat-Seng Chua
Abstract: Reinforcement learning with verifiable rewards (RLVR) has become a standard paradigm for post-training large language models. While Group Relative Policy Optimization (GRPO) is widely adopted, its coarse credit assignment uniformly penalizes failed rollouts, lacking the token-level focus needed to efficiently address specific deviations. Self-Distillation Policy Optimization (SDPO) addresses this by providing denser, more targeted logit-level supervision that facilitates rapid early improvement, yet it frequently collapses during prolonged training. We trace this late-stage instability to two intrinsic flaws: self-distillation on already-correct samples introduces optimization ambiguity, and the self-teacher's signal reliability progressively degrades. To resolve these issues, we propose Sample-Routed Policy Optimization (SRPO), a unified on-policy framework that routes correct samples to GRPO's reward-aligned reinforcement and failed samples to SDPO's targeted logit-level correction. SRPO further incorporates an entropy-aware dynamic weighting mechanism to suppress high-entropy, unreliable distillation targets while emphasizing confident ones. Evaluated across five benchmarks and two model scales, SRPO achieves both the rapid early improvement of SDPO and the long-horizon stability of GRPO. It consistently surpasses the peak performance of both baselines, raising the five-benchmark average on Qwen3-8B by 3.4% over GRPO and 6.3% over SDPO, while simultaneously yielding moderate response lengths and lowering per-step compute cost by up to 17.2%.
Authors: Dimitrios Danopoulos, Enrico Lupi, Michael Kagan, Maurizio Pierini
Abstract: Softmax can become a computational bottleneck in the Transformer model's Multi-Head Attention (MHA) block, particularly in small models under low-precision inference, where exponentiation and normalization incur significant overhead. As such, we suggest using Head-Calibrated Clipped-Linear Softmax (HCCS), a bounded, monotone surrogate to the exponential softmax function, which uses a clipped linear mapping of the max centered attention logits. This approximation produces a stable probability distribution, maintains the ordering of the original logits and has non-negative values. HCCS differs from previous softmax surrogates as it includes a set of lightweight calibration parameters that are optimized offline based on a representative dataset and calibrated for each individual attention head to preserve the statistical properties of the individual heads. We describe a hardware-motivated implementation of HCCS for high-throughput scenarios targeting the AMD Versal AI Engines. The current reference implementations from AMD for this platform rely upon either bfloat16 arithmetic or LUTs to perform the exponential operation, which might limit the throughput of the platform and fail to utilize the high-throughput integer vector processing units of the AI Engine. In contrast, HCCS provides a natural mapping to the AI Engines' int8 multiply accumulate (MAC) units. To the best of our knowledge, this is the first int8 optimized softmax surrogate for AMD AI engines that significantly exceeds the speed performance of other reference implementations while maintaining competitive task accuracy on small or heavily quantized MHA workloads after quantization-aware retraining.
Authors: Torque Dandachi, Sophia Diggs-Galligan
Abstract: Doubly stochastic matrices enable learned mixing across residual streams, but parameterizing the set of doubly stochastic matrices (the Birkhoff polytope) exactly and efficiently remains an open challenge. Existing exact methods scale factorially with the number of streams ($d$), while Kronecker-factorized approaches are efficient but expressivity-limited. We introduce a novel exact parameterization grounded in the theory of generalized orthostochastic matrices, which scales as $\mathcal{O}(d^3)$ and exposes a single hyperparameter $s$ which continuously interpolates between a computationally efficient boundary and the fully expressive Birkhoff polytope. Building on Manifold-Constrained Hyper-Connections ($m$HC), a framework for learned dynamic layer connectivity, we instantiate this parameterization in go-$m$HC. Our method composes naturally with Kronecker-factorized methods, substantially recovering expressivity at similar FLOP costs. Spectral analysis indicates that go-$m$HC fills the Birkhoff polytope far more completely than Kronecker-factorized baselines. On synthetic stream-mixing tasks, go-$m$HC achieves the minimum theoretical loss while converging up to $10\times$ faster. We validate our approach in a 30M parameter GPT-style language model. The expressivity, efficiency, and exactness of go-$m$HC offer a practical avenue for scaling $d$ as a new dimension of model capacity.
Authors: Bangji Yang, Hongbo Ma, Jiajun Fan, Ge Liu
Abstract: Large Language Models employing Chain-of-Thought reasoning achieve strong performance but suffer from excessive token consumption that inflates inference costs. Existing efficiency methods such as explicit length penalties, difficulty estimators, or multi-stage curricula either degrade reasoning quality or require complex training pipelines. We introduce Batched Contextual Reinforcement, a minimalist, single-stage training paradigm that unlocks efficient reasoning through a simple structural modification: training the model to solve N problems simultaneously within a shared context window, rewarded purely by per-instance accuracy. This formulation creates an implicit token budget that yields several key findings: (1) We identify a novel task-scaling law: as the number of concurrent problems N increases during inference, per-problem token usage decreases monotonically while accuracy degrades far more gracefully than baselines, establishing N as a controllable throughput dimension. (2) BCR challenges the traditional accuracy-efficiency trade-off by demonstrating a "free lunch" phenomenon at standard single-problem inference. Across both 1.5B and 4B model families, BCR reduces token usage by 15.8% to 62.6% while consistently maintaining or improving accuracy across five major mathematical benchmarks. (3) Qualitative analyses reveal emergent self-regulated efficiency, where models autonomously eliminate redundant metacognitive loops without explicit length supervision. (4) Crucially, we empirically demonstrate that implicit budget constraints successfully circumvent the adversarial gradients and catastrophic optimization collapse inherent to explicit length penalties, offering a highly stable, constraint-based alternative for length control. These results prove BCR practical, showing simple structural incentives unlock latent high-density reasoning in LLMs.
Authors: Yuan Qiu, Wei Li, Wei Zhang, Yi Zhou, Fang Liu, Jianbiao Wang, Zhi Wei Seh
Abstract: State of health (SoH) is widely used for battery management, but it is a single scalar and offers limited interpretability. Two batteries with similar SoH can exhibit very different degradation behaviors and the lack of interpretability hinders optimal battery operation. In this paper, we propose IBAM for interpretable battery aging modelling with a neural-assisted physics-based framework. IBAM outputs a 2-D aging fingerprint without extra diagnostic tests and uses only routine logs from the battery management system. The fingerprint offers great interpretability by capturing a battery's curve-wide polarization voltage loss and the tail loss near the end-of-discharge. IBAM first creates a physics-based battery model based on a fractional-order equivalent circuit model, and then extracts per-cycle fingerprints from the model using a two-stage least-squares method. IBAM further anchors fingerprints on the SoH axis with physics-guided regression, where the per-cycle SoH is estimated via a bidirectional gated recurrent unit with customized multi-channel voltage features. Across batteries with short-, medium-, and long-lifespans, IBAM consistently yields the best physics model fidelity at different aging stages, and provides clear interpretations of degradation mechanisms and fingerprint patterns about batteries of different lifespans. The resulting fingerprints support interpretable battery health assessment and can inform battery control choices.
Authors: Arno Strouwen, Sebasti\'an Miclu\c{t}a-C\^ampeanu
Abstract: For most process systems, knowledge of the model structure is incomplete. This missing physics must then be learned from experimental data. Recently, a combination of universal differential equations and symbolic regression has become a popular tool to discover these missing physics. Universal differential equations employ neural networks to represent missing parts of the model structure, and symbolic regression aims to make these neural networks interpretable. These machine learning techniques require high-quality data to successfully recover the true model structure. To gather such informative data, a sequential experimental design technique is developed which is based on optimally discriminating between the plausible model structures suggested by symbolic regression. This technique is then applied to discovering the missing physics of a bioreactor.
Authors: Wenjie Qiu, Zixin Wang, Hongyu Fang, Zeyuan Ma, Yue-Jiao Gong
Abstract: Cooperative Coevolution (CC) effectively addresses Large-Scale Global Optimization (LSGO) via decomposition but struggles with the emerging class of Heterogeneous LSGO (H-LSGO) problems arising from real-world applications, where subproblems exhibit diverse dimensions and distinct landscapes. The prevailing CC paradigm, relying on a fixed low-dimensional optimizer, often fails to navigate this heterogeneity. To address this limitation, we propose the Learning-Based Heterogeneous Cooperative Coevolution Framework (LH-CC). By formulating the optimization process as a Markov Decision Process, LH-CC employs a meta-agent to adaptively select the most suitable optimizer for each subproblem. We also introduce a flexible benchmark suite to generate diverse H-LSGO problem instances. Extensive experiments on 3000-dimensional problems with complex coupling relationships demonstrate that LH-CC achieves superior solution quality and computational efficiency compared to state-of-the-art baselines. Furthermore, the framework exhibits robust generalization across varying problem instances, optimization horizons, and optimizers. Our findings reveal that dynamic optimizer selection is a pivotal strategy for solving complex H-LSGO problems.
Authors: Okan U\c{c}ar, Murat Kurt
Abstract: Medical imaging techniques, especially Magnetic Resonance Imaging (MRI), are accepted as the gold standard in the diagnosis and treatment planning of neurological diseases. However, the manual analysis of MRI images is a time-consuming process for radiologists and is prone to human error due to fatigue. In this study, two different Deep Learning approaches were developed and analyzed comparatively for the automatic detection and classification of brain tumors (Glioma, Meningioma, Pituitary, and No Tumor). In the first approach, a custom Convolutional Neural Network (CNN) architecture named "OkanNet", which has a low computational cost and fast training time, was designed from scratch. In the second approach, the Transfer Learning method was applied using the 50-layer ResNet-50 [1] architecture, pre-trained on the ImageNet dataset. In experiments conducted on an extended dataset compiled by Masoud Nickparvar containing a total of $7,023$ MRI images, the Transfer Learning-based ResNet-50 model exhibited superior classification performance, achieving $96.49\%$ Accuracy and $0.963$ Precision. In contrast, the custom OkanNet architecture reached an accuracy rate of $88.10\%$; however, it proved to be a strong alternative for mobile and embedded systems with limited computational power by yielding results approximately $3.2$ times faster ($311$ seconds) than ResNet-50 in terms of training time. This study demonstrates the trade-off between model depth and computational efficiency in medical image analysis through experimental data.
Authors: Nathan Benjamin, A. Liam Fitzpatrick, Wei Li, Jesse Thaler
Abstract: In this paper, we attempt to explore the landscape of two-dimensional conformal field theories (2d CFTs) by efficiently searching for numerical solutions to the modular bootstrap equation using machine-learning-style optimization. The torus partition function of a 2d CFT is fixed by the spectrum of its primary operators and its chiral algebra, which we take to be the Virasoro algebra with $c>1$. We translate the requirement that this partition function is modular invariant into a loss function, which we then minimize to identify possible primary spectra. Our approach involves two technical innovations that facilitate finding reliable candidate CFTs. The first is a strategy to estimate the uncertainty associated with truncating the spectrum to the lowest dimension operators. The second is the use of a new singular-value-based optimizer (Sven) that is more effective than gradient descent at navigating the hierarchical structure of the loss landscape. We numerically construct candidate truncated CFT partition functions with central charges between 1 and $\frac{8}{7}$, a range devoid of known examples, and argue that these candidates likely come from a continuous space of modular bootstrap solutions. We also provide evidence for a more stringent constraint on the spectral gap near $c = 1$ than the existing bound of $\Delta_{\rm gap} \le \frac{c}{6} + \frac{1}{3}$.
Authors: Hanbing Liang, Fujun Liu
Abstract: Macroscopic unmanned aerial vehicle (UAV) traffic organization in three-dimensional airspace faces significant challenges from static wind fields and complex obstacles. A critical difficulty lies in simultaneously capturing the strong anisotropy induced by wind while strictly preserving transport consistency and boundary semantics, which are often compromised in standard physics-informed learning approaches. To resolve this, we propose a constraint-preserving hybrid solver that integrates a physics-informed neural network for the anisotropic Eikonal value problem with a conservative finite-volume method for steady density transport. These components are coupled through an outer Picard iteration with under-relaxation, where the target condition is hard-encoded and strictly conservative no-flux boundaries are enforced during the transport step. We evaluate the framework on reproducible homing and point-to-point scenarios, effectively capturing value slices, induced-motion patterns, and steady density structures such as bands and bottlenecks. Ultimately, our perspective emphasizes the value of a reproducible computational framework supported by transparent empirical diagnostics to enable the traceable assessment of macroscopic traffic phenomena.
Authors: Vojt\v{e}ch Stan\v{e}k, Martin Pere\v{s}\'ini, Luk\'a\v{s} Sekanina, Anton Firc, Kamil Malinka
Abstract: While deepfake speech detectors built on large self-supervised learning (SSL) models achieve high accuracy, employing standard ensemble fusion to further enhance robustness often results in oversized systems with diminishing returns. To address this, we propose an evolutionary multi-objective score fusion framework that jointly minimizes detection error and system complexity. We explore two encodings optimized by NSGA-II: binary-coded detector selection for score averaging and a real-valued scheme that optimizes detector weights for a weighted sum. Experiments on the ASVspoof 5 dataset with 36 SSL-based detectors show that the obtained Pareto fronts outperform simple averaging and logistic regression baselines. The real-valued variant achieves 2.37% EER (0.0684 minDCF) and identifies configurations that match state-of-the-art performance while significantly reducing system complexity, requiring only half the parameters. Our method also provides a diverse set of trade-off solutions, enabling deployment choices that balance accuracy and computational cost.
Authors: Hanbing Liang, Ze Tao, Fujun Liu
Abstract: We investigate the data-driven discovery of constitutive closures in nonlinear reaction-diffusion systems with known governing PDE structures. Our objective is to robustly recover diffusion and reaction laws from spatiotemporal observations while avoiding the common pitfall where low residuals or short-horizon predictions are conflated with physical recovery. We propose a three-stage neural-symbolic framework: (1) learning numerical surrogates under physical constraints using a noise-robust weak-form-driven objective; (2) compressing these surrogates into restricted interpretable symbolic families (e.g., polynomial, rational, and saturation forms); and (3) validating the symbolic closures through explicit forward re-simulation on unseen initial conditions. Extensive numerical experiments reveal two distinct regimes. Under matched-library settings, weak polynomial baselines behave as correctly specified reference estimators, showing that neural surrogates do not uniformly outperform classical bases. Conversely, under function-class mismatch, neural surrogates provide necessary flexibility and can be compressed into compact symbolic laws with minimal rollout degradation. However, we identify a critical "bias inheritance" mechanism where symbolic compression does not automatically repair constitutive bias. Across various observation regimes, the true error of the symbolic closure closely tracks that of the neural surrogate, yielding a bias inheritance ratio near one. These findings demonstrate that the primary bottleneck in neural-symbolic modeling lies in the initial numerical inverse problem rather than the subsequent symbolic compression. We underscore that constitutive claims must be rigorously supported by forward validation rather than residual minimization alone.
Authors: Neo Christopher Chung, Maxim Laletin
Abstract: Vision transformers (ViT) rely on attention mechanism to weigh input features, and therefore attention scores have naturally been considered as explanations for its decision-making process. However, attention scores are almost always non-zero, resulting in noisy and diffused attention maps and limiting interpretability. Can we quantify uncertainty measures of attention scores and obtain regularized attention scores? To this end, we consider attention scores of ViT in a statistical framework where independent noise would lead to insignificant yet non-zero scores. Leveraging statistical learning techniques, we introduce the bootstrapping for attention scores which generates a baseline distribution of attention scores by resampling input features. Such a bootstrap distribution is then used to estimate significances and posterior probabilities of attention scores. In natural and medical images, the proposed \emph{Attention Regularization} approach demonstrates a straightforward removal of spurious attention arising from noise, drastically improving shrinkage and sparsity. Quantitative evaluations are conducted using both simulation and real-world datasets. Our study highlights bootstrapping as a practical regularization tool when using attention scores as explanations for ViT. Code available: https://github.com/ncchung/AttentionRegularization
Authors: Manoj Parmar
Abstract: World models -- learned internal simulators of environment dynamics -- are rapidly becoming foundational to autonomous decision-making in robotics, autonomous vehicles, and agentic AI. Yet this predictive power introduces a distinctive set of safety, security, and cognitive risks. Adversaries can corrupt training data, poison latent representations, and exploit compounding rollout errors to cause catastrophic failures in safety-critical deployments. World model-equipped agents are more capable of goal misgeneralisation, deceptive alignment, and reward hacking precisely because they can simulate the consequences of their own actions. Authoritative world model predictions further foster automation bias and miscalibrated human trust that operators lack the tools to audit. This paper surveys the world model landscape; introduces formal definitions of trajectory persistence and representational risk; presents a five-profile attacker capability taxonomy; and develops a unified threat model extending MITRE ATLAS and the OWASP LLM Top 10 to the world model stack. We provide an empirical proof-of-concept on trajectory-persistent adversarial attacks (GRU-RSSM: A_1 = 2.26x amplification, -59.5% reduction under adversarial fine-tuning; stochastic RSSM proxy: A_1 = 0.65x; DreamerV3 checkpoint: non-zero action drift confirmed). We illustrate risks through four deployment scenarios and propose interdisciplinary mitigations spanning adversarial hardening, alignment engineering, NIST AI RMF and EU AI Act governance, and human-factors design. We argue that world models must be treated as safety-critical infrastructure requiring the same rigour as flight-control software or medical devices.
Authors: Luana P. Queiroz, Icaro S. C. Bernardes, Ana M. Ribeiro, Bernardo M. Aguilera-Mercado, Idelfonso B. R. Nogueira
Abstract: Predicting the perceived intensity of odorants remains a fundamental challenge in sensory science due to the complex, non-linear behavior of their response, as well as the difficulty in correlating molecular structure with human perception. While traditional deep learning models, such as Graph Convolutional Networks (GCNs), excel at capturing molecular topology, they often fail to account for the biological and perceptual context of olfaction. This study introduces VIANA, a novel "tri-pillar" framework that integrates structural graph theory, character value embeddings, and phenomenological behavior. This methodology systematically evaluates knowledge transfer across three distinct domains: molecular structure via GCNs, semantic odor character values via Principal Odor Map (POM) embeddings, and biological dose-response logic via Hill's law. We demonstrate that knowledge transfer is not inherently positive; rather, a balance must be maintained in the volume of information provided to the model. While raw semantic data led to "information overload" in domain-informed models, applying Principal Component Analysis (PCA) to distill the 95% most impactful semantic variance yielded a superior "signal distillation" effect. Results indicate that the synthesis of these three knowledge transfer pillars significantly outperforms baseline structural models, with VIANA achieving a peak R^2 of 0.996 and a test Mean Squared Error (MSE) of 0.19. In this context, VIANA successfully captures the physical ceiling of saturation, the sensitivity of detection thresholds, and the nuance of odor character value expression, providing a domain grounded simulation of the human olfactory experience. This research provides a robust framework for digital olfaction, effectively bridging the gap between molecular informatics and sensory perception.
Authors: Daran Xu, Amirhossein Taghvaei
Abstract: We study the problem of identifying an optimal coupling between input-output distributional data generated by a causal dynamical system. The coupling is required to satisfy prescribed marginal distributions and a causality constraint reflecting the temporal structure of the system. We formulate this problem as a Schr"odinger Bridge, which seeks the coupling closest - in Kullback-Leibler divergence - to a given prior while enforcing both marginal and causality constraints. For the case of Gaussian marginals and general time-dependent quadratic cost functions, we derive a fully tractable characterization of the Sinkhorn iterations that converges to the optimal solution. Beyond its theoretical contribution, the proposed framework provides a principled foundation for applying causal optimal transport methods to system identification from distributional data.
Authors: Andrea Maldonado, Christian Imenkamp, Hendrik Reiter, Thomas Seidl, Wilhelm Hasselbring, Martin Werner, Agnes Koschmider
Abstract: The shift toward IoT-enabled, sensor-driven systems has transformed how operational data is generated, favoring continuous, real-time event streams (ES) over static event logs. This evolution presents new challenges for Streaming Process Mining (SPM), which must cope with out-of-order events, concurrent activities, incomplete cases, and concept drifts. Yet, the evaluation of SPM algorithms remains rooted in outdated practices, relying on static logs or artificially streamified data that fail to reflect the complexities of real-world streams. To address this gap, we first perform a comprehensive review of data stream literature to identify stream characteristics currently not reflected in the SPM community. Next, we use this information to extend the conceptual foundation for ES. Finally, we propose Stream of Intent, a prototype generator to produce ES with specific features. Our evaluation shows excellence in producing reproducible, intentional ES for targeted benchmarking and adaptive algorithm development in SPM.
Authors: Georgiy A. Bondar, Abigail Eisenklam, Yifan Cai, Robert Gifford, Tushar Sial, Linh Thi Xuan Phan, Abhishek Halder
Abstract: Modern real-time systems require accurate characterization of task timing behavior to ensure predictable performance, particularly on complex hardware architectures. Existing methods, such as worst-case execution time analysis, often fail to capture the fine-grained timing behaviors of a task under varying resource contexts (e.g., an allocation of cache, memory bandwidth, and CPU frequency), which is necessary to achieve efficient resource utilization. In this paper, we introduce a novel generative profiling approach that synthesizes context-dependent, fine-grained timing profiles for real-time tasks, including those for unmeasured resource allocations. Our approach leverages a nonparametric, conditional multi-marginal Schr\"odinger Bridge (MSB) formulation to generate accurate execution profiles for unseen resource contexts, with maximum likelihood guarantees. We demonstrate the efficiency and effectiveness of our approach through real-world benchmarks, and showcase its practical utility in a representative case study of adaptive multicore resource allocation for real-time systems.
Authors: Khalid Adnan Alsayed
Abstract: Artificial intelligence (AI) systems are increasingly integrated into healthcare and pharmacy workflows, supporting tasks such as medication recommendations, dosage determination, and drug interaction detection. While these systems often demonstrate strong performance under standard evaluation metrics, their reliability in real-world decision-making remains insufficiently understood. In high-risk domains such as medication management, even a single incorrect recommendation can result in severe patient harm. This paper examines the reliability of AI-assisted medication systems by focusing on system failures and their potential clinical consequences. Rather than evaluating performance solely through aggregate metrics, this work shifts attention towards how errors occur and what happens when AI systems produce incorrect outputs. Through a series of controlled, simulated scenarios involving drug interactions and dosage decisions, we analyse different types of system failures, including missed interactions, incorrect risk flagging, and inappropriate dosage recommendations. The findings highlight that AI errors in medication-related contexts can lead to adverse drug reactions, ineffective treatment, or delayed care, particularly when systems are used without sufficient human oversight. Furthermore, the paper discusses the risks of over-reliance on AI recommendations and the challenges posed by limited transparency in decision-making processes. This work contributes a reliability-focused perspective on AI evaluation in healthcare, emphasising the importance of understanding failure behavior and real-world impact. It highlights the need to complement traditional performance metrics with risk-aware evaluation approaches, particularly in safety-critical domains such as pharmacy practice.
Authors: Yakun Wang, Min Chen, Zeguan Wu, Junyu Liu, Sitao Zhang, Zhenwen Shao
Abstract: Large language models (LLMs) are increasingly explored for NP-hard combinatorial optimization problems, but most existing methods emphasize feasible-instance solution generation and do not explicitly address infeasibility detection. We propose an infeasibility-aware framework that combines certifiable dataset construction, supervised fine-tuning, and LLM-assisted downstream search. For the minor-embedding problem, we introduce a new mathematical programming formulation together with provable zero-phase infeasibility screening, which enables scalable construction of training instances labeled either as feasible with structured certificates or as certifiably infeasible. Using training data generated through this exact optimization pipeline, we show that an 8B-parameter LLM can be fine-tuned to jointly perform solution generation and infeasibility detection. We further utilize LLM outputs as warm starts for downstream local search, providing a practical way to accelerate optimization even when the LLM outputs are imperfect. Experiments show that our fine-tuned model improves overall accuracy by up to 30\% over GPT-5.2; meanwhile LLM-guided warm starts provide up to $2\times$ speedup compared with starting from scratch in downstream local search.
Authors: Scott Xu, Dian Chen, Kelvin Wong, Chris Zhang, Kion Fallah, Raquel Urtasun
Abstract: Accurately modeling agent behaviors is an important task in self-driving. It is also a task with many symmetries, such as equivariance to the order of agents and objects in the scene or equivariance to arbitrary roto-translations of the entire scene as a whole; i.e., SE(2)-equivariance. The transformer architecture is a ubiquitous tool for modeling these symmetries. While standard self-attention is inherently permutation equivariant, explicit pairwise relative positional encodings have been the standard for introducing SE(2)-equivariance. However, this approach introduces an additional cost that is quadratic in the number of agents, limiting its scalability to larger scenes and batch sizes. In this work, we propose DriveGATr, a novel transformer-based architecture for agent modeling that achieves SE(2)-equivariance without the computational cost of existing methods. Inspired by recent advances in geometric deep learning, DriveGATr encodes scene elements as multivectors in the 2D projective geometric algebra $\mathbb{R}^*_{2,0,1}$ and processes them with a stack of equivariant transformer blocks. Crucially, DriveGATr models geometric relationships using standard attention between multivectors, eliminating the need for costly explicit pairwise relative positional encodings. Experiments on the Waymo Open Motion Dataset demonstrate that DriveGATr is comparable to the state-of-the-art in traffic simulation and establishes a superior Pareto front for performance vs computational cost.
Authors: Zhehang Du, Weijie Su
Abstract: The Muon optimizer has received considerable attention for its strong performance in training large language models, yet the design principle behind its matrix-gradient orthogonalization remains largely elusive. In this paper, we introduce a surrogate model that not only sheds new light on the design of Muon, but more importantly leads to a new optimizer. In the same spirit as the derivation of Newton's method, the surrogate approximates the loss as a quadratic function of the perturbation to a weight matrix $W$ using only three matrices: the gradient $G$, an output-space curvature matrix $H$, and the data matrix $Z$ that stacks the layer inputs. By minimizing this surrogate in one step and adopting a certain isotropic assumption on the weights, we obtain the closed-form update rule (up to momentum and weight decay) $W \leftarrow W - \eta \cdot \mathrm{msgn}(G(ZZ^\top)^{-1})$, where $\eta$ is the learning rate and $\mathrm{msgn}(X)=UV^\top$ if $X=USV^\top$ is a compact singular value decomposition. This new optimization method, which we refer to as Newton-Muon, shows that standard Muon can be interpreted as an implicit Newton-type method that neglects the right preconditioning induced by the input second moment. Empirically, on a reproduction of the earliest publicly released Modded-NanoGPT speedrun configuration using Muon for GPT-2 pretraining, Newton-Muon reaches the target validation loss in 6\% fewer iteration steps and reduces wall-clock training time by about 4\%.
Authors: Yunbei Zhang, Chengyi Cai, Feng Liu, Jihun Hamm
Abstract: Adapting closed-box service models (i.e., APIs) for target tasks typically relies on reprogramming via Zeroth-Order Optimization (ZOO). However, this standard strategy is known for extensive, costly API calls and often suffers from slow, unstable optimization. Furthermore, we observe that this paradigm faces new challenges with modern APIs (e.g., GPT-4o). These models can be less sensitive to the input perturbations ZOO relies on, thereby hindering performance gains. To address these limitations, we propose an Alternative efficient Reprogramming approach for Service models (AReS). Instead of direct, continuous closed-box optimization, AReS initiates a single-pass interaction with the service API to prime an amenable local pre-trained encoder. This priming stage trains only a lightweight layer on top of the local encoder, making it highly receptive to the subsequent glass-box (white-box) reprogramming stage performed directly on the local model. Consequently, all subsequent adaptation and inference rely solely on this local proxy, eliminating all further API costs. Experiments demonstrate AReS's effectiveness where prior ZOO-based methods struggle: on GPT-4o, AReS achieves a +27.8% gain over the zero-shot baseline, a task where ZOO-based methods provide little to no improvement. Broadly, across ten diverse datasets, AReS outperforms state-of-the-art methods (+2.5% for VLMs, +15.6% for standard VMs) while reducing API calls by over 99.99%. AReS thus provides a robust and practical solution for adapting modern closed-box models.
Authors: Matthew Loftus
Abstract: The topological gap $\Delta = TP_{H_1}^{real} - TP_{H_1}^{shuf}$ -- the excess $H_1$ total persistence of the majority-spin alpha complex over a density-matched null -- encodes critical correlations in spin models. We establish finite-size scaling: $\Delta(L,T) = A L^{d+\eta} G_-(L|t/T_c|)$, with $G_-(x) \sim (1+x/x_0)^{-(1+\beta/\nu)}$. For 2D Ising, $\alpha = 2.249 \pm 0.038$, matching $d+\eta = 9/4$ to $0.03\sigma$; the $G_-$ exponent $\gamma = 1.089 \pm 0.077$ is consistent with $1+\beta/\nu = 9/8$ ($\Delta R^2 < 10^{-5}$). For 2D Potts $q=3$ with $L$ up to 1024, $\alpha = 2.272 \pm 0.024$ ($0.2\sigma$ from $d+\eta = 2.267$), with two-term corrections to scaling ($R^2 = 0.9999$). The $G_-$ exponent $\gamma = 1.114$ (68% CI $[1.053, 1.173]$) matches $1+\beta/\nu = 17/15$. Scope boundaries: the law fails for 2D Potts $q=4$ ($\alpha = 2.347 \pm 0.017$, $9.3\sigma$ from $d+\eta = 5/2$) where logarithmic corrections prevent convergence, and for raw 3D Ising ($4\sigma$ from $d+\eta$), but density normalization $\Delta/|M|^{1/2}$ recovers $\alpha = 3.06 \pm 0.04$ ($0.6\sigma$). The framework fails for first-order, BKT, and percolation. The criterion: $\alpha = d+\eta$ holds when corrections to scaling are algebraic ($\omega > 0$) but fails when logarithmic ($\omega \to 0$).
Authors: Tareq Aldirawi, Yun Li, Wenge Guo
Abstract: Conformal risk control (CRC) provides distribution-free guarantees for controlling the expected loss at a user-specified level. Existing theory typically assumes that the loss decreases monotonically with a tuning parameter that governs the size of the prediction set. This assumption is often violated in practice, where losses may behave non-monotonically due to competing objectives such as coverage and efficiency. We study CRC under non-monotone loss functions when the tuning parameter is selected from a finite grid, a common scenario in thresholding or discretized decision rules. Revisiting a known counterexample, we show that the validity of CRC without monotonicity depends on the relationship between the calibration sample size and the grid resolution. In particular, risk control can still be achieved when the calibration sample is sufficiently large relative to the grid. We provide a finite-sample guarantee for bounded losses over a grid of size $m$, showing that the excess risk above the target level $\alpha$ is of order $\sqrt{\log(m)/n}$, where $n$ is the calibration sample size. A matching lower bound shows that this rate is minimax optimal. We also derive refined guarantees under additional structural conditions, including Lipschitz continuity and monotonicity, and extend the analysis to settings with distribution shift via importance weighting. Numerical experiments on synthetic multilabel classification and real object detection data illustrate the practical impact of non-monotonicity. Methods that account for finite-sample deviations achieve more stable risk control than approaches based on monotonicity transformations, while maintaining competitive prediction-set sizes.
Authors: Jose Antonio Lara Benitez
Abstract: We give a short linear--algebraic proof of the inequality \[ \|x\|_1\,\|x\|_\infty \le \frac{1+\sqrt{p}}{2}\,\|x\|_2^2, \] valid for every \(x\in\mathbb{R}^p\). This inequality relates three fundamental norms on finite-dimensional spaces and has applications in optimization and numerical analysis. Our proof exploits the determinantal structure of a parametrized family of quadratic forms, and we show the constant $(1+\sqrt{p})/2$ is optimal.
Authors: Smriti Jha, Matteo Paltenghi, Chandra Maddila, Vijayaraghavan Murali, Shubham Ugare, Satish Chandra
Abstract: Benchmarks that reflect production workloads are better for evaluating AI coding agents in industrial settings, yet existing benchmarks differ from real usage in programming language distribution, prompt style and codebase structure. This paper presents a methodology for curating production-derived benchmarks, illustrated through ProdCodeBench - a benchmark built from real sessions with a production AI coding assistant. We detail our data collection and curation practices including LLM-based task classification, test relevance validation, and multi-run stability checks which address challenges in constructing reliable evaluation signals from monorepo environments. Each curated sample consists of a verbatim prompt, a committed code change and fail-to-pass tests spanning seven programming languages. Our systematic analysis of four foundation models yields solve rates from 53.2% to 72.2% revealing that models making greater use of work validation tools, such as executing tests and invoking static analysis, achieve higher solve rates. This suggests that iterative verification helps achieve effective agent behavior and that exposing codebase-specific verification mechanisms may significantly improve the performance of externally trained agents operating in unfamiliar environments. We share our methodology and lessons learned to enable other organizations to construct similar production-derived benchmarks.
Authors: Yiming Fan (The Ohio State University), Jun Yeon Won (The Ohio State University), Ding Zhu (The Ohio State University), Melih Sirlanci (The Ohio State University), Mahdi Khalili (The Ohio State University), Carter Yagemann (The Ohio State University)
Abstract: Binary Function Similarity Detection (BFSD) is a core problem in software security, supporting tasks such as vulnerability analysis, malware classification, and patch provenance. In the past few decades, numerous models and tools have been developed for this application; however, due to the lack of a comprehensive universal benchmark in this field, researchers have struggled to compare different models effectively. Existing datasets are limited in scope, often focusing on a narrow set of transformations or types of binaries, and fail to reflect the full diversity of real-world applications. We introduce EXHIB, a benchmark comprising five realistic datasets collected from the wild, each highlighting a distinct aspect of the BFSD problem space. We evaluate 9 representative models spanning multiple BFSD paradigms on EXHIB and observe performance degradations of up to 30% on firmware and semantic datasets compared to standard settings, revealing substantial generalization gaps. Our results show that robustness to low- and mid-level binary variations does not generalize to high-level semantic differences, underscoring a critical blind spot in current BFSD evaluation practices.
Authors: Abdelrahman Abouzeid (Georgia Institute of Technology)
Abstract: In LLM training, normalization layers and optimizers are typically treated as independent design choices. In a 3x2 factorial at 1B parameters and 1000 training steps, we show this assumption can fail: Dynamic Erf (Derf; Chen & Liu, 2025) suffers a large negative interaction with Muon (Jordan, 2024), with its gap to RMSNorm growing from +0.31 nats under AdamW to +0.97 under Muon, approximately three times larger. Dynamic Tanh (DyT; Zhu et al., 2025), included as a bounded-normalizer control, shows no such penalty. Our evidence points to two failure modes of erf under Muon's faster spectral-norm growth: saturation (lossy compression) and scale blindness (discarding activation magnitude). An EMA-blend that reintroduces running scale estimates recovers ~84% of the gap. Separately, reducing Derf's alpha from its published default (0.5 to 0.3) recovers ~80% by keeping erf in its near-linear regime, where it approximately preserves relative scale; this setting is not the published default of Chen & Liu (2025). Using Derf's published default alpha with Muon incurs a 0.66-nat interaction penalty without producing NaNs or divergence, making the failure easy to miss in short pilot runs.
Authors: Yewei Xu, Qin Li
Abstract: Optimization over the space of probability measures endowed with the Wasserstein-2 geometry is central to modern machine learning and mean-field modeling. However, traditional methods relying on full Wasserstein gradients often suffer from high computational overhead in high-dimensional or ill-conditioned settings. We propose a randomized coordinate descent framework specifically designed for the Wasserstein manifold, introducing both Random Wasserstein Coordinate Descent (RWCD) and Random Wasserstein Coordinate Proximal{-Gradient} (RWCP) for composite objectives. By exploiting coordinate-wise structures, our methods adapt to anisotropic objective landscapes where full-gradient approaches typically struggle. We provide a rigorous convergence analysis across various landscape geometries, establishing guarantees under non-convex, Polyak-{\L}ojasiewicz, and geodesically convex conditions. Our theoretical results mirror the classic convergence properties found in Euclidean space, revealing a compelling symmetry between coordinate descent on vectors and on probability measures. The developed techniques are inherently adaptive to the Wasserstein geometry and offer a robust analytical template that can be extended to other optimization solvers within the space of measures. Numerical experiments on ill-conditioned energies demonstrate that our framework offers significant speedups over conventional full-gradient methods.
Authors: Zhihuan Wei, Xinhang Chen, Danyang Han, Yang Hu, Jie Liu, Xuewen Miao, Guijiang Li
Abstract: General aviation fault diagnosis and efficient maintenance are critical to flight safety; however, deploying deep learning models on resource-constrained edge devices poses dual challenges in computational capacity and interpretability. This paper proposes LiteInception--a lightweight interpretable fault diagnosis framework designed for edge deployment. The framework adopts a two-stage cascaded architecture aligned with standard maintenance workflows: Stage 1 performs high-recall fault detection, and Stage 2 conducts fine-grained fault classification on anomalous samples, thereby decoupling optimization objectives and enabling on-demand allocation of computational resources. For model compression, a multi-method fusion strategy based on mutual information, gradient analysis, and SE attention weights is proposed to reduce the input sensor channels from 23 to 15, and a 1+1 branch LiteInception architecture is introduced that compresses InceptionTime parameters by 70%, accelerates CPU inference by over 8x, with less than 3% F1 loss. Furthermore, knowledge distillation is introduced as a precision-recall regulation mechanism, enabling the same lightweight model to adapt to different scenarios--such as safety-critical and auxiliary diagnosis--by switching training strategies. Finally, a dual-layer interpretability framework integrating four attribution methods is constructed, providing traceable evidence chains of "which sensor x which time period." Experiments on the NGAFID dataset demonstrate a fault detection accuracy of 81.92% with 83.24% recall, and a fault identification accuracy of 77.00%, validating the framework's favorable balance among efficiency, accuracy, and interpretability.
Authors: Linyang He, Qiyao Yu, Hanze Dong, Baohao Liao, Xinxing Xu, Micah Goldblum, Jiang Bian, Nima Mesgarani
Abstract: Mathematical reasoning is a hallmark of human intelligence, and whether large language models (LLMs) can meaningfully perform it remains a central question in artificial intelligence and cognitive science. As LLMs are increasingly integrated into scientific workflows, rigorous evaluation of their mathematical capabilities becomes a practical necessity. Existing benchmarks are limited by synthetic settings and data contamination. We present LiveMathematicianBench, a dynamic multiple-choice benchmark for research-level mathematical reasoning built from recent arXiv papers published after model training cutoffs. By grounding evaluation in newly published theorems, it provides a realistic testbed beyond memorized patterns. The benchmark introduces a thirteen-category logical taxonomy of theorem types (e.g., implication, equivalence, existence, uniqueness), enabling fine-grained evaluation across reasoning forms. It employs a proof-sketch-guided distractor pipeline that uses high-level proof strategies to construct plausible but invalid answer choices reflecting misleading proof directions, increasing sensitivity to genuine understanding over surface-level matching. We also introduce a substitution-resistant mechanism to distinguish answer recognition from substantive reasoning. Evaluation shows the benchmark is far from saturated: Gemini-3.1-pro-preview, the best model, achieves only 43.5%. Under substitution-resistant evaluation, accuracy drops sharply: GPT-5.4 scores highest at 30.6%, while Gemini-3.1-pro-preview falls to 17.6%, below the 20% random baseline. A dual-mode protocol reveals that proof-sketch access yields consistent accuracy gains, suggesting models can leverage high-level proof strategies for reasoning. Overall, LiveMathematicianBench offers a scalable, contamination-resistant testbed for studying research-level mathematical reasoning in LLMs.
Authors: Jung-hun Kim, Vianney Perchet
Abstract: We study the prophet inequality, a fundamental problem in online decision-making and optimal stopping, in a practical setting where rewards are observed only through noisy realizations and reward distributions are unknown. At each stage, the decision-maker receives a noisy reward whose true value follows a linear model with an unknown latent parameter, and observes a feature vector drawn from a distribution. To address this challenge, we propose algorithms that integrate learning and decision-making via lower-confidence-bound (LCB) thresholding. In the i.i.d.\ setting, we establish that both an Explore-then-Decide strategy and an $\varepsilon$-Greedy variant achieve the sharp competitive ratio of $1 - 1/e$, under a mild condition on the optimal value. For non-identical distributions, we show that a competitive ratio of $1/2$ can be guaranteed against a relaxed benchmark. Moreover, with limited window access to past rewards, the tight ratio of $1/2$ against the optimal benchmark is achieved.
Authors: Yaxin Luo, Zhiqiang Shen
Abstract: The ratio of outlier parameters in language pre-training models and vision pre-training models differs significantly, making cross-modality (language and vision) inherently more challenging than cross-domain adaptation. As a result, many prior studies have focused on cross-domain transfer rather than attempting to bridge language and vision modalities, assuming that language pre-trained models are unsuitable for downstream visual tasks due to disparate parameter spaces. Contrary to this assumption, we show that adding a bridge training stage as a modality adaptation learner can effectively align Large Language Model (LLM) parameters with vision tasks. Specifically, we propose a simple yet powerful solution random label bridge training that requires no manual labeling and helps LLM parameters adapt to vision foundation tasks. Moreover, our findings reveal that partial bridge training is often advantageous, as certain layers in LLMs exhibit strong foundational properties that remain beneficial even without fine-tuning for visual tasks. This surprising discovery opens up new avenues for leveraging language pre-trained parameters directly within vision models and highlights the potential of partial bridge training as a practical pathway to cross-modality adaptation.
Authors: Jamie S. J. Stirling, Noura Al-Moubayed, Hubert P. H. Shum
Abstract: Vector quantization approaches (VQ-VAE, VQ-GAN) learn discrete neural representations of images, but these representations are inherently position-dependent: codes are spatially arranged and contextually entangled, requiring autoregressive or diffusion-based priors to model their dependencies at sample time. In this work, we ask whether positional information is necessary for discrete representations of spatially aligned data. We propose the permutation-invariant vector-quantized autoencoder (PI-VQ), in which latent codes are constrained to carry no positional information. We find that this constraint encourages codes to capture global, semantic features, and enables direct interpolation between images without a learned prior. To address the reduced information capacity of permutation-invariant representations, we introduce matching quantization, a vector quantization algorithm based on optimal bipartite matching that increases effective bottleneck capacity by $3.5\times$ relative to naive nearest-neighbour quantization. The compositional structure of the learned codes further enables interpolation-based sampling, allowing synthesis of novel images in a single forward pass. We evaluate PI-VQ on CelebA, CelebA-HQ and FFHQ, obtaining competitive precision, density and coverage metrics for images synthesised with our approach. We discuss the trade-offs inherent to position-free representations, including separability and interpretability of the latent codes, pointing to numerous directions for future work.
Authors: George Sebastian, Philipp Berthold, Bianca Forkel, Leon Pohl, Mirko Maehlisch
Abstract: Automotive radar perception pipelines commonly construct angle-domain representations via beamforming before applying learning-based models. This work instead investigates a representational question: can meaningful spatial structure be learned directly from pre-beamforming per-antenna range-Doppler (RD) measurements? Experiments are conducted on a 6-TX x 8-RX (48 virtual antennas) commodity automotive radar employing an A/B chirp-sequence frequency-modulated continuous-wave (CS-FMCW) transmit scheme, in which the effective transmit aperture varies between chirps (single-TX vs. multi-TX), enabling controlled analysis of chirp-dependent transmit configurations. We operate on pre-beamforming per-antenna RD tensors using a dual-chirp shared-weight encoder trained in an end-to-end, fully data-driven manner, and evaluate spatial recoverability using bird's-eye-view (BEV) occupancy as a geometric probe rather than a performance-driven objective. Supervision is visibility-aware and cross-modal, derived from LiDAR with explicit modeling of the radar field-of-view and occlusion-aware LiDAR observability via ray-based visibility. Through chirp ablations (A-only, B-only, A+B), range-band analysis, and physics-aligned baselines, we assess how transmit configurations affect geometric recoverability. The results indicate that spatial structure can be learned directly from pre-beamforming per-antenna RD tensors without explicit angle-domain construction or hand-crafted signal-processing stages.
Authors: Ga\"etan Hadjeres, Marc Ferras, Khaled Koutini, Benno Weck, Alexandre Bittar, Thomas Hummel, Zineb Lahrici, Hakim Missoum, Joan Serr\`a, Yuki Mitsufuji
Abstract: The audio research community depends on open generative models as foundational tools for building novel approaches and establishing baselines. In this report, we present Woosh, Sony AI's publicly released sound effect foundation model, detailing its architecture, training process, and an evaluation against other popular open models. Being optimized for sound effects, we provide (1) a high-quality audio encoder/decoder model and (2) a text-audio alignment model for conditioning, together with (3) text-to-audio and (4) video-to-audio generative models. Distilled text-to-audio and video-to-audio models are also included in the release, allowing for low-resource operation and fast inference. Our evaluation on both public and private data shows competitive or better performance for each module when compared to existing open alternatives like StableAudio-Open and TangoFlux. Inference code and model weights are available at https://github.com/SonyResearch/Woosh. Demo samples can be found at https://sonyresearch.github.io/Woosh/.
URLs: https://github.com/SonyResearch/Woosh., https://sonyresearch.github.io/Woosh/.
Authors: Isma\"il Baaj, Pierre Marquis
Abstract: We consider learning with possibilistic supervision for multi-class classification. For each training instance, the supervision is a normalized possibility distribution that expresses graded plausibility over the classes. From this possibility distribution, we construct a non-empty closed convex set of admissible probability distributions by combining two requirements: probabilistic compatibility with the possibility and necessity measures induced by the possibility distribution, and linear shape constraints that must be satisfied to preserve the qualitative structure of the possibility distribution. Thus, classes with the same possibility degree receive equal probabilities, and if a class has a strictly larger possibility degree than another class, then it receives a strictly larger probability. Given a strictly positive probability vector output by a model for an instance, we compute its Kullback-Leibler projection onto the admissible set. This projection yields the closest admissible probability distribution in Kullback-Leibler sense. We can then train the model by minimizing the divergence between the prediction and its projection, which quantifies the smallest adjustment needed to satisfy the induced dominance and shape constraints. The projection is computed with Dykstra's algorithm using Bregman projections associated with the negative entropy, and we provide explicit formulas for the projections onto each constraint set. Experiments conducted on synthetic data and on a real-world natural language inference task, based on the ChaosNLI dataset, show that the proposed projection algorithm is efficient enough for practical use, and that the resulting projection-based learning objective can improve predictive performance.
Authors: Dominique Pastor, Elsa Dupraz, Ismail Hbilou, Guillaume Ansel
Abstract: This paper addresses the problem of clustering measurement vectors that are heteroscedastic in that they can have different covariance matrices. From the assumption that the measurement vectors within a given cluster are Gaussian distributed with possibly different and unknown covariant matrices around the cluster centroid, we introduce a novel cost function to estimate the centroids. The zeros of the gradient of this cost function turn out to be the fixed-points of a certain function. As such, the approach generalizes the methodology employed to derive the existing Mean-Shift algorithm. But as a main and novel theoretical result compared to Mean-Shift, this paper shows that the sole fixed-points of the identified function tend to be the cluster centroids if both the number of measurements per cluster and the distances between centroids are large enough. As a second contribution, this paper introduces the Wald kernel for clustering. This kernel is defined as the p-value of the Wald hypothesis test for testing the mean of a Gaussian. As such, the Wald kernel measures the plausibility that a measurement vector belongs to a given cluster and it scales better with the dimension of the measurement vectors than the usual Gaussian kernel. Finally, the proposed theoretical framework allows us to derive a new clustering algorithm called CENTRE-X that works by estimating the fixed-points of the identified function. As Mean-Shift, CENTRE-X requires no prior knowledge of the number of clusters. It relies on a Wald hypothesis test to significantly reduce the number of fixed points to calculate compared to the Mean-Shift algorithm, thus resulting in a clear gain in complexity. Simulation results on synthetic and real data sets show that CENTRE-X has comparable or better performance than standard clustering algorithms K-means and Mean-Shift, even when the covariance matrices are not perfectly known.
Authors: Anatolij Zubow, Joana Angjo, Sigrid Dimce, Falko Dressler
Abstract: Wideband channel frequency response (CFR) estimation is challenging in multi-band wireless systems, especially when one or more sub-bands are temporarily blocked by co-channel interference. We present a physics-informed complex Transformer that reconstructs the full wideband CFR from such fragmented, partially observed spectrum snapshots. The interference pattern in each sub-band is modeled as an independent two-state discrete-time Markov chain, capturing realistic bursty occupancy behavior. Our model operates on the joint time-frequency grid of $T$ snapshots and $F$ frequency bins and uses a factored self-attention mechanism that separately attends along both axes, reducing the computational complexity to $O(TF^2 + FT^2)$. Complex-valued inputs and outputs are processed through a holomorphic linear layer that preserves phase relationships. Training uses a composite physics-informed loss combining spectral fidelity, power delay profile (PDP) reconstruction, channel impulse response (CIR) sparsity, and temporal smoothness. Mobility effects are incorporated through per-sample velocity randomization, enabling generalization across different mobility regimes. Evaluation against three classical baselines, namely, last-observation-carry-forward, zero-fill, and cubic-spline interpolation, shows that our approach achieves the highest PDP similarity with respect to the ground truth, reaching $\rho \geq 0.82$ compared to $\rho \geq 0.62$ for the best baseline at interference occupancy levels up to 50%. Furthermore, the model degrades smoothly across the full velocity range, consistently outperforming all other baselines.
Authors: Saja Al-Dabet, Sherzod Turaev, Nazar Zaki
Abstract: Abnormal head movements (AHMs) manifest across a broad spectrum of neurological disorders; however, the absence of a multi-condition resource integrating kinematic measurements, clinical severity scores, and patient demographics constitutes a persistent barrier to the development of AI-driven diagnostic tools. To address this gap, this study introduces NeuroPose-AHM, a knowledge-based dataset of neurologically induced AHMs constructed through a multi-LLM extraction framework applied to 1,430 peer-reviewed publications. The dataset contains 2,756 patient-group-level records spanning 57 neurological conditions, derived from 846 AHM-relevant papers. Inter-LLM reliability analysis confirms robust extraction performance, with study-level classification achieving strong agreement (kappa = 0.822). To demonstrate the dataset's analytical utility, a four-task framework is applied to cervical dystonia (CD), the condition most directly defined by pathological head movement. First, Task 1 performs multi-label AHM type classification (F1 = 0.856). Task 2 constructs the Head-Neck Severity Index (HNSI), a unified metric that normalizes heterogeneous clinical rating scales. The clinical relevance of this index is then evaluated in Task 3, where HNSI is validated against real-world CD patient data, with aligned severe-band proportions (6.7%) providing a preliminary plausibility indication for index calibration within the high severity range. Finally, Task 4 performs bridge analysis between movement-type probabilities and HNSI scores, producing significant correlations (p less than 0.001). These results demonstrate the analytical utility of NeuroPose-AHM as a structured, knowledge-based resource for neurological AHM research. The NeuroPose-AHM dataset is publicly available on Zenodo (https://doi.org/10.5281/zenodo.19386862).
Authors: Ayush Garg, Sophia Hager, Jacob Montiel, Aditya Tiwari, Michael Gentile, Zach Reavis, David Magnotti, Wayne Fullen
Abstract: Security teams face a challenge: the volume of newly disclosed Common Vulnerabilities and Exposures (CVEs) far exceeds the capacity to manually develop detection mechanisms. In 2025, the National Vulnerability Database published over 48,000 new vulnerabilities, motivating the need for automation. We present RuleForge, an AWS internal system that automatically generates detection rules--JSON-based patterns that identify malicious HTTP requests exploiting specific vulnerabilities--from structured Nuclei templates describing CVE details. Nuclei templates provide standardized, YAML-based vulnerability descriptions that serve as the structured input for our rule generation process. This paper focuses on RuleForge's architecture and operational deployment for CVE-related threat detection, with particular emphasis on our novel LLM-as-a-judge (Large Language Model as judge) confidence validation system and systematic feedback integration mechanism. This validation approach evaluates candidate rules across two dimensions--sensitivity (avoiding false negatives) and specificity (avoiding false positives)--achieving AUROC of 0.75 and reducing false positives by 67% compared to synthetic-test-only validation in production. Our 5x5 generation strategy (five parallel candidates with up to five refinement attempts each) combined with continuous feedback loops enables systematic quality improvement. We also present extensions enabling rule generation from unstructured data sources and demonstrate a proof-of-concept agentic workflow for multi-event-type detection. Our lessons learned highlight critical considerations for applying LLMs to cybersecurity tasks, including overconfidence mitigation and the importance of domain expertise in both prompt design and quality review of generated rules through human-in-the-loop validation.
Authors: Hugo Koubbi, Borjan Geshkovski, Philippe Rigollet
Abstract: We study a random model of deep multi-head self-attention in which the weights are resampled independently across layers and heads, as at initialization of training. Viewing depth as a time variable, the residual stream defines a discrete-time interacting particle system on the unit sphere. We prove that, under suitable joint scalings of the depth, the residual step size, and the number of heads, this dynamics admits a nontrivial homogenized limit. Depending on the scaling, the limit is either deterministic or stochastic with common noise; in the mean-field regime, the latter leads to a stochastic nonlinear Fokker--Planck equation for the conditional law of a representative token. In the Gaussian setting, the limiting drift vanishes, making the homogenized dynamics explicit enough to study representation collapse. This yields quantitative trade-offs between dimension, context length, and temperature, and identifies regimes in which clustering can be mitigated.
Authors: Antoine Saporta, Baptiste Callard, Corentin Dancette, Julien Khlaut, Charles Corbi\`ere, Leo Butsanets, Amaury Prat, Pierre Manceron
Abstract: The rapid growth of medical imaging has fueled the development of Foundation Models (FMs) to reduce the growing, unsustainable workload on radiologists. While recent FMs have shown the power of large-scale pre-training to CT and MRI analysis, there remains significant room to optimize how these models learn from complex radiological volumes. Building upon the Curia framework, this work introduces Curia-2, which significantly improves the original pre-training strategy and representation quality to better capture the specificities of radiological data. The proposed methodology enables scaling the architecture up to billion-parameter Vision Transformers, marking a first for multi-modal CT and MRI FMs. Furthermore, we formalize the evaluation of these models by extending and restructuring CuriaBench into two distinct tracks: a 2D track tailored for slice-based vision models and a 3D track for volumetric benchmarking. Our results demonstrate that Curia-2 outperforms all FMs on vision-focused tasks and fairs competitively to vision-language models on clinically complex tasks such as finding detection. Weights will be made publicly available to foster further research.
Authors: Naht Sinh Le (LAMA), Christophe Denis (SAMM), Mohamed Hebiri (LAMA)
Abstract: Demographic parity (DP) is a widely studied fairness criterion in regression, enforcing independence between the predictions and sensitive attributes. However, constraining the entire distribution can degrade predictive accuracy and may be unnecessary for many applications, where fairness concerns are localized to specific regions of the distribution. To overcome this issue, we propose a new framework for regression under DP that focuses on the tails of target distribution across sensitive groups. Our methodology builds on optimal transport theory. By enforcing fairness constraints only over targeted regions of the distribution, our approach enables more nuanced and context-sensitive interventions. Leveraging recent advances, we develop an interpretable and flexible algorithm that leverages the geometric structure of optimal transport. We provide theoretical guarantees, including risk bounds and fairness properties, and validate the method through experiments in regression settings.
Authors: Xiaofei Song, Kerstin Eder, Jonathan Lawry, R. Eddie Wilson
Abstract: In this work, we extend our systematic capacity region perspective to multi-junction traffic networks, focussing on the special case of an urban corridor network. In particular, we train and evaluate centralized, fully decentralized, and parameter-sharing decentralized RL controllers, and compare their capacity regions and ATTs together with a classical baseline MaxPressure controller. Further, we show how the parametersharing controller may be generalised to be deployed on a larger network than it was originally trained on. In this setting, we show some initial findings that suggest that even though the junctions are not formally coordinated, traffic may self organise into `green waves'.
Authors: Sebastian-Ion Nae, Radu Moldoveanu, Alexandra Stefania Ghita, Adina Magda Florea
Abstract: Understanding human behaviour in crowded indoor environments is central to surveillance, smart buildings, and human-robot interaction, yet existing datasets rarely capture real-world indoor complexity at scale. We introduce IndoorCrowd, a multi-scene dataset for indoor human detection, instance segmentation, and multi-object tracking, collected across four campus locations (ACS-EC, ACS-EG, IE-Central, R-Central). It comprises $31$ videos ($9{,}913$ frames at $5$fps) with human-verified, per-instance segmentation masks. A $620$-frame control subset benchmarks three foundation-model auto-annotators: SAM3, GroundingSAM, and EfficientGroundingSAM, against human labels using Cohen's $\kappa$, AP, precision, recall, and mask IoU. A further $2{,}552$-frame subset supports multi-object tracking with continuous identity tracks in MOTChallenge format. We establish detection, segmentation, and tracking baselines using YOLOv8n, YOLOv26n, and RT-DETR-L paired with ByteTrack, BoT-SORT, and OC-SORT. Per-scene analysis reveals substantial difficulty variation driven by crowd density, scale, and occlusion: ACS-EC, with $79.3\%$ dense frames and a mean instance scale of $60.8$px, is the most challenging scene. The project page is available at https://sheepseb.github.io/IndoorCrowd/.
Authors: Yun Zhao, Alex S. L. Tse, Harry Zheng
Abstract: We study a speculative trading problem within the exploratory reinforcement learning (RL) framework of Wang et al. [2020]. The problem is formulated as a sequential optimal stopping problem over entry and exit times under general utility function and price process. We first consider a relaxed version of the problem in which the stopping times are modeled by the jump times of Cox processes driven by bounded, non-randomized intensity controls. Under the exploratory formulation, the agent's randomized control is characterized via the probability measure over the jump intensities, and their objective function is regularized by Shannon's differential entropy. This yields a system of the exploratory HJB equations and Gibbs distributions in closed-form as the optimal policy. Error estimates and convergence of the RL objective to the value function of the original problem are established. Finally, an RL algorithm is designed, and its implementation is showcased in a pairs-trading application.
Authors: Soo Won Seo, KyungChae Lee, Hyungchan Cho, Taein Son, Nam Ik Cho, Jun Won Choi
Abstract: Human-Object Interaction (HOI) detection aims to localize human-object pairs and classify their interactions from a single image, a task that demands strong visual understanding and nuanced contextual reasoning. Recent approaches have leveraged Vision-Language Models (VLMs) to introduce semantic priors, significantly improving HOI detection performance. However, existing methods often fail to fully capitalize on the diverse contextual cues distributed across the entire scene. To overcome these limitations, we propose the Instance-centric Context Mining Network (InCoM-Net)-a novel framework that effectively integrates rich semantic knowledge extracted from VLMs with instance-specific features produced by an object detector. This design enables deeper interaction reasoning by modeling relationships not only within each detected instance but also across instances and their surrounding scene context. InCoM-Net comprises two core components: Instancecentric Context Refinement (ICR), which separately extracts intra-instance, inter-instance, and global contextual cues from VLM-derived features, and Progressive Context Aggregation (ProCA), which iteratively fuses these multicontext features with instance-level detector features to support high-level HOI reasoning. Extensive experiments on the HICO-DET and V-COCO benchmarks show that InCoM-Net achieves state-of-the-art performance, surpassing previous HOI detection methods. Code is available at https://github.com/nowuss/InCoM-Net.
Authors: Jiachun Jin, Zetong Zhou, Xiao Yang, Hao Zhang, Pengfei Liu, Jun Zhu, Zhijie Deng
Abstract: Unified models (UMs) hold promise for their ability to understand and generate content across heterogeneous modalities. Compared to merely generating visual content, the use of UMs for interleaved cross-modal reasoning is more promising and valuable, e.g., for solving understanding problems that require dense visual thinking, improving visual generation through self-reflection, or modeling visual dynamics of the physical world guided by stepwise action interventions. However, existing UMs necessitate pixel decoding as a bridge due to their disjoint visual representations for understanding and generation, which is both ineffective and inefficient. In this paper, we introduce LatentUM, a novel unified model that represents all modalities within a shared semantic latent space, eliminating the need for pixel-space mediation between visual understanding and generation. This design naturally enables flexible interleaved cross-modal reasoning and generation. Beyond improved computational efficiency, the shared representation substantially alleviates codec bias and strengthens cross-modal alignment, allowing LatentUM to achieve state-of-the-art performance on the Visual Spatial Planning benchmark, push the limits of visual generation through self-reflection, and support world modeling by predicting future visual states within the shared semantic latent space.
Authors: Haitong Sun, Stephen McIntosh, Kwanghee Choi, Eunjung Yeo, Daisuke Saito, Nobuaki Minematsu
Abstract: Speech representations from self-supervised speech models (S3Ms) are known to be sensitive to phonemic contrasts, but their sensitivity to prosodic contrasts has not been directly measured. The ABX discrimination task has been used to measure phonemic contrast in S3M representations via minimal pairs. We introduce prosodic ABX, an extension of this framework to evaluate prosodic contrast with only a handful of examples and no explicit labels. Also, we build and release a dataset of English and Japanese minimal pairs and use it along with a Mandarin dataset to evaluate contrast in English stress, Japanese pitch accent, and Mandarin tone. Finally, we show that model and layer rankings are often preserved across several experimental conditions, making it practical for low-resource settings.
Authors: Jinsu Shin, Sungeun Hong, Jin Yeong Bak
Abstract: Online handwriting represents strokes as time-ordered trajectories, which makes handwritten content easier to transform and reuse in a wide range of applications. However, generating natural sentence-level online handwriting that faithfully reflects a writer's style remains challenging, since sentence synthesis demands context-dependent characters with stroke continuity and spacing. Prior methods treat these boundary properties as implicit outcomes of sequence modeling, which becomes unreliable at the sentence scale and under limited compositional diversity. We propose CASHG, a context-aware stylized online handwriting generator that explicitly models inter-character connectivity for style-consistent sentence-level trajectory synthesis. CASHG uses a Character Context Encoder to obtain character identity and sentence-dependent context memory and fuses them in a bigram-aware sliding-window Transformer decoder that emphasizes local predecessor--current transitions, complemented by gated context fusion for sentence-level context.Training proceeds through a three-stage curriculum from isolated glyphs to full sentences, improving robustness under sparse transition coverage. We further introduce Connectivity and Spacing Metrics (CSM), a boundary-aware evaluation suite that quantifies cursive connectivity and spacing similarity. Under benchmark-matched evaluation protocols, CASHG consistently improves CSM over comparison methods while remaining competitive in DTW-based trajectory similarity, with gains corroborated by a human evaluation.
Authors: Anirvan Dutta, Simone Tasciotti, Claudia Cusseddu, Ang Li, Panayiota Poirazi, Julijana Gjorgjieva, Etienne Burdet, Patrick van der Smagt, Mohsen Kaboli
Abstract: Estimating physical properties is critical for safe and efficient autonomous robotic manipulation, particularly during contact-rich interactions. In such settings, vision and tactile sensing provide complementary information about object geometry, pose, inertia, stiffness, and contact dynamics, such as stick-slip behavior. However, these properties are only indirectly observable and cannot always be modeled precisely (e.g., deformation in non-rigid objects coupled with nonlinear contact friction), making the estimation problem inherently complex and requiring sustained exploitation of visuo-tactile sensory information during action. Existing visuo-tactile perception frameworks have primarily emphasized forceful sensor fusion or static cross-modal alignment, with limited consideration of how uncertainty and beliefs about object properties evolve over time. Inspired by human multi-sensory perception and active inference, we propose the Cross-Modal Latent Filter (CMLF) to learn a structured, causal latent state-space of physical object properties. CMLF supports bidirectional transfer of cross-modal priors between vision and touch and integrates sensory evidence through a Bayesian inference process that evolves over time. Real-world robotic experiments demonstrate that CMLF improves the efficiency and robustness of latent physical properties estimation under uncertainty compared to baseline approaches. Beyond performance gains, the model exhibits perceptual coupling phenomena analogous to those observed in humans, including susceptibility to cross-modal illusions and similar trajectories in learning cross-sensory associations. Together, these results constitutes a significant step toward generalizable, robust and physically consistent cross-modal integration for robotic multi-sensory perception.
Authors: Ludwig Burger, Annalena Kofler, Lukas Heinrich, Ulrich Gerland
Abstract: Stochastic kinetic models are ubiquitous in physics, yet inferring their parameters from experimental data remains challenging. In deterministic models, parameter inference often relies on gradients, as they can be obtained efficiently through automatic differentiation. However, these tools cannot be directly applied to stochastic simulation algorithms (SSA) such as the Gillespie algorithm, since sampling from a discrete set of reactions introduces non-differentiable operations. In this work, we adopt three gradient estimators from machine learning for the Gillespie SSA: the Gumbel-Softmax Straight-Through (GS-ST) estimator, the Score Function estimator, and the Alternative Path estimator. We compare the properties of all estimators in two representative systems exhibiting relaxation or oscillatory dynamics, where the latter requires gradient estimation of time-dependent objective functions. We find that the GS-ST estimator mostly yields well-behaved gradient estimates, but exhibits diverging variance in challenging parameter regimes, resulting in unsuccessful parameter inference. In these cases, the other estimators provide more robust, lower variance gradients. Our results demonstrate that gradient-based parameter inference can be integrated effectively with the Gillespie SSA, with different estimators offering complementary advantages.
Authors: Heet Nagoriya, Komal Rohit
Abstract: Cloud computing allows scalable resource provisioning, but dynamic workload changes often lead to higher costs due to over-provisioning. Machine learning (ML) approaches, such as Long Short-Term Memory (LSTM) networks, are effective for predicting workload patterns at a higher level, but they can introduce delays during sudden traffic spikes. In contrast, mathematical heuristics like Game Theory provide fast and reliable scheduling decisions, but they do not account for future workload changes. To address this trade-off, this paper proposes a hybrid orchestration framework that combines LSTM-based predictive scaling with heuristic task allocation. The results show that this approach reduces infrastructure costs close to ML-based models while maintaining fast response times similar to heuristic methods. This work presents a practical approach for improving cost efficiency in cloud resource management.
Authors: Vickson Ferrel
Abstract: As TLS 1.3 encryption limits traditional Deep Packet Inspection (DPI), the security community has pivoted to Euclidean Transformer-based classifiers (e.g., ET-BERT) for encrypted traffic analysis. However, these models remain vulnerable to byte-level adversarial morphing -- recent pre-padding attacks reduced ET-BERT accuracy to 25.68%, while VLESS Reality bypasses certificate-based detection entirely. We introduce AEGIS: an Adversarial Entropy-Guided Immune System powered by a Thermodynamic Variance-Guided Hyperbolic Liquid State Space Model (TVD-HL-SSM). Rather than competing in the Euclidean payload-reading domain, AEGIS discards payload bytes in favor of 6-dimensional continuous-time flow physics projected into a non-Euclidean Poincare manifold. Liquid Time-Constants measure microsecond IAT decay, and a Thermodynamic Variance Detector computes sequence-wide Shannon Entropy to expose automated C2 tunnel anomalies. A pure C++ eBPF Harvester with zero-copy IPC bypasses the Python GIL, enabling a linear-time O(N) Mamba-3 core to process 64,000-packet swarms at line-rate. Evaluated on a 400GB, 4-tier adversarial corpus spanning backbone traffic, IoT botnets, zero-days, and proprietary VLESS Reality tunnels, AEGIS achieves an F1-score of 0.9952 and 99.50% True Positive Rate at 262 us inference latency on an RTX 4090, establishing a new state-of-the-art for physics-based adversarial network defense.
Authors: Atilla Kaan Alkan, Felix Grezes, Sergi Blanco-Cuaresma, Jennifer Lynn Bartlett, Daniel Chivvis, Anna Kelbert, Kelly Lockhart, Alberto Accomazzi
Abstract: Scientific multi-label text classification suffers from extreme class imbalance, where specialized terminology exhibits severe power-law distributions that challenge standard classification approaches. Existing scientific corpora lack comprehensive controlled vocabularies, focusing instead on broad categories and limiting systematic study of extreme imbalance. We introduce AstroConcepts, a corpus of English abstracts from 21,702 published astrophysics papers, labeled with 2,367 concepts from the Unified Astronomy Thesaurus. The corpus exhibits severe label imbalance, with 76% of concepts having fewer than 50 training examples. By releasing this resource, we enable systematic study of extreme class imbalance in scientific domains and establish strong baselines across traditional, neural, and vocabulary-constrained LLM methods. Our evaluation reveals three key patterns that provide new insights into scientific text classification. First, vocabulary-constrained LLMs achieve competitive performance relative to domain-adapted models in astrophysics classification, suggesting a potential for parameter-efficient approaches. Second, domain adaptation yields relatively larger improvements for rare, specialized terminology, although absolute performance remains limited across all methods. Third, we propose frequency-stratified evaluation to reveal performance patterns that are hidden by aggregate scores, thereby making robustness assessment central to scientific multi-label evaluation. These results offer actionable insights for scientific NLP and establish benchmarks for research on extreme imbalance.
Authors: Beste Oztop, Dhruva Kulkarni, Zhengji Zhao, Ayse Kivilcim Coskun, Kadidia Konate
Abstract: Efficient utilization of GPU resources and power has become critical with the growing demand for GPUs in high-performance computing (HPC). In this paper, we analyze GPU utilization and GPU memory utilization, as well as the power consumption of the Vienna ab initio Simulation Package (VASP), using the Slurm workload manager historical logs and GPU performance metrics collected by NVIDIA's Data Center GPU Manager (DCGM). VASP is a widely used materials science application on Perlmutter at NERSC, an HPE Cray EX system based on NVIDIA A100 GPUs. Using our insights from the resource utilization analysis of VASP applications, we propose a resource prediction framework to predict the average GPU power, maximum GPU utilization, and maximum GPU memory utilization values of heterogeneous HPC system applications to enable more efficient scheduling decisions and power-aware system operation. Our prediction framework consists of two stages: 1) using only the Slurm accounting logs as training data and 2) augmenting the training data with historical GPU profiling metrics collected with DCGM. The maximum GPU utilization predictions using only the Slurm submission features achieve up to 97% accuracy. Furthermore, features engineered from GPU-compute and memory activity metrics exhibit good correlations with average power utilization, and our runtime power usage prediction experiments result in up to 92% prediction accuracy. These findings demonstrate the effectiveness of DCGM metrics in capturing application characteristics and highlight their potential for developing predictive models to support dynamic power management in HPC systems.
Authors: Atilla Kaan Alkan, Felix Grezes, Jennifer Lynn Bartlett, Anna Kelbert, Kelly Lockhart, Alberto Accomazzi
Abstract: We present our participation in the SOMD 2026 shared task on cross-document software mention coreference resolution, where our systems ranked second across all three subtasks. We compare two fine-tuning-free approaches: Fuzzy Matching (FM), a lexical string-similarity method, and Context Aware Representations (CAR), which combines mention-level and document-level embeddings. Both achieve competitive performance across all subtasks (CoNLL F1 of 0.94-0.96), with CAR consistently outperforming FM by 1 point on the official test set, consistent with the high surface regularity of software names, which reduces the need for complex semantic reasoning. A controlled noise-injection study reveals complementary failure modes: as boundary noise increases, CAR loses only 0.07 F1 points from clean to fully corrupted input, compared to 0.20 for FM, whereas under mention substitution, FM degrades more gracefully (0.52 vs. 0.63). Our inference-time analysis shows that FM scales superlinearly with corpus size, whereas CAR scales approximately linearly, making CAR the more efficient choice at large scale. These findings suggest that system selection should be informed by both the noise profile of the upstream mention detector and the scale of the target corpus. We release our code to support future work on this underexplored task.
Authors: Jeremy Herbst, Jae Hee Lee, Stefan Wermter
Abstract: Mixture-of-Experts (MoE) architectures have become the dominant choice for scaling Large Language Models (LLMs), activating only a subset of parameters per token. While MoE architectures are primarily adopted for computational efficiency, it remains an open question whether their sparsity makes them inherently easier to interpret than dense feed-forward networks (FFNs). We compare MoE experts and dense FFNs using $k$-sparse probing and find that expert neurons are consistently less polysemantic, with the gap widening as routing becomes sparser. This suggests that sparsity pressures both individual neurons and entire experts toward monosemanticity. Leveraging this finding, we zoom out from the neuron to the expert level as a more effective unit of analysis. We validate this approach by automatically interpreting hundreds of experts. This analysis allows us to resolve the debate on specialization: experts are neither broad domain specialists (e.g., biology) nor simple token-level processors. Instead, they function as fine-grained task experts, specializing in linguistic operations or semantic tasks (e.g., closing brackets in LaTeX). Our findings suggest that MoEs are inherently interpretable at the expert level, providing a clearer path toward large-scale model interpretability. Code is available at: https://github.com/jerryy33/MoE_analysis
Authors: Jiping Luo, Nikolaos Pappas
Abstract: Many communication and control problems are cast as multi-objective Markov decision processes (MOMDPs). The complete solution to an MOMDP is the Pareto front. Much of the literature approximates this front via scalarization into single-objective MDPs. Recent work has begun to characterize the full front in discounted or simple bi-objective settings by exploiting its geometry. In this work, we characterize the exact front in average-cost MOMDPs. We show that the front is a continuous, piecewise-linear surface lying on the boundary of a convex polytope. Each vertex corresponds to a deterministic policy, and adjacent vertices differ in exactly one state. Each edge is realized as a convex combination of the policies at its endpoints, with the mixing coefficient given in closed form. We apply these results to a remote state estimation problem, where each vertex on the front corresponds to a threshold policy. The exact Pareto front and solutions to certain non-convex MDPs can be obtained without explicitly solving any MDP.
Authors: Thomas Stefani, Johann Maximilian Christensen, Elena Hoemann, Frank K\"oster, Sven Hallerbach
Abstract: While Artificial Intelligence (AI) offers transformative potential for operational performance, its deployment in safety-critical domains such as aviation requires strict adherence to rigorous certification standards. Current EASA guidelines mandate demonstrating complete coverage of the AI/ML constituent's Operational Design Domain (ODD) -- a requirement that demands proof that no critical gaps exist within defined operational boundaries. However, as systems operate within high-dimensional parameter spaces, existing methods struggle to provide the scalability and formal grounding necessary to satisfy the completeness criterion. Currently, no standardized engineering method exists to bridge the gap between abstract ODD definitions and verifiable evidence. This paper addresses this void by proposing a method that integrates parameter discretization, constraint-based filtering, and criticality-based dimension reduction into a structured, multi-step ODD coverage verification process. Grounded in gathered simulation data from prior research on AI-based mid-air collision avoidance research, this work demonstrates a systematic engineering approach to defining and achieving coverage metrics that satisfy EASA's demand for completeness. Ultimately, this method enables the validation of ODD coverage in higher dimensions, advancing a Safety-by-Design approach while complying with EASA's standards.
Authors: Juarez Monteiro, Nathan Gavenski, Gianlucca Zuin, Adriano Veloso
Abstract: Reinforcement learning (RL) agents often struggle with out-of-distribution (OOD) scenarios, leading to high uncertainty and random behavior. While language models (LMs) contain valuable world knowledge, larger ones incur high computational costs, hindering real-time use, and exhibit limitations in autonomous planning. We introduce Adaptive Safety through Knowledge (ASK), which combines smaller LMs with trained RL policies to enhance OOD generalization without retraining. ASK employs Monte Carlo Dropout to assess uncertainty and queries the LM for action suggestions only when uncertainty exceeds a set threshold. This selective use preserves the efficiency of existing policies while leveraging the language model's reasoning in uncertain situations. In experiments on the FrozenLake environment, ASK shows no improvement in-domain, but demonstrates robust navigation in transfer tasks, achieving a reward of 0.95. Our findings indicate that effective neuro-symbolic integration requires careful orchestration rather than simple combination, highlighting the need for sufficient model scale and effective hybridization mechanisms for successful OOD generalization.
Authors: Robert Baumgartner, Sicco Verwer
Abstract: This is an extended version of our publication Learning state machines from data streams: A generic strategy and an improved heuristic, International Conference on Grammatical Inference (ICGI) 2023, Rabat, Morocco. It has been extended with a formal proof on PAC-bounds, and the discussion and analysis of a similar approach has been moved from the appendix and is now a full Section. State machines models are models that simulate the behavior of discrete event systems, capable of representing systems such as software systems, network interactions, and control systems, and have been researched extensively. The nature of most learning algorithms however is the assumption that all data be available at the beginning of the algorithm, and little research has been done in learning state machines from streaming data. In this paper, we want to close this gap further by presenting a generic method for learning state machines from data streams, as well as a merge heuristic that uses sketches to account for incomplete prefix trees. We implement our approach in an open-source state merging library and compare it with existing methods. We show the effectiveness of our approach with respect to run-time, memory consumption, and quality of results on a well known open dataset. Additionally, we provide a formal analysis of our algorithm, showing that it is capable of learning within the PAC framework, and show a theoretical improvement to increase run-time, without sacrificing correctness of the algorithm in larger sample sizes.
Authors: Abhilash Kar, Basisth Saha, Tanmay Sen, Biswabrata Pradhan
Abstract: Multimodal time-to-event prediction often requires integrating sensitive data distributed across multiple parties, making centralized model training impractical due to privacy constraints. At the same time, most existing multimodal survival models produce single deterministic predictions without indicating how confident the model is in its estimates, which can limit their reliability in real-world decision making. To address these challenges, we propose BVFLMSP, a Bayesian Vertical Federated Learning (VFL) framework for multimodal time-to-event analysis based on a Split Neural Network architecture. In BVFLMSP, each client independently models a specific data modality using a Bayesian neural network, while a central server aggregates intermediate representations to perform survival risk prediction. To enhance privacy, we integrate differential privacy mechanisms by perturbing client side representations before transmission, providing formal privacy guarantees against information leakage during federated training. We first evaluate our Bayesian multimodal survival model against widely used single modality survival baselines and the centralized multimodal baseline MultiSurv. Across multimodal settings, the proposed method shows consistent improvements in discrimination performance, with up to 0.02 higher C-index compared to MultiSurv. We then compare federated and centralized learning under varying privacy budgets across different modality combinations, highlighting the tradeoff between predictive performance and privacy. Experimental results show that BVFLMSP effectively includes multimodal data, improves survival prediction over existing baselines, and remains robust under strict privacy constraints while providing uncertainty estimates.
Authors: Merve Karakas, Osama Hanna, Lin F. Yang, Christina Fragouli
Abstract: In this paper, we consider a multi-armed bandit (MAB) instance and study how to identify the best arm when arm commands are conveyed from a central learner to a distributed agent over a discrete memoryless channel (DMC). Depending on the agent capabilities, we provide communication schemes along with their analysis, which interestingly relate to the zero-error capacity of the underlying DMC.
Authors: Keerat Guliani, Deepkamal Gill, David Landsman, Nima Eshraghi, Krishna Kumar, Lovedeep Gondara
Abstract: Regulatory documents encode legally binding obligations that LLM-based systems must respect. Yet converting dense, hierarchically structured legal text into machine-readable rules remains a costly, expert-intensive process. We present De Jure, a fully automated, domain-agnostic pipeline for extracting structured regulatory rules from raw documents, requiring no human annotation, domain-specific prompting, or annotated gold data. De Jure operates through four sequential stages: normalization of source documents into structured Markdown; LLM-driven semantic decomposition into structured rule units; multi-criteria LLM-as-a-judge evaluation across 19 dimensions spanning metadata, definitions, and rule semantics; and iterative repair of low-scoring extractions within a bounded regeneration budget, where upstream components are repaired before rule units are evaluated. We evaluate De Jure across four models on three regulatory corpora spanning finance, healthcare, and AI governance. On the finance domain, De Jure yields consistent and monotonic improvement in extraction quality, reaching peak performance within three judge-guided iterations. De Jure generalizes effectively to healthcare and AI governance, maintaining high performance across both open- and closed-source models. In a downstream compliance question-answering evaluation via RAG, responses grounded in De Jure extracted rules are preferred over prior work in 73.8% of cases at single-rule retrieval depth, rising to 84.0% under broader retrieval, confirming that extraction fidelity translates directly into downstream utility. These results demonstrate that explicit, interpretable evaluation criteria can substitute for human annotation in complex regulatory domains, offering a scalable and auditable path toward regulation-grounded LLM alignment.
Authors: Christian Ferko, James Halverson, Vishnu Jejjala, Brandon Robinson
Abstract: Neural network field theory formulates field theory as a statistical ensemble of fields defined by a network architecture and a density on its parameters. We extend the construction to topological settings via the inclusion of discrete parameters that label the topological quantum number. We recover the Berezinskii--Kosterlitz--Thouless transition, including the spin-wave critical line and the proliferation of vortices at high temperatures. We also verify the T-duality of the bosonic string, showing invariance under the exchange of momentum and winding on $S^1$, the transformation of the sigma model couplings according to the Buscher rules on constant toroidal backgrounds, the enhancement of the current algebra at self-dual radius, and non-geometric T-fold transition functions.
Authors: Daiwei Chen, Zhoutong Fu, Chengming Jiang, Haichao Zhang, Ran Zhou, Tan Wang, Chunnan Yao, Guoyao Li, Rui Cai, Yihan Cao, Ruijie Jiang, Fedor Borisyuk, Jianqiang Shen, Jingwei Wu, Ramya Korlakai Vinayak
Abstract: Language models (LMs) are increasingly extended with new learnable vocabulary tokens for domain-specific tasks, such as Semantic-ID tokens in generative recommendation. The standard practice initializes these new tokens as the mean of existing vocabulary embeddings, then relies on supervised fine-tuning to learn their representations. We present a systematic analysis of this strategy: through spectral and geometric diagnostics, we show that mean initialization collapses all new tokens into a degenerate subspace, erasing inter-token distinctions that subsequent fine-tuning struggles to fully recover. These findings suggest that \emph{token initialization} is a key bottleneck when extending LMs with new vocabularies. Motivated by this diagnosis, we propose the \emph{Grounded Token Initialization Hypothesis}: linguistically grounding novel tokens in the pretrained embedding space before fine-tuning better enables the model to leverage its general-purpose knowledge for novel-token domains. We operationalize this hypothesis as GTI (Grounded Token Initialization), a lightweight grounding stage that, prior to fine-tuning, maps new tokens to distinct, semantically meaningful locations in the pretrained embedding space using only paired linguistic supervision. Despite its simplicity, GTI outperforms both mean initialization and existing auxiliary-task adaptation methods in the majority of evaluation settings across multiple generative recommendation benchmarks, including industry-scale and public datasets. Further analyses show that grounded embeddings produce richer inter-token structure that persists through fine-tuning, corroborating the hypothesis that initialization quality is a key bottleneck in vocabulary extension.
Authors: Alexander Pondaven, Ziyi Wu, Igor Gilitschenski, Philip Torr, Sergey Tulyakov, Fabio Pizzati, Aliaksandr Siarohin
Abstract: Recent advances in video diffusion have enabled the development of "world models" capable of simulating interactive environments. However, these models are largely restricted to single-agent settings, failing to control multiple agents simultaneously in a scene. In this work, we tackle a fundamental issue of action binding in existing video diffusion models, which struggle to associate specific actions with their corresponding subjects. For this purpose, we propose ActionParty, an action controllable multi-subject world model for generative video games. It introduces subject state tokens, i.e. latent variables that persistently capture the state of each subject in the scene. By jointly modeling state tokens and video latents with a spatial biasing mechanism, we disentangle global video frame rendering from individual action-controlled subject updates. We evaluate ActionParty on the Melting Pot benchmark, demonstrating the first video world model capable of controlling up to seven players simultaneously across 46 diverse environments. Our results show significant improvements in action-following accuracy and identity consistency, while enabling robust autoregressive tracking of subjects through complex interactions.
Authors: Jingwei Ji, Renyuan Xu, Ruihao Zhu
Abstract: Motivated by practical considerations in machine learning for financial decision-making, such as risk aversion and large action space, we consider risk-aware bandits optimization with applications in smart order routing (SOR). Specifically, based on preliminary observations of linear price impacts made from the NASDAQ ITCH dataset, we initiate the study of risk-aware linear bandits. In this setting, we aim at minimizing regret, which measures our performance deficit compared to the optimum's, under the mean-variance metric when facing a set of actions whose rewards are linear functions of (initially) unknown parameters. Driven by the variance-minimizing globally-optimal (G-optimal) design, we propose the novel instance-independent Risk-Aware Explore-then-Commit (RISE) algorithm and the instance-dependent Risk-Aware Successive Elimination (RISE++) algorithm. Then, we rigorously analyze their near-optimal regret upper bounds to show that, by leveraging the linear structure, our algorithms can dramatically reduce the regret when compared to existing methods. Finally, we demonstrate the performance of the algorithms by conducting extensive numerical experiments in the SOR setup using both synthetic datasets and the NASDAQ ITCH dataset. Our results reveal that 1) The linear structure assumption can indeed be well supported by the Nasdaq dataset; and more importantly 2) Both RISE and RISE++ can significantly outperform the competing methods, in terms of regret, especially in complex decision-making scenarios.
Authors: Laurent Condat, Ivan Agarsk\'y, Peter Richt\'arik
Abstract: In distributed optimization, a large number of machines alternate between local computations and communication with a coordinating server. Communication, which can be slow and costly, is the main bottleneck in this setting. To reduce this burden and therefore accelerate distributed gradient descent, two strategies are popular: 1) communicate less frequently; that is, perform several iterations of local computations between the communication rounds; and 2) communicate compressed information instead of full-dimensional vectors. We propose CompressedScaffnew, the first algorithm for distributed optimization that jointly harnesses these two strategies and converges linearly to an exact solution in the strongly convex setting, with a doubly accelerated rate: it benefits from the two acceleration mechanisms provided by local training and compression, namely a better dependency on the condition number of the functions and on the dimension of the model, respectively.
Authors: Blanka Horvath, Anastasis Kratsios, Yannick Limmer, Xuwei Yang
Abstract: The use of attention-based deep learning models in stochastic filtering, e.g. transformers and deep Kalman filters, has recently come into focus; however, the potential for these models to solve stochastic filtering problems remains largely unknown. The paper provides an affirmative answer to this open problem in the theoretical foundations of machine learning by showing that a class of continuous-time transformer models, called \textit{filterformers}, can approximately implement the conditional law of a broad class of non-Markovian and conditionally Gaussian signal processes given noisy continuous-time (possibly non-Gaussian) measurements. Our approximation guarantees hold uniformly over sufficiently regular compact subsets of continuous-time paths, where the worst-case 2-Wasserstein distance between the true optimal filter and our deep learning model quantifies the approximation error. Our construction relies on two new customizations of the standard attention mechanism: The first can losslessly adapt to the characteristics of a broad range of paths since we show that the attention mechanism implements bi-Lipschitz embeddings of sufficiently regular sets of paths into low-dimensional Euclidean spaces; thus, it incurs no ``dimension reduction error''. The latter attention mechanism is tailored to the geometry of Gaussian measures in the $2$-Wasserstein space. Our analysis relies on new stability estimates of robust optimal filters in the conditionally Gaussian setting.
Authors: Dmitrii Krylov, Armin Karamzade, Roy Fox
Abstract: Backpropagation's main limitation is its need to store intermediate activations (residuals) during the forward pass, which restricts the depth of trainable networks. This raises a fundamental question: can we avoid storing these activations? We address this by revisiting the structure of gradient computation. Backpropagation computes gradients through a sequence of vector-Jacobian products, an operation that is generally irreversible. The lost information lies in the cokernel of each layer's Jacobian. We define submersive networks -- networks whose layer Jacobians have trivial cokernels -- in which gradients can be reconstructed exactly in a forward sweep without storing activations. For non-submersive layers, we introduce fragmental gradient checkpointing, which records only the minimal subset of residuals necessary to restore the cotangents erased by the Jacobian. Central to our approach is a novel operator, the vector-inverse-Jacobian product (vijp), which inverts gradient flow outside the cokernel. Our mixed-mode algorithm first computes input gradients with a memory-efficient reverse pass, then reconstructs parameter gradients in a forward sweep using the vijp, eliminating the need to store activations. We implement this method in Moonwalk and show that it matches backpropagation's runtime while training networks more than twice as deep under the same memory budget.
Authors: Davide Frizzo, Francesco Borsatti, Alessio Arcudi, Antonio De Moliner, Roberto Oboe, Gian Antonio Susto
Abstract: Anomaly Detection (AD) is crucial in industrial settings to streamline operations by detecting underlying issues. Conventional methods merely label observations as normal or anomalous, lacking crucial insights. In Industry 5.0, interpretable outcomes become desirable to enable users to understand the rational under model decisions. This paper presents the first industrial application of ExIFFI, a recent approach for fast, efficient explanations for the Extended Isolation Forest (EIF) AD method. ExIFFI is tested on four industrial datasets, demonstrating superior explanation effectiveness, computational efficiency and improved raw anomaly detection performances. ExIFFI reaches over then 90\% of average precision on all the benchmarks considered in the study and overperforms state-of-the-art Explainable Artificial Intelligence (XAI) approaches in terms of the feature selection proxy task metric which was specifically introduced to quantitatively evaluate model explanations.
Authors: Pengyun Wang, Junyu Luo, Yanxin Shen, Ming Zhang, Shaoen Qin, Hanwen Xing, Siyu Heng, Xiao Luo
Abstract: Graph pooling has gained attention for its ability to obtain effective node and graph representations for various downstream tasks. Despite the recent surge in graph pooling approaches, there is a lack of standardized experimental settings and fair benchmarks to evaluate their performance. To address this issue, we have constructed a comprehensive benchmark that includes 17 graph pooling methods and 28 different graph datasets. This benchmark systematically assesses the performance of graph pooling methods in three dimensions, i.e., effectiveness, robustness, and generalizability. We first evaluate the performance of these graph pooling approaches across different tasks including graph classification, graph regression and node classification. Then, we investigate their performance under potential noise attacks and out-of-distribution shifts in real-world scenarios. We also involve detailed efficiency analysis, backbone analysis, parameter analysis and visualization to provide more evidence. Extensive experiments validate the strong capability and applicability of graph pooling approaches in various scenarios, which can provide valuable insights and guidance for deep geometric learning research. The source code of our benchmark is available at https://github.com/goose315/Graph_Pooling_Benchmark.
Authors: Bowen Wei, Ziwei Zhu
Abstract: We introduce the Rule Network with Selective Logical Operators (RNS), a novel neural architecture that employs \textbf{selective logical operators} to adaptively choose between AND and OR operations at each neuron during training. Unlike existing approaches that rely on fixed architectural designs with predetermined logical operations, our selective logical operators treat weight parameters as hard selectors, enabling the network to automatically discover optimal logical structures while learning rules. The core innovation lies in our \textbf{selective logical operators} implemented through specialized Logic Selection Layers (LSLs) with adaptable AND/OR neurons, a Negation Layer for input negations, and a Heterogeneous Connection Constraint (HCC) to streamline neuron connections. We demonstrate that this selective logical operator framework can be effectively optimized using adaptive gradient updates with the Straight-Through Estimator to overcome gradient vanishing challenges. Through extensive experiments on 13 datasets, RNS demonstrates superior classification performance, rule quality, and efficiency compared to 25 state-of-the-art alternatives, showcasing the power of RNS in rule learning. Code and data are available at https://anonymous.4open.science/r/RNS_-3DDD.
Authors: Hrayr Harutyunyan, Rafayel Darbinyan, Samvel Karapetyan, Hrant Khachatrian
Abstract: Large language models exhibit a remarkable capacity for in-context learning, where they learn to solve tasks given a few examples. Recent work has shown that transformers can be trained to perform simple regression tasks in-context. This work explores the possibility of training an in-context learner for classification tasks involving spurious features. We find that the conventional approach of training in-context learners is susceptible to spurious features. Moreover, when the meta-training dataset includes instances of only one task, the conventional approach leads to task memorization and fails to produce a model that leverages context for predictions. Based on these observations, we propose a novel technique to train such a learner for a given classification task. Remarkably, this in-context learner matches and sometimes outperforms strong methods like ERM and GroupDRO. However, unlike these algorithms, it does not generalize well to other tasks. We show that it is possible to obtain an in-context learner that generalizes to unseen tasks by training on a diverse dataset of synthetic in-context learning instances.
Authors: Edward Chen, Natalie Dullerud, Thomas Niedermayr, Elizabeth Kidd, Ransalu Senanayake, Pang Wei Koh, Sanmi Koyejo, Carlos Guestrin
Abstract: Countless science and engineering applications in multi-objective optimization (MOO) necessitate that decision-makers (DMs) select a Pareto-optimal (PO) solution which aligns with their preferences. Evaluating individual solutions is often expensive, and the high-dimensional trade-off space makes exhaustive exploration of the full Pareto frontier (PF) infeasible. We introduce a novel, principled two-step process for obtaining a compact set of PO points that aligns with user preferences, which are specified a priori as general monotonic utility functions (MFs). Our process (1) densely samples the user's region of interest on the PF, then (2) sparsifies the results into a small, diverse set for the DM. We instantiate this framework with soft-hard functions (SHFs), an intuitive class of MFs that operationalizes the common expert heuristic of imposing soft and hard bounds. We provide extensive empirical validation of our framework instantiated with SHFs on diverse domains, including brachytherapy, engineering design, and large language models. For brachytherapy, our approach returns a compact set of points with over 3% greater SHF-defined utility than the next best approach. Among the other domains, our approach consistently leads in utility, as a final compact set of just 5 points captures over 99% of the utility offered by the entire dense set.
Authors: Qianying Cao, Shanqing Liu, Alan John Varghese, Jerome Darbon, Michael Triantafyllou, George Em Karniadakis
Abstract: Time series forecasting plays a pivotal role in a wide range of applications, including weather prediction, healthcare, structural health monitoring, predictive maintenance, energy systems, and financial markets. While models such as LSTM, GRU, Transformers, and State-Space Models (SSMs) have become standard tools in this domain, selecting the optimal architecture remains a challenge. Performance comparisons often depend on evaluation metrics and the datasets under analysis, making the choice of a universally optimal model controversial. In this work, we introduce a flexible automated framework for time series forecasting that systematically designs and evaluates diverse network architectures by integrating LSTM, GRU, multi-head Attention, and SSM blocks. Using a multi-objective optimization approach, our framework determines the number, sequence, and combination of blocks to align with specific requirements and evaluation objectives. From the resulting Pareto-optimal architectures, the best model for a given context is selected via a user-defined preference function. We validate our framework across four distinct real-world applications. Results show that a single-layer GRU or LSTM is usually optimal when minimizing training time alone. However, when maximizing accuracy or balancing multiple objectives, the best architectures are often composite designs incorporating multiple block types in specific configurations. By employing a weighted preference function, users can resolve trade-offs between objectives, revealing novel, context-specific optimal architectures. Our findings underscore that no single neural architecture is universally optimal for time series forecasting. Instead, the best-performing model emerges as a data-driven composite architecture tailored to user-defined criteria and evaluation objectives.
Authors: Chen Yang, Zheng Cui, Daniel Zhuoyu Long, Jin Qi, Ruohan Zhan
Abstract: Classification models play a central role in data-driven decision-making applications such as medical diagnosis, recommendation systems, and risk assessment. Traditional performance metrics, such as accuracy and AUC, focus on overall error rates but fail to account for the confidence of incorrect predictions, i.e., the risk of confident misjudgments. This limitation is particularly consequential in safety-critical and cost-sensitive settings, where overconfident errors can lead to severe outcomes. To address this issue, we propose the Fragility Index (FI), a novel performance metric that evaluates classifiers from a risk-averse perspective by capturing the tail risk of confident misjudgments. We formulate FI within a robust satisficing (RS) framework to ensure robustness under distributional uncertainty. Building on this, we develop a tractable training framework that directly targets FI via a surrogate loss, and show that models trained under this framework admit provable bounds on FI. We further derive exact reformulations for a broad class of loss functions, including cross-entropy, hinge-type, and Lipschitz losses, and extend the approach to deep neural networks. Empirical results on real-world medical diagnosis tasks demonstrate that FI complements existing metrics by revealing error tail risk and improving decision quality. FI-based models achieve competitive accuracy and AUC while consistently reducing confident misjudgments and associated operational costs, offering a practical tool for improving robustness and reliability in risk-critical applications.
Authors: Alexis Chevalier, Soumya Ghosh, Urvi Awasthi, James Watkins, Julia Bieniewska, Nichita Mitrea, Olga Kotova, Kirill Shkura, Andrew Noble, Michael Steinbaugh, Vijay Sadashivaiah, George Dasoulas, Julien Delile, Christoph Meier, Leonid Zhukov, Iya Khalil, Srayanta Mukherjee, Judith Mueller
Abstract: Understanding the biological mechanisms of disease is crucial for medicine, and in particular, for drug discovery. AI-powered analysis of genome-scale biological data holds great potential in this regard. The increasing availability of single-cell RNA sequencing data has enabled the development of large foundation models for disease biology. However, existing foundation models only modestly improve over task-specific models in downstream applications. Here, we explored two avenues for improving single-cell foundation models. First, we scaled the pre-training data to a diverse collection of 116 million cells, which is larger than those used by previous models. Second, we leveraged the availability of large-scale biological annotations as a form of supervision during pre-training. We trained the \model family of models comprising six transformer-based state-of-the-art single-cell foundation models with 70 million, 160 million, and 400 million parameters. We vetted our models on several downstream evaluation tasks, including identifying the underlying disease state of held-out donors not seen during training, distinguishing between diseased and healthy cells for disease conditions and donors not seen during training, and probing the learned representations for known biology. Our models showed substantial improvement over existing works, and scaling experiments showed that performance improved predictably with both data volume and parameter count.
Authors: Laurens R. Lueg, Victor Alves, Daniel Schicksnus, John R. Kitchin, Carl D. Laird, Lorenz T. Biegler
Abstract: Scientific machine learning is an emerging field that broadly describes the combination of scientific computing and machine learning to address challenges in science and engineering. Within the context of differential equations, this has produced highly influential methods, such as neural ordinary differential equations (NODEs). Recent works extend this line of research to consider neural differential-algebraic systems of equations (DAEs), where some unknown relationships within the DAE are learned from data. Training neural DAEs, similarly to neural ODEs, is computationally expensive, as it requires the solution of a DAE for every parameter update. Further, the rigorous consideration of algebraic constraints is difficult within common deep learning training algorithms such as stochastic gradient descent. In this work, we apply the simultaneous approach to neural DAE problems, resulting in a fully discretized nonlinear optimization problem, which is solved to local optimality and simultaneously obtains the neural network parameters and the solution to the corresponding DAE. We extend recent work demonstrating the simultaneous approach for neural ODEs, by presenting a general framework to solve neural DAEs, with explicit consideration of hybrid models, where some components of the DAE are known, e.g. physics-informed constraints. Furthermore, we present a general strategy for improving the performance and convergence of the nonlinear programming solver, based on solving an auxiliary problem for initialization and approximating Hessian terms. We achieve promising results in terms of accuracy, model generalizability and computational cost, across different problem settings such as sparse data, unobserved states and multiple trajectories. Lastly, we provide several promising future directions to improve the scalability and robustness of our approach.
Authors: Emanuele Francazi, Francesco Pinto, Aurelien Lucchi, Marco Baity-Jesi
Abstract: Normalization layers were introduced to stabilize and accelerate training, yet their influence is critical already at initialization, where they shape signal propagation and output statistics before parameters adapt to data. In practice, both which normalization to use and where to place it are often chosen heuristically, despite the fact that these decisions can qualitatively alter a model's behavior. We provide a theoretical characterization of how normalization choice and placement (Pre-Norm vs. Post-Norm) determine the distribution of class predictions at initialization, ranging from unbiased (Neutral) to highly concentrated (Prejudiced) regimes. We show that these architectural decisions induce systematic shifts in the initial prediction regime, thereby modulating subsequent learning dynamics. By linking normalization design directly to prediction statistics at initialization, our results offer principled guidance for more controlled and interpretable network design, including clarifying how widely used choices such as BatchNorm vs. LayerNorm and Pre-Norm vs. Post-Norm shape behavior from the outset of training.
Authors: Jinbo Wang, Mingze Wang, Jiaqi Zhang, Wei Wang, Peng Pei, Xunliang Cai, Weinan E, Lei Wu
Abstract: We propose GradPower, a lightweight gradient-transformation technique for accelerating language model pre-training. Given a gradient vector $g=(g_i)_i$, GradPower first applies the elementwise sign-power transformation: $\varphi_p(g)=({\rm sign}(g_i)|g_i|^p)_{i}$ for a fixed $p>0$, and then feeds the transformed gradient into a base optimizer. Notably, GradPower requires only a single-line code change and no modifications to the base optimizer's internal logic, including the hyperparameters. When applied to Adam (termed AdamPower), GradPower consistently achieves lower terminal loss across diverse architectures (LLaMA, Qwen2MoE), parameter scales (66M to 2B), datasets (C4, OpenWebText), and learning-rate schedules (cosine, warmup-stable-decay). The most pronounced gains are observed when training modern mixture-of-experts models with warmup-stable-decay schedules. GradPower also integrates seamlessly with other state-of-the-art optimizers, such as Muon, yielding further improvements. Finally, we provide theoretical analyses that reveal the underlying mechanism of GradPower and highlight the influence of gradient noise.
Authors: S. R. Eshwar, Gugan Thoppe, Ananyabrata Barua, Aditya Gopalan, Gal Dalal
Abstract: We introduce Reliable Policy Iteration (RPI) and Conservative RPI (CRPI), variants of Policy Iteration (PI) and Conservative PI (CPI), that retain tabular guarantees under function approximation. RPI uses a novel Bellman-constrained optimization for policy evaluation. We show that RPI restores the textbook \textit{monotonicity} of value estimates and that these estimates provably \textit{lower-bound} the true return; moreover, their limit partially satisfies the \textit{unprojected} Bellman equation. CRPI shares RPI's evaluation, but updates policies conservatively by maximizing a new performance-difference \textit{lower bound} that explicitly accounts for function-approximation-induced errors. CRPI inherits RPI's guarantees and, crucially, admits per-step improvement bounds. In initial simulations, RPI and CRPI outperform PI and its variants. Our work addresses a foundational gap in RL: popular algorithms such as TRPO and PPO derive from tabular CPI yet are deployed with function approximation, where CPI's guarantees often fail-leading to divergence, oscillations, or convergence to suboptimal policies. By restoring PI/CPI-style guarantees for \textit{arbitrary} function classes, RPI and CRPI provide a principled basis for next-generation RL.
Authors: Jacob Piland, Chris Sweet, Adam Czajka
Abstract: Class Activation Mapping (CAM) and its gradient-based variants (e.g., GradCAM) have become standard tools for explaining Convolutional Neural Network (CNN) predictions. However, these approaches typically focus on individual logits, while for neural networks using softmax, the class membership probability estimates depend \textit{only} on the \textit{differences} between logits, not on their absolute values. This disconnect leaves standard CAMs vulnerable to adversarial manipulation, such as passive fooling, where a model is trained to produce misleading CAMs without affecting decision performance. We introduce \textbf{Salience-Hoax Activation Maps (SHAMs)}, an \emph{entropy-aware form of passive fooling} that serves as a benchmark for CAM robustness under adversarial conditions. To address the passive fooling vulnerability, we then propose \textbf{DiffGradCAM}, a novel, lightweight, and contrastive approach to class activation mapping that is both non-suceptible to passive fooling, but also matches the output of standard CAM methods such as GradCAM in the non-adversarial case. Together, SHAM and DiffGradCAM establish a new framework for probing and improving the robustness of saliency-based explanations. We validate both contributions across multi-class tasks with few and many classes.
Authors: Roy Rinberg, Ilia Shumailov, Vikrant Singhal, Rachel Cummings, Nicolas Papernot
Abstract: Differential privacy (DP) is obtained by randomizing a data analysis algorithm, which necessarily introduces a tradeoff between its utility and privacy. Many DP mechanisms are built upon one of two underlying tools: Laplace and Gaussian additive noise mechanisms. We expand the search space of algorithms by investigating the Generalized Gaussian (GG) mechanism, which samples the additive noise term $x$ with probability proportional to $e^{-\frac{| x |}{\sigma}^{\beta} }$ for some $\beta \geq 1$ (denoted $GG_{\beta, \sigma}(f,D)$). The Laplace and Gaussian mechanisms are special cases of GG for $\beta=1$ and $\beta=2$, respectively. We prove that the full GG family satisfies differential privacy and extend the PRV accountant to support privacy loss computation for these mechanisms. We then instantiate the GG mechanism in two canonical private learning pipelines, PATE and DP-SGD. Empirically, we explore PATE and DP-SGD with the GG mechanism across the computationally feasible values of $\beta$: $\beta \in [1,2]$ for DP-SGD and $\beta \in [1,4]$ for PATE. For both mechanisms, we find that $\beta=2$ (Gaussian) performs as well as or better than other values in their computational tractable domains.This provides justification for the widespread adoption of the Gaussian mechanism in DP learning.
Authors: Ziyang Zhang, Feifan Zhang, Weidong Tang, Lei Shi, Tailai Chen
Abstract: Nonlinear partial differential equations (PDEs) are pivotal in modeling complex physical systems, yet traditional Physics-Informed Neural Networks (PINNs) often struggle with unresolved residuals in critical spatiotemporal regions and violations of temporal causality. To address these limitations, we propose a novel Residual Guided Training strategy for Physics-Informed Transformer via Generative Adversarial Networks (GAN). Our framework integrates a decoder-only Transformer to inherently capture temporal correlations through autoregressive processing, coupled with a residual-aware GAN that dynamically identifies and prioritizes high-residual regions. By introducing a causal penalty term and an adaptive sampling mechanism, the method enforces temporal causality while refining accuracy in problematic domains. Extensive numerical experiments on the Allen-Cahn, Klein-Gordon, and Navier-Stokes equations demonstrate significant improvements, achieving relative MSE reductions of up to three orders of magnitude compared to baseline methods. This work bridges the gap between deep learning and physics-driven modeling, offering a robust solution for multiscale and time-dependent PDE systems.
Authors: Liyi Zhang, Jake Snell, Thomas L. Griffiths
Abstract: Fine-tuning large language models (LLMs) with low-rank adaptation (LoRA) is a cost-effective way to incorporate information from a specific dataset. However, when a problem requires incorporating information from multiple datasets - as in few shot learning - generalization across datasets can be limited, driving up training costs. As a consequence, other approaches such as in-context learning are typically used in this setting. To address this challenge, we introduce an efficient method for adapting the weights of LLMs to multiple distributions, Amortized Bayesian Meta-Learning for LoRA (ABMLL). This method builds on amortized Bayesian meta-learning for smaller models, adapting this approach to LLMs by reframing where local and global variables are defined in LoRA and using a new hyperparameter to balance reconstruction accuracy and the fidelity of task-specific parameters to the global ones. ABMLL supports effective generalization across datasets and scales to large models such as Llama3-8B and Qwen2-7B, outperforming existing methods on the CrossFit and Unified-QA datasets in terms of both accuracy and expected calibration error. We show that meta-learning can also be combined with in-context learning, resulting in further improvements in both these datasets and legal and chemistry applications.
Authors: YongKyung Oh, Dong-Young Lim, Sungil Kim, Alex Bui
Abstract: Handling missing data in time series classification remains a significant challenge in various domains. Traditional methods often rely on imputation, which may introduce bias or fail to capture the underlying temporal dynamics. In this paper, we propose TANDEM (Temporal Attention-guided Neural Differential Equations for Missingness), an attention-guided neural differential equation framework that effectively classifies time series data with missing values. Our approach integrates raw observation, interpolated control path, and continuous latent dynamics through a novel attention mechanism, allowing the model to focus on the most informative aspects of the data. We evaluate TANDEM on 30 benchmark datasets and a real-world medical dataset, demonstrating its superiority over existing state-of-the-art methods. Our framework not only improves classification accuracy but also provides insights into the handling of missing data, making it a valuable tool in practice.
Authors: YongKyung Oh, Seungsu Kam, Dong-Young Lim, Sungil Kim
Abstract: Astronomical time series from large-scale surveys like LSST are often irregularly sampled and incomplete, posing challenges for classification and anomaly detection. We introduce a new framework based on Neural Stochastic Delay Differential Equations (Neural SDDEs) that combines stochastic modeling with neural networks to capture delayed temporal dynamics and handle irregular observations. Our approach integrates a delay-aware neural architecture, a numerical solver for SDDEs, and mechanisms to robustly learn from noisy, sparse sequences. Experiments on irregularly sampled astronomical data demonstrate strong classification accuracy and effective detection of novel astrophysical events, even with partial labels. This work highlights Neural SDDEs as a principled and practical tool for time series analysis under observational constraints.
Authors: Sima Najafzadehkhoei, George Vega Yon, Derek S. Meyer, Bernardo Modenesi
Abstract: Agent-based models (ABMs) are widely used to study infectious disease dynamics, but their calibration is often computationally intensive, limiting their applicability in time-sensitive public health settings. We propose DeepIMC (Deep Inverse Mapping Calibration), a machine learning-based calibration framework that directly learns the inverse mapping from epidemic time series to epidemiological parameters. DeepIMC trains a bidirectional Long Short-Term Memory (BiLSTM) neural network on synthetic epidemic trajectories generated from agent-based models such as the Susceptible-Infected-Recovered (SIR) model, enabling rapid parameter estimation without repeated simulation at inference time. We evaluate DeepIMC through an extensive simulation study comprising 5,000 heterogeneous epidemic scenarios and benchmark its performance against Approximate Bayesian Computation (ABC) using likelihood-free Markov Chain Monte Carlo. The results show that DeepIMC substantially improves parameter recovery accuracy, produces sharp and well-calibrated predictive intervals, and reduces computational time by more than an order of magnitude relative to ABC. Although structural parameter identifiability constraints limit the precise recovery of all model parameters simultaneously, the calibrated models reliably reproduce epidemic trajectories and support accurate forward prediction with their estimated parameters. DeepIMC is implemented in the open-source R package epiworldRCalibrate, facilitating practical adoption for real-time epidemic modeling and policy analysis. Overall, our findings demonstrate that DeepIMC provides a scalable, operationally effective alternative to traditional simulation-based calibration methods for agent-based epidemic models.
Authors: Evgeny Alves Limarenko, Anastasiia Studenikina, Svetlana Illarionova, Maxim Sharaev
Abstract: In multi-task learning (MTL), gradient conflict poses a significant challenge. Effective methods for addressing this problem, including PCGrad, CAGrad, and GradNorm, in their original implementations are computationally demanding, which significantly limits their application in modern large models such as transformers. We propose Gradient Conductor (GCond), a method that builds upon PCGrad principles by combining them with gradient accumulation and an adaptive arbitration mechanism. We evaluated GCond on self-supervised multi-task learning tasks using MobileNetV3-Small and ConvNeXt architectures on the ImageNet 1K dataset and a combined head and neck CT scan dataset, comparing the proposed method against baseline linear combinations and state-of-the-art gradient conflict resolution methods. The classical and stochastic approaches of GCond were analyzed. The stochastic mode of GCond achieved a two-fold computational speedup while maintaining optimization quality, and demonstrated superior performance across all evaluated metrics, achieving lower L1 and SSIM losses compared to other methods on both datasets, and demonstrating superior generalization in heterogeneous scenarios: GCond improved ImageNet Top-1 Accuracy by 4.5% over baselines and prevented confidence overfitting in medical diagnosis tasks. GCond exhibited high scalability, being successfully applied to both compact models: MobileNetV3-Small and ConvNeXt-tiny; and large architecture ConvNeXtV2-Base. It also showed compatibility with modern optimizers such as AdamW and Lion/LARS. Therefore, GCond offers a scalable and efficient solution to the problem of gradient conflicts in multi-task learning.
Authors: Haocheng Luo, Mehrtash Harandi, Dinh Phung, Trung Le
Abstract: Sharpness-aware minimization (SAM) has emerged as a highly effective technique to improve model generalization, but its underlying principles are not fully understood. We investigate m-sharpness, where SAM performance improves monotonically as the micro-batch size for computing perturbations decreases, a phenomenon critical for distributed training yet lacking rigorous explanation. We leverage an extended Stochastic Differential Equation (SDE) framework and analyze stochastic gradient noise (SGN) to characterize the dynamics of SAM variants, including n-SAM and m-SAM. Our analysis reveals that stochastic perturbations induce an implicit variance-based sharpness regularization whose strength increases as m decreases. Motivated by this insight, we propose Reweighted SAM (RW-SAM), which employs sharpness-weighted sampling to mimic the generalization benefits of m-SAM while remaining parallelizable. Comprehensive experiments validate our theory and method.Code is available at https://github.com/RitianLuo/RW-SAM.
Authors: Zhizhong Li, Sina Sajadmanesh, Jingtao Li, Lingjuan Lyu
Abstract: Low-rank adaptation (LoRA) has been widely adopted as a parameter-efficient technique for fine-tuning large-scale pre-trained models. However, it still lags behind full fine-tuning in performance, partly due to its insufficient exploitation of the geometric structure underlying low-rank manifolds. In this paper, we propose a geometry-aware extension of LoRA that uses a three-factor decomposition $U\!SV^\top$. Analogous to the structure of singular value decomposition (SVD), it separates the adapter's input and output subspaces, $V$ and $U$, from the scaling factor $S$. Our method constrains $U$ and $V$ to lie on the Stiefel manifold, ensuring their orthonormality throughout the training. To optimize on the Stiefel manifold, we employ a flexible and modular geometric optimization design that converts any Euclidean optimizer to a Riemannian one. It enables efficient subspace learning while remaining compatible with existing fine-tuning pipelines. Empirical results across a wide range of downstream tasks, including commonsense reasoning, math and code generation, image classification, and image generation, demonstrate the superior performance of our approach against the recent state-of-the-art variants of LoRA. Code is available at https://github.com/SonyResearch/stella.
Authors: Waleed Bin Qaim, Aleksandr Ometov, Claudia Campolo, Antonella Molinaro, Elena Simona Lohan, Jari Nurmi
Abstract: Over the years, significant contributions have been made by the research and industrial sectors to improve wearable devices towards the Internet of Wearable Things (IoWT) paradigm. However, wearables are still facing several challenges. Many stem from the limited battery power and insufficient computation resources available on wearable devices. On the other hand, with the popularity of smart wearables, there is a consistent increase in the development of new computationally intensive and latency-critical applications. In such a context, task offloading allows wearables to leverage the resources available on nearby edge devices to enhance the overall user experience. This paper proposes a framework for Reinforcement Learning (RL)-based task offloading in the IoWT. We formulate the task offloading process considering the tradeoff between energy consumption and task accomplishment time. Moreover, we model the task offloading problem as a Markov Decision Process (MDP) and utilize the Q-learning technique to enable the wearable device to make optimal task offloading decisions without prior knowledge. We evaluate the performance of the proposed framework through extensive simulations for various applications and system configurations conducted in the ns-3 network simulator. We also show how varying the main system parameters of the Q-learning algorithm affects the overall performance in terms of average task accomplishment time, average energy consumption, and percentage of tasks offloaded.
Authors: Abigail J. Hayes, Tobias Schumacher, Markus Strohmaier
Abstract: Learning on temporal graphs has become a central topic in graph representation learning, with numerous benchmarks indicating the strong performance of state-of-the-art models. However, recent work has raised concerns about the reliability of benchmark results, noting issues with commonly used evaluation protocols and the surprising competitiveness of simple heuristics. This contrast raises the question of which characteristics of the underlying graphs temporal graph learning models actually use to form their predictions. We address this by systematically evaluating eight models on their ability to capture eight fundamental characteristics related to the link structure of temporal graphs. These include structural characteristics such as density, temporal patterns such as recency, and edge formation mechanisms such as homophily. Using both synthetic and real-world datasets, we analyze how well models learn these characteristics. Our findings reveal a mixed picture: models capture some characteristics well but fail to reproduce others. With this, we expose important limitations. Overall, we believe that our results provide practical insights for the application of temporal graph learning models and motivate more interpretability-driven evaluations in graph learning research.
Authors: Eliezer da Silva, Arto Klami, Diego Mesquita, I\~nigo Urteaga
Abstract: Selecting the latent dimensions (ranks) in tensor factorization is a central challenge that often relies on heuristic methods. This paper introduces a rigorous approach to determine rank identifiability in probabilistic tensor models, based on prior predictive moment matching. We transform a set of moment matching conditions into a log-linear system of equations in terms of marginal moments, prior hyperparameters, and ranks; establishing an equivalence between rank identifiability and the solvability of such system. We apply this framework to four foundational tensor-models, demonstrating that the linear structure of the PARAFAC/CP model, the chain structure of the Tensor Train model, and the closed-loop structure of the Tensor Ring model yield solvable systems, making their ranks identifiable. In contrast, we prove that the symmetric topology of the Tucker model leads to an underdetermined system, rendering the ranks unidentifiable by this method. For the identifiable models, we derive explicit closed-form rank estimators based on the moments of observed data only. We empirically validate these estimators and evaluate the robustness of the proposal.
Authors: Sibo Xiao
Abstract: We introduce the Strategic Doubly Robust (SDR) estimator, a novel framework that integrates strategic equilibrium modeling with doubly robust estimation for causal inference in strategic environments. SDR addresses endogenous treatment assignment arising from strategic agent behavior, maintaining double robustness while incorporating strategic considerations. Theoretical analysis confirms SDR's consistency and asymptotic normality under strategic unconfoundedness. Empirical evaluations demonstrate SDR's superior performance over baseline methods, achieving 7.6\%-29.3\% bias reduction across varying strategic strengths and maintaining robust scalability with agent populations. The framework provides a principled approach for reliable causal inference when agents respond strategically to interventions.
Authors: Avrim Blum, Daniel Hsu, Cyrus Rashtchian, Donya Saless
Abstract: Test-time augmentation, such as Retrieval-Augmented Generation (RAG) or tool use, critically depends on an interplay between a model's parametric knowledge and externally retrieved information. However, the theoretical underpinnings of this relationship remain poorly understood. Specifically, it is not clear how much pre-training knowledge is required to answer queries with a small number of augmentation steps, which is a desirable property in practice. To address this question, we formulate multi-step reasoning as an $s$-$t$ connectivity problem on a knowledge graph. We represent a model's pre-training parametric knowledge as a partial, potentially noisy subgraph. We view augmentation as querying an oracle for true edges that augment the model's knowledge. Then, we characterize the necessary and sufficient number of augmentation steps for the model to generate an accurate answer given partial prior knowledge. One key result shows a phase transition: if the prior knowledge graph over $n$ vertices is disconnected into small components, then finding a path via augmentation is inefficient and requires $\Omega(\sqrt{n})$ queries. On the other hand, once the density of correct knowledge surpasses a threshold, forming a giant component, we can find paths with an expected constant number of queries.
Authors: Jaihoon Kim, Rajarshi Saha, Minhyuk Sung, Youngsuk Park
Abstract: Flow Matching (FM) underpins many state-of-the-art generative models, yet recent results indicate that Transition Matching (TM) can achieve higher quality with fewer sampling steps. This work answers the question of when and why TM outperforms FM. First, when the target is a unimodal Gaussian distribution, we prove that TM attains strictly lower KL divergence than FM for finite number of steps. The improvement arises from stochastic difference latent updates in TM, which preserve target covariance that deterministic FM underestimates. We then characterize convergence rates, showing that TM achieves faster convergence than FM under a fixed compute budget, establishing its advantage in the unimodal Gaussian setting. Second, we extend the analysis to Gaussian mixtures and identify local-unimodality regimes in which the sampling dynamics approximate the unimodal case, where TM can outperform FM. The approximation error decreases as the minimal distance between component means increases, highlighting that TM is favored when the modes are well separated. However, when the target variance approaches zero, each TM update converges to the FM update, and the performance advantage of TM diminishes. In summary, we show that TM outperforms FM when the target distribution has well-separated modes and non-negligible variances. We validate our theoretical results with controlled experiments on Gaussian distributions, and extend the comparison to real-world applications in image and video generation.
Authors: Christopher Ratigan, Kyle Heuton, Carissa Wang, Lenore Cowen, Michael C. Hughes
Abstract: The ROC curve is widely used to assess binary classifiers. Yet for some applications, such as alert systems for monitoring hospitalized patients, conventional ROC analysis cannot meet two key deployment needs: enforcing a constraint on precision to avoid false alarm fatigue and imposing an upper bound on the number of predicted positives to represent the capacity of hospital staff. The usual area under the curve metric also does not reflect asymmetric costs for false positives and false negatives. In this paper we address all three of these issues. First, we show how the subset of classifiers that meet precision and capacity constraints occupy a feasible region in ROC space. We establish the polygon-shaped geometry of this region. We then define the partial area of lesser classifiers, a performance metric that is monotonic with cost and only accounts for the feasible region. Averaging this area over a desired distribution for cost parameters results in the partial volume over the ROC surface, or partial VOROS. In experiments predicting mortality risk from vital sign history on several datasets, we show this cost-aware metric can outperform alternatives at ranking classifiers for in-hospital alerts.
Authors: Hojin Kim, Romit Maulik
Abstract: We present a framework that leverages the Discrete Empirical Interpolation Method (DEIM) for interpretable deep learning and dynamical system analysis. Although DEIM efficiently approximates nonlinear terms in projection-based reduced-order models (POD-ROM), its fixed interpolation points are repurposed for identifying dynamically representative spatial structures in learned models. We apply DEIM as an interpretability tool to examine the learned dynamics of a pre-trained Neural Ordinary Differential Equation (NODE) for two-dimensional vortex-merging and backward-facing step flows. DEIM trajectories reveal physically meaningful structures in NODE predictions and expose failure modes when extrapolating to unseen flow configurations. Building on this diagnostic capability, we further introduce a DEIM-guided data assimilation strategy that injects sparse, dynamically representative corrections into the NODE rollout. By allocating a limited nudging budget to DEIM-identified sampling locations, the framework significantly improves long-term stability and predictive accuracy in out-of-distribution scenarios for the two-dimensional vortex-merging flow. Additional experiments for a flow over a backward-facing step reveal regime-dependent gains, with alternative sampling strategies performing competitively as well. These results demonstrate that DEIM can serve as an interpretable diagnostic and control framework for understanding and enhancing neural differential equation models.
Authors: Yugong Zeng, Jiayuan Wang, Jonathan Wu
Abstract: Precipitation prediction has undergone a profound transformation. A notable limitation of traditional NWP is the need for extensive statistical post-processing. To address this challenge, neural network-based approaches were developed. These approaches offer a framework that directly learns the mapping from atmospheric predictors to precipitation targets. Based on the technological development, this article first reviews the traditional precipitation forecasting methods and summarizes the development trends of precipitation forecasting based on neural networks. We then outline the training process, loss functions, and some datasets for precipitation prediction. In the main body of the article, we detail the basic artificial neural networks (ANNs), spatial feature extraction models, time feature extraction models, generative models, Transformer models, graph neural networks (GNNs), and emerging hybrid models. Finally, in the appendix, we supplement the commonly used evaluation metrics. This paper focuses on the advantages and disadvantages of various neural network models in precipitation forecasting applications, and also pays attention to the latest progress of neural network-based methods. Overall, neural networks have significantly improved the accuracy of short-term and medium-term precipitation forecasting, but still face challenges in representing extreme rainfall, handling imbalanced data, and ensuring physical consistency. The latest progress shows that future prediction systems will increasingly rely on the integration of multiple sources of data and hybrid physical-data-driven models to enhance their robustness and applicability. By compositing research covering multiple eras and paradigms, we not only depict the history of neural networks in precipitation prediction but also outline future directions in next generation forecasting systems.
Authors: Yuen Chen, Yulun Wu, Samuel Sharpe, Igor Melnyk, Nam H. Nguyen, Furong Huang, C. Bayan Bruss, Rizal Fathony
Abstract: Many real-world prediction tasks, particularly those involving entities such as customers or patients, involve both {sequential} and {relational} data. Each entity maintains its own sequence of events while simultaneously engaging in relationships with others. Existing methods in sequence and graph modeling often overlook one modality in favor of the other. We argue that these two facets should instead be integrated and learned jointly. We introduce BRIDGE, a unified end-to-end architecture that couples a sequence model with a graph module under a single objective, allowing gradients to flow across both components to learn task-aligned representations. To enable fine-grained interaction, we propose TOKENXATTN, a token-level cross-attention layer that facilitates message passing between specific events in neighboring sequences. Across two settings, relationship prediction and fraud detection, BRIDGE consistently outperforms static graph models, temporal graph methods, as well as sequence-only baselines on both ranking and classification metrics.
Authors: Weimin Huang, Ryan Piansky, Bistra Dilkina, Daniel K. Molzahn
Abstract: To mitigate acute wildfire ignition risks, utilities de-energize power lines in high-risk areas. The Optimal Power Shutoff (OPS) problem optimizes line energization statuses to manage wildfire ignition risks through de-energizations while reducing load shedding. OPS problems are computationally challenging Mixed-Integer Linear Programs (MILPs) that must be solved rapidly and frequently in operational settings. For a particular power system, OPS instances share a common structure with varying parameters related to wildfire risks, loads, and renewable generation. This motivates the use of Machine Learning (ML) for solving OPS problems by exploiting shared patterns across instances. In this paper, we develop an ML-guided framework that quickly produces high-quality de-energization decisions by extending existing ML-guided MILP solution methods while integrating domain knowledge on the number of energized and de-energized lines. Results on a large-scale realistic California-based synthetic test system show that the proposed ML-guided method produces high-quality solutions faster than traditional optimization methods.
Authors: Paul Strang, Zacharie Al\`es, C\^ome Bissuel, Olivier Juan, Safia Kedad-Sidhoum, Emmanuel Rachelson
Abstract: Mixed-Integer Linear Programming (MILP) lies at the core of many real-world combinatorial optimization (CO) problems, traditionally solved by branch-and-bound (B&B). A key driver influencing B&B solvers efficiency is the variable selection heuristic that guides branching decisions. Looking to move beyond static, hand-crafted heuristics, recent work has explored adapting traditional reinforcement learning (RL) algorithms to the B&B setting, aiming to learn branching strategies tailored to specific MILP distributions. In parallel, RL agents have achieved remarkable success in board games, a very specific type of combinatorial problems, by leveraging environment simulators to plan via Monte Carlo Tree Search (MCTS). Building on these developments, we introduce Plan-and-Branch-and-Bound (PlanB&B), a model-based reinforcement learning (MBRL) agent that leverages a learned internal model of the B&B dynamics to discover improved branching strategies. Computational experiments empirically validate our approach, with our MBRL branching agent outperforming previous state-of-the-art RL methods across four standard MILP benchmarks.
Authors: YongKyung Oh, Dong-Young Lim, Sungil Kim
Abstract: Modeling continuous-time dynamics from sparse and irregularly-sampled time series remains a fundamental challenge. Neural controlled differential equations provide a principled framework for such tasks, yet their performance is highly sensitive to the choice of control path constructed from discrete observations. Existing methods commonly employ fixed interpolation schemes, which impose simplistic geometric assumptions that often misrepresent the underlying data manifold, particularly under high missingness. We propose FlowPath, a novel approach that learns the geometry of the control path via an invertible neural flow. Rather than merely connecting observations, FlowPath constructs a continuous and data-adaptive manifold, guided by invertibility constraints that enforce information-preserving and well-behaved transformations. This inductive bias distinguishes FlowPath from prior unconstrained learnable path models. Empirical evaluations on 18 benchmark datasets and a real-world case study demonstrate that FlowPath consistently achieves statistically significant improvements in classification accuracy over baselines using fixed interpolants or non-invertible architectures. These results highlight the importance of modeling not only the dynamics along the path but also the geometry of the path itself, offering a robust and generalizable solution for learning from irregular time series.
Authors: Zhijie Zhong, Zhiwen Yu, Kaixiang Yang, Yongheng Liu, Jun Jiang, C. L. Philip Chen
Abstract: Time series anomaly detection (TSAD) is a critical data mining task often constrained by label scarcity. Consequently, current research predominantly focuses on Unsupervised Time-series Anomaly Detection (UTAD), relying on increasingly complex architectures to model normal data distributions. However, this algorithm-centric trend often overlooks the significant performance gains achievable from limited anomaly labels available in practical scenarios. This paper challenges the premise that algorithmic complexity is the optimal path for TSAD. Instead of proposing another intricate unsupervised model, we present a comprehensive benchmark and empirical study to rigorously compare supervised and unsupervised paradigms. To isolate the value of labels, we introduce \stand, a deliberately minimalist supervised baseline. Extensive experiments on five public datasets demonstrate that: (1) Labels matter more than models: under a limited labeling budget, simple supervised models significantly outperform complex state-of-the-art unsupervised methods; (2) Supervision yields higher returns: the performance gain from minimal supervision far exceeds the incremental gains from architectural innovations; and (3) Practicality: \stand~exhibits superior prediction consistency and anomaly localization compared to unsupervised counterparts. These findings advocate for a paradigm shift in TSAD research, urging the community to prioritize data-centric label utilization over purely algorithmic complexity. The code and benchmark are publicly available at https://github.com/EmorZz1G/STAND.
Authors: Shreevanth Krishnaa Gopalakrishnan, Stephen Hailes
Abstract: Machine learning drives Channel State Information (CSI)-based human sensing in modern wireless networks, enabling applications like device-free human activity recognition (HAR) and identification (HID). However, the susceptibility of these models to adversarial perturbations raises security concerns that must be quantified prior to edge deployment. We present a systematic robustness evaluation of five diverse CSI architectures across four public datasets, jointly analyzing white-box, black-box transfer, and universal attacks, together with defense strategies, under unconstrained and physics-guided perturbation boundaries. Contrary to prior assumptions, our experiments reveal that model capacity does not guarantee robustness; simple architectures consistently exhibit superior resilience compared to high-capacity sequence and vision models. Furthermore, vulnerability is fundamentally task-dependent, with HAR proving highly susceptible to attack, while HID demonstrates stark inherent resistance. Crucially, enforcing physical signal constraints drastically reduces attack success rates and significantly taxes attacker computation, showing that standard unconstrained feature-space attacks substantially overestimate real-world Over-The-Air vulnerabilities. By synthesizing attack, defense, and security metrics with strict edge hardware considerations, this work establishes foundational design principles for secure, deployable, and physically realizable wireless sensing systems.
Authors: Tai Nguyen, Phong Le, Andr\'e Biedenkapp, Carola Doerr, Nguyen Dang
Abstract: Dynamic Algorithm Configuration (DAC) studies the efficient identification of control policies for parameterized optimization algorithms. Numerous studies leverage Reinforcement Learning (RL) to address DAC challenges; however, applying RL often requires extensive domain expertise. In this work, we conduct a comprehensive study of two deep-RL algorithms--Double Deep Q-Networks (DDQN) and Proximal Policy Optimization (PPO)--for controlling the population size of the $(1+(\lambda,\lambda))$-GA on OneMax instances. Although OneMax is structurally simple, learning effective control policies for the $(1+(\lambda,\lambda))$-GA induces a highly challenging DAC landscape, making it a controlled yet demanding benchmark. Our investigation reveals two fundamental challenges limiting DDQN and PPO: scalability degradation and learning instability, traced to under-exploration and planning horizon coverage. To address under-exploration, we introduce an adaptive reward shifting mechanism that leverages reward distribution statistics to enhance DDQN exploration. This eliminates instance-specific hyperparameter tuning and ensures consistent effectiveness across problem scales. To resolve planning horizon coverage, we demonstrate that undiscounted learning succeeds in DDQN, while PPO faces fundamental variance issues necessitating alternative designs. We further show that while hyperparameter optimization enhances PPO's stability, it consistently fails to identify effective policies. Finally, DDQN with adaptive reward shifting achieves performance comparable to theoretically derived policies with vastly improved sample efficiency, outperforming prior DAC approaches by orders of magnitude. Our findings provide insights into the fundamental obstacles faced by standard deep-RL approaches in this challenging DAC setting and highlight the key methodological ingredients required for effective learning.
Authors: Mohammad Arif Rasyidi, Omar Alhussein, Sami Muhaidat, Ernesto Damiani
Abstract: Unsupervised anomaly-based intrusion detection requires models that can generalize to attack patterns not observed during training. This work presents the first large-scale evaluation of hybrid quantum-classical (HQC) autoencoders for this task. We construct a unified experimental framework that iterates over key quantum design choices, including quantum-layer placement, measurement approach, variational and non-variational formulations, and latent-space regularization. Experiments across three benchmark NIDS datasets show that HQC autoencoders can match or exceed classical performance in their best configurations, although they exhibit higher sensitivity to architectural decisions. Under zero-day evaluation, well-configured HQC models provide stronger and more stable generalization than classical and supervised baselines. Simulated gate-noise experiments reveal early performance degradation, indicating the need for noise-aware HQC designs. These results provide the first data-driven characterization of HQC autoencoder behavior for network intrusion detection and outline key factors that govern their practical viability. All experiment code and configurations are available at https://github.com/arasyi/hqcae-network-intrusion-detection.
URLs: https://github.com/arasyi/hqcae-network-intrusion-detection.
Authors: Yifan Zhang, Zixiang Chen, Yifeng Liu, Zhen Qin, Huizhuo Yuan, Kangping Xu, Yang Yuan, Quanquan Gu, Andrew Chi-Chih Yao
Abstract: We present GRAPE (Group Representational Position Encoding), a unified framework for positional encoding based on group actions. GRAPE unifies two families of mechanisms: (i) multiplicative rotations (Multiplicative GRAPE) in $\operatorname{SO}(d)$ and (ii) additive logit biases (Additive GRAPE) arising from unipotent actions in the general linear group $\mathrm{GL}$. In Multiplicative GRAPE, a position $n \in \mathbb{Z}$ (or $t \in \mathbb{R}$) acts as $\mathbf{G}(n) = \exp(n \, \omega \, \mathbf{L})$ with a rank-2 skew-symmetric generator $\mathbf{L} \in \mathbb{R}^{d \times d}$, yielding a relative, compositional, norm-preserving map with a closed-form matrix exponential. RoPE is recovered exactly when the $d/2$ planes correspond to canonical coordinate pairs with a log-uniform spectrum. Learned commuting subspaces and compact non-commuting mixtures strictly extend this geometry to capture cross-subspace feature coupling at $O(d)$ and $O(r d)$ cost per head, respectively. In Additive GRAPE, additive logits arise from rank-1 (or low-rank) unipotent actions, recovering ALiBi and the Forgetting Transformer (FoX) as exact special cases while preserving an exact relative law and streaming cacheability. Overall, GRAPE provides a principled design space for positional geometry in long-context models, subsuming RoPE and ALiBi as special cases. Project page: https://github.com/model-architectures/GRAPE.
Authors: Lingjing Kong, Shaoan Xie, Guangyi Chen, Yuewen Sun, Xiangchen Song, Eric P. Xing, Kun Zhang
Abstract: Deep generative models, while revolutionizing fields like image and text generation, largely operate as opaque ``black boxes'', hindering human understanding, control, and alignment. While methods like sparse autoencoders (SAEs) show remarkable empirical success, they often lack theoretical guarantees, risking subjective insights. Our primary objective is to establish a principled foundation for interpretable generative models. We demonstrate that the principle of causal minimality -- favoring the simplest causal explanation -- can endow the latent representations of modern generative models with clear causal interpretation and robust, component-wise identifiable control. We introduce a novel theoretical framework for hierarchical selection models, where higher-level concepts emerge from the constrained composition of lower-level variables, better capturing the complex dependencies in data generation. Under theoretically derived minimality conditions, we show that learned representations can be equivalent to the true latent variables of the data-generating process. Empirically, applying these constraints to leading text-to-image diffusion models allows us to extract their innate hierarchical concept graphs, offering fresh insights into their internal knowledge organization. Furthermore, these causally grounded concepts serve as levers for fine-grained model steering, paving the way for transparent, reliable systems.
Authors: Felix Stollenwerk, Anna Lokrantz, Niclas Hertzberg
Abstract: Pretraining of large language models is not only expensive but also prone to certain training instabilities. A specific instability that often occurs at the end of training is output logit divergence. The most widely used mitigation strategies, z-loss and logit soft-capping, merely address the symptoms rather than the underlying cause of the problem. In this paper, we analyze the instability from the perspective of the output embeddings' geometry and identify anisotropic embeddings as its source. Based on this, we propose output embedding centering (OEC) as a new mitigation strategy, and demonstrate that it suppresses output logit divergence. OEC can be implemented in two different ways: as a deterministic operation called $\mu$-centering, or a regularization method called $\mu$-loss. Our experiments show that both variants outperform z-loss in terms of training stability, while being on par with logit soft-capping. This holds true both in the presence and the absence of weight tying. As a secondary result, we find that $\mu$-loss is significantly less sensitive to regularization hyperparameter tuning than z-loss.
Authors: Yiyuan Li, Zhen Huang, Yanan Wu, Weixun Wang, Xuefeng Li, Yijia Luo, Wenbo Su, Bo Zheng, Pengfei Liu
Abstract: The reasoning ability of large language models (LLMs) can be unleashed with reinforcement learning (RL) (OpenAI, 2024; DeepSeek-AI et al., 2025a; Zeng et al., 2025). The success of existing RL attempts in LLMs usually rely on high-quality samples of large volumes. In this paper, we challenge conventional assumptions about data requirements in RL for LLMs by demonstrating the effectiveness of one-shot reinforcement learning. Specifically, we introduce polymath learning, a framework for designing one training sample that elicits multidisciplinary reasoning improvement. We present three key findings: (1) A single, strategically selected math reasoning sample can produce significant performance improvements across multiple domains, including physics, chemistry, and biology; (2) Analysis of salient mathematical skills provides insight into the characteristics associated with effective polymath samples; and (3) An engineered synthetic sample that integrates multidisciplinary elements and broader skill coverage achieves stronger performance than naturally occurring individual samples. Across various reasoning benchmarks, polymath learning achieves stronger performance than larger datasets, demonstrating that reasoning structure and skills in samples, rather than quantity, may be the key to unlock enhanced reasoning capabilities in language models. Our results suggest a shift, dubbed as sample engineering, toward precision engineering of samples that complements simply increasing data volume.
Authors: Tianrun Yu, Kaixiang Zhao, Cheng Zhang, Anjun Gao, Yueyang Quan, Zhuqing Liu, Minghong Fang
Abstract: Federated learning (FL) has emerged as a transformative distributed learning paradigm, enabling multiple clients to collaboratively train a global model under the coordination of a central server without sharing their raw training data. While FL offers notable advantages, it faces critical challenges in ensuring fairness across diverse demographic groups. To address these fairness concerns, various fairness-aware debiasing methods have been proposed. However, many of these approaches either require modifications to clients' training protocols or lack flexibility in their aggregation strategies. In this work, we address these limitations by introducing EquFL, a novel server-side debiasing method designed to mitigate bias in FL systems. EquFL operates by allowing the server to generate a single calibrated update after receiving model updates from the clients. This calibrated update is then integrated with the aggregated client updates to produce an adjusted global model that reduces bias. Theoretically, we establish that EquFL converges to the optimal global model achieved by FedAvg and effectively reduces fairness loss over training rounds. Empirically, we demonstrate that EquFL significantly mitigates bias within the system, showcasing its practical effectiveness.
Authors: Qiangwei Peng, Zihan Wang, Junda Ying, Yuhao Sun, Qing Nie, Lei Zhang, Tiejun Li, Peijie Zhou
Abstract: The Wasserstein-Fisher-Rao (WFR) metric extends dynamic optimal transport (OT) by coupling displacement with change of mass, providing a principled geometry for modeling unbalanced snapshot dynamics. Existing WFR solvers, however, are often unstable, computationally expensive, and difficult to scale. Here we introduce WFR Flow Matching (WFR-FM), a simulation-free training algorithm that unifies flow matching with dynamic unbalanced OT. Unlike classical flow matching which regresses only a transport vector field, WFR-FM simultaneously regresses a vector field for displacement and a scalar growth rate function for birth-death dynamics, yielding continuous flows under the WFR geometry. Theoretically, we show that minimizing the WFR-FM loss exactly recovers WFR geodesics. Empirically, WFR-FM yields more accurate and robust trajectory inference in single-cell biology, reconstructing consistent dynamics with proliferation and apoptosis, estimating time-varying growth fields, and applying to generative dynamics under imbalanced data. It outperforms state-of-the-art baselines in efficiency, stability, and reconstruction accuracy. Overall, WFR-FM establishes a unified and efficient paradigm for learning dynamical systems from unbalanced snapshots, where not only states but also mass evolve over time. The Python code is available at https://github.com/QiangweiPeng/WFR-FM.
Authors: Qingyue Zhang, Chang Chu, Haohao Fu, Tianren Peng, Yanru Wu, Guanbo Huang, Yang Li, Shao-Lun Huang
Abstract: In multi-source transfer learning, a key challenge lies in how to appropriately differentiate and utilize heterogeneous source tasks. However, existing multi-source methods typically focus on optimizing either the source weights or the amount of transferred samples, largely neglecting their joint consideration. In this work, we propose a theoretical framework, Unified Optimization of Weights and Quantities (UOWQ), that jointly determines the optimal source weights and transfer quantities for each source task. Specifically, the framework formulates multi-source transfer learning as a parameter estimation problem based on an asymptotic analysis of a Kullback--Leibler divergence--based generalization error measure, leading to two main theoretical findings: 1) using all available source samples is always optimal when the weights are properly adjusted; 2) the optimal source weights are characterized by a principled optimization problem whose structure explicitly incorporates the Fisher information, parameter discrepancy, parameter dimensionality, and transfer quantities. Building on the theoretical results, we further propose a practical algorithm for multi-source transfer learning, and extend it to multi-task learning settings where each task simultaneously serves as both a source and a target. Extensive experiments on real-world benchmarks, including DomainNet and Office-Home, demonstrate that UOWQ consistently outperforms strong baselines. The results validate both the theoretical predictions and the practical effectiveness of our framework.
Authors: Enes Arda, Semih Cayci, Atilla Eryilmaz
Abstract: Understanding why Transformers perform so well remains challenging due to their non-convex optimization landscape. In this work, we analyze a shallow Transformer with $m$ independent heads trained by projected gradient descent in the kernel regime. Our analysis reveals two main findings: (i) the width required for nonasymptotic guarantees scales only logarithmically with the sample size $n$, and (ii) the optimization error is independent of the sequence length $T$. This contrasts sharply with recurrent architectures, where the optimization error can grow exponentially with $T$. The trade-off is memory: to keep the full context, the Transformer's memory requirement grows with the sequence length. We validate our theoretical results numerically in a teacher-student setting and compare Transformers with recurrent architectures on an autoregressive task.
Authors: Shijun Zhang, Zuowei Shen, Yuesheng Xu
Abstract: We study multigrade deep learning (MGDL) as a principled framework for structured error refinement in deep neural networks. While the approximation power of neural networks is now relatively well understood, training very deep architectures remains challenging due to highly non-convex and often ill-conditioned optimization landscapes. In contrast, for relatively shallow networks, most notably one-hidden-layer $\texttt{ReLU}$ models, training admits convex reformulations with global guarantees, motivating learning paradigms that improve stability while scaling to depth. MGDL builds upon this insight by training deep networks grade by grade: previously learned grades are frozen, and each new residual block is trained solely to reduce the remaining approximation error, yielding an interpretable and stable hierarchical refinement process. We develop an operator-theoretic foundation for MGDL and prove that, for any continuous target function, there exists a fixed-width multigrade $\texttt{ReLU}$ scheme whose residuals decrease strictly across grades and converge uniformly to zero. To the best of our knowledge, this work provides the first rigorous theoretical guarantee that grade-wise training yields provable vanishing approximation error in deep networks. Numerical experiments further illustrate the theoretical results.
Authors: Sukirt Thakur, Marcus Roper, Yang Zhou, Dmitry Yu. Isaev, Reza Akbarian Bafghi, Brahmajee K. Nallamothu, C. Alberto Figueroa, Srinivas Paruchuri, Scott Burger, Carlos Collet, Maziar Raissi
Abstract: More than 10 million coronary angiograms are performed globally each year, providing a gold standard for detecting obstructive coronary artery disease. Yet, no obstructive lesions are identified in 70% of patients evaluated for ischemic heart disease. Up to half of these patients have undiagnosed, life-limiting coronary microvascular dysfunction (CMD), which remains under-detected due to the limited availability of invasive tools required to measure coronary flow reserve (CFR). Here, we introduce PUNCH, a non-invasive, uncertainty-aware framework for estimating CFR directly from standard coronary angiography. PUNCH integrates physics-informed neural networks with variational inference to infer coronary blood flow from first-principles models of contrast transport, without requiring ground-truth flow measurements or population-level training. The pipeline runs in approximately three minutes per patient on a single GPU. Validated on synthetic angiograms with controlled noise and imaging artifacts, as well as on clinical bolus thermodilution data from 20 patients, PUNCH demonstrates accurate and uncertainty-calibrated CFR estimation. This approach establishes a new paradigm for CMD diagnosis and illustrates how physics-informed inference can substantially expand the diagnostic utility of available clinical imaging.
Authors: Hao Fang, Ryan A. Canfield, Tomohiro Ouchi, Beatrice Macagno, Eli Shlizerman, Amy L. Orsborn
Abstract: Brain motor decoding aims to interpret and translate neural activity into behaviors. Decoding models should generalize across variations, such as recordings from different brain sites, experimental sessions, behavior types, and subjects, will be critical for real-world applications. Current decoding models only partially address these challenges. In this work, we develop a pretrained neural transformer model, RPNT - Robust Pretrained Neural Transformer, designed to achieve robust generalization through pretraining, which in turn enables effective finetuning for downstream motor decoding tasks. We achieved the proposed RPNT architecture by systematically investigating which transformer building blocks could be suitable for neural spike activity modeling, since components from models developed for other modalities, such as text and images, do not transfer directly to neural data. The final RPNT architecture incorporates three unique enabling components: 1) Multidimensional rotary positional embedding to aggregate experimental metadata such as site coordinates, session ids and behavior types; 2) Context-based attention mechanism via convolution kernels operating on global attention to learn local temporal structures for handling non-stationarity of neural population activity; 3) Robust self-supervised learning objective with stochastic causal masking strategies and contrastive representations. We pretrained two versions of RPNT on distinct datasets that present significant generalization challenges: a) Multi-session, multi-task, and multi-subject microelectrode benchmark; b) Multi-site recordings using high-density Neuropixel 1.0 probes from many cortical locations. After pretraining, we evaluated RPNT generalization on cross-session, cross-type, cross-subject, and cross-site downstream behavior decoding tasks. Our RPNT consistently outperforms the existing decoding models on these tasks.
Authors: Alejandro Luque-Cerpa, Mengyuan Wang, Emil Carlsson, Sanjit A. Seshia, Devdatt Dubhashi, Hazem Torfah
Abstract: We introduce a novel framework for learning context-aware runtime monitors for AI-based control ensembles. Machine-learning (ML) controllers are increasingly deployed in (autonomous) cyber-physical systems because of their ability to solve complex decision-making tasks. However, their accuracy can degrade sharply in unfamiliar environments, creating significant safety concerns. Traditional ensemble methods aim to improve robustness by averaging or voting across multiple controllers, yet this often dilutes the specialized strengths that individual controllers exhibit in different operating contexts. We argue that, rather than blending controller outputs, a monitoring framework should identify and exploit these contextual strengths. In this paper, we reformulate the design of safe AI-based control ensembles as a contextual monitoring problem. A monitor continuously observes the system's context and selects the controller best suited to the current conditions. To achieve this, we cast monitor learning as a contextual learning task and draw on techniques from contextual multi-armed bandits. Our approach comes with two key benefits: (1) theoretical safety guarantees during controller selection, and (2) improved utilization of controller diversity. We validate our framework in two simulated autonomous driving scenarios, demonstrating significant improvements in both safety and performance compared to non-contextual baselines.
Authors: Shihao Shao, Cong Fang, Zhouchen Lin, Dacheng Tao
Abstract: We study a new learning protocol, termed partial-feedback online learning, where each instance admits a set of acceptable labels, but the learner observes only one acceptable label per round. We highlight that, while classical version space is widely used for online learnability, it does not directly extend to this setting. We address this obstacle by introducing a collection version space, which maintains sets of hypotheses rather than individual hypotheses. Using this tool, we obtain a tight characterization of learnability in the set-realizable regime. In particular, we define the Partial-Feedback Littlestone dimension (PFLdim) and the Partial-Feedback Measure Shattering dimension (PMSdim), and show that they tightly characterize the minimax regret for deterministic and randomized learners, respectively. We further identify a nested inclusion condition under which deterministic and randomized learnability coincide, resolving an open question of Raman et al. (2024b). Finally, given a hypothesis space H, we show that beyond set realizability, the minimax regret can be linear even when |H|=2, highlighting a barrier beyond set realizability.
Authors: Anderson de Andrade, Alon Harell, Ivan V. Baji\'c
Abstract: Transformers achieve superior performance on many tasks, but impose heavy compute and memory requirements during inference. This inference can be made more efficient by partitioning the process across multiple devices, which, in turn, requires compressing its intermediate representations. We introduce a principled rate-distortion-based framework for lossy compression that learns compact encodings that explicitly trade bitrate for accuracy. Experiments on language benchmarks show that the simplest of the proposed codecs achieves substantial rate savings, outperforming more complex methods. We characterize and analyze the rate-distortion behaviour of transformers, offering a unified lens for understanding performance in representation coding. This formulation extends information-theoretic concepts to define the gap between rate and entropy, and derive some of its bounds. We further develop probably approximately correct (PAC)-style bounds for estimating this gap. For different architectures and tasks, we empirically demonstrate that their rates are driven by these bounds, adding to the explainability of the formulation.
Authors: Zeyuan He, Yupeng Chen, Lang Lin, Yihan Wang, Shenxu Chang, Eric Sommerlade, Philip Torr, Junchi Yu, Adel Bibi, Jialin Yu
Abstract: Diffusion large language models (D-LLMs) offer an alternative to autoregressive LLMs (AR-LLMs) and have demonstrated advantages in generation efficiency. Beyond the utility benefits, we argue that D-LLMs exhibit a previously underexplored safety blessing: their diffusion-style generation confers intrinsic robustness against jailbreak attacks originally designed for AR-LLMs. In this work, we provide an initial analysis of the underlying mechanism, showing that the diffusion trajectory induces a stepwise reduction effect that progressively suppresses unsafe generations. This robustness, however, is not absolute. Following this analysis, we highlight a simple yet effective failure mode, context nesting, in which harmful requests are embedded within structured benign contexts. Empirically, we show that this simple black-box strategy bypasses D-LLMs' safety blessing, achieving state-of-the-art attack success rates across models and benchmarks. Notably, it enables the first successful jailbreak of Gemini Diffusion to our knowledge, exposing a critical vulnerability in proprietary D-LLMs. Together, our results characterize both the origins and the limits of D-LLMs' safety blessing, constituting an early-stage red-teaming of D-LLMs.
Authors: Jayadev Billa
Abstract: Neural networks gain capabilities during training, but the internal changes that precede capability acquisition are not well understood. In particular, the relationship between geometric change and behavioral change, and the effect of task difficulty and model scale on that relationship, is unclear. We track geometric measures and linear probes across six transformer sizes (405K--151M parameters), eight algorithmic tasks (144 task$\times$level$\times$model combinations), and three Pythia language models (160M--2.8B). Across all settings, representations first collapse to a low-dimensional state, then recover, and only then does behavioral performance improve. Linear probes show that the model's hidden states already contain task-relevant information before the model can act on it. The collapse floor is task-specific, the collapse propagates top-down through the network, and of the geometric measures tested, only \rankme reliably precedes capability acquisition for hard tasks. Whether this precursor is detectable depends on task difficulty relative to model capacity. For hard tasks, there is a clear gap: geometry changes first, behavior follows. For easy tasks, the model learns so quickly that both happen simultaneously and no precursor is detectable. On Pythia-2.8B, a logical deduction task that is genuinely hard for the model shows a precursor gap of ${\sim}$49K training steps, while easy benchmarks show none. This suggests that geometric patterns observed in small proxy models can persist at larger scale when the task remains difficult relative to model capacity.
Authors: Gabriel Mongaras, Eric C. Larson
Abstract: Linear attention transformers have become a strong alternative to softmax attention due to their efficiency. However, linear attention tends to be less expressive and results in reduced accuracy compared to softmax attention. To bridge the accuracy gap between softmax attention and linear attention, we manipulate Mamba-2, a very strong linear attention variant. We first simplify Mamba-2 down to its most fundamental and important components, evaluating which specific choices make it most accurate. From this simplified Mamba variant (Mamba-2S), we improve the A-mask and increase the order of the hidden state, resulting in a method, which we call 2Mamba, that is nearly as accurate as softmax attention, yet much more memory efficient for long context lengths. We also investigate elements to Mamba-2 that help surpass softmax attention accuracy. Code is provided for all our experiments
Authors: Aran Nayebi
Abstract: As artificial agents become increasingly capable, what internal structure is *necessary* for an agent to act competently under uncertainty? Classical results show that optimal control can be *implemented* using belief states or world models, but not that such representations are required. We prove quantitative "selection theorems" showing that strong task performance (low *average-case regret*) forces world models, belief-like memory and -- under task mixtures -- persistent variables resembling core primitives associated with emotion, along with informational modularity under block-structured tasks. Our results cover stochastic policies, partial observability, and evaluation under task distributions, without assuming optimality, determinism, or access to an explicit model. Technically, we reduce predictive modeling to binary "betting" decisions and show that regret bounds limit probability mass on suboptimal bets, enforcing the predictive distinctions needed to separate high-margin outcomes. In fully observed settings, this yields approximate recovery of the interventional transition kernel; under partial observability, it implies necessity of predictive state and belief-like memory, addressing an open question in prior world-model recovery work.
Authors: Haichen Hu, David Simchi-Levi
Abstract: We study the problem of evaluating the excess risk of large-scale empirical risk minimization under the square loss. Leveraging the idea of wild refitting and resampling, we assume only black-box access to the training algorithm and develop an efficient procedure for estimating the excess risk. Our evaluation algorithm is both computationally and data efficient. In particular, it requires access to only a single dataset and does not rely on any additional validation data. Computationally, it only requires refitting the model on several much smaller datasets obtained through sequential resampling, in contrast to previous wild refitting methods that require full-scale retraining and might therefore be unsuitable for large-scale trained predictors. Our algorithm has an interleaved sequential resampling-and-refitting structure. We first construct pseudo-responses through a randomized residual symmetrization procedure. At each round, we thus resample two sub-datasets from the resulting covariate pseudo-response pairs. Finally, we retrain the model separately on these two small artificial datasets. We establish high probability excess risk guarantees under both fixed design and random design settings, showing that with a suitably chosen noise scale, our interleaved resampling and refitting algorithm yields an upper bound on the prediction error. Our theoretical analysis draws on tools from empirical process theory, harmonic analysis, Toeplitz operator theory, and sharp tensor concentration inequalities.
Authors: Sonia Laguna, Jorge da Silva Goncalves, Moritz Vandenhirtz, Alain Ryser, Irene Cannistraci, Julia E. Vogt
Abstract: Machine unlearning is rapidly becoming a practical requirement, driven by privacy regulations, data errors, and the need to remove harmful or corrupted training samples. Despite this, most existing methods tackle the problem purely from a post-hoc perspective. They attempt to erase the influence of targeted training samples through parameter updates that typically require access to the full training data. This creates a mismatch with real deployment scenarios where unlearning requests can be anticipated, revealing a fundamental limitation of post-hoc approaches. We propose unlearning by design, a novel paradigm in which models are directly trained to support forgetting as an inherent capability. We instantiate this idea with Machine UNlearning via KEY deletion (MUNKEY), a memory augmented transformer that decouples instance-specific memorization from model weights. Here, unlearning corresponds to removing the instance-identifying key, enabling direct zero-shot forgetting without weight updates or access to the original samples or labels. Across natural image benchmarks, fine-grained recognition, and medical datasets, MUNKEY outperforms all post-hoc baselines. Our results establish that unlearning by design enables fast, deployment-oriented unlearning while preserving predictive performance.
Authors: Mohammad Al Ridhawi, Mahtab Haj Ali, Hussein Al Osman
Abstract: Stock markets exhibit regime-dependent behavior where prediction models optimized for stable conditions often fail during volatile periods. Existing approaches typically treat all market states uniformly or require manual regime labeling, which is expensive and quickly becomes stale as market dynamics evolve. This paper introduces an adaptive prediction framework that adaptively identifies deviations from normal market conditions and routes data through specialized prediction pathways. The architecture consists of three components: (1) an autoencoder trained on normal market conditions that identifies anomalous regimes through reconstruction error, (2) dual node transformer networks specialized for stable and event-driven market conditions respectively, and (3) a Soft Actor-Critic reinforcement learning controller that adaptively tunes the regime detection threshold and pathway blending weights based on prediction performance feedback. The reinforcement learning component enables the system to learn adaptive regime boundaries, defining anomalies as market states where standard prediction approaches fail. Experiments on 20 S&P 500 stocks spanning 1982 to 2025 demonstrate that the proposed framework achieves 0.68% mean absolute percentage error (MAPE) for one-day predictions without the reinforcement controller and 0.59% MAPE with the full adaptive system, compared to 0.80% for the baseline integrated node transformer. Directional accuracy reaches 72% with the complete framework. The system maintains robust performance during high-volatility periods, with MAPE below 0.85% when baseline models exceed 1.5%. Ablation studies confirm that each component contributes meaningfully: autoencoder routing accounts for 36% relative MAPE degradation upon removal, followed by the SAC controller at 15% and the dual-path architecture at 7%.
Authors: Ming Shi, Yingbin Liang, Ness B. Shroff, Ananthram Swami
Abstract: Reinforcement learning from human feedback (RLHF) replaces hard-to-specify rewards with pairwise trajectory preferences, yet regret-oriented theory often assumes that preference labels are generated consistently from a single ground-truth objective. In practical RLHF systems, however, feedback is typically \emph{multi-source} (annotators, experts, reward models, heuristics) and can exhibit systematic, persistent mismatches due to subjectivity, expertise variation, and annotation/modeling artifacts. We study episodic RL from \emph{multi-source imperfect preferences} through a cumulative imperfection budget: for each source, the total deviation of its preference probabilities from an ideal oracle is at most $\omega$ over $K$ episodes. We propose a unified algorithm with regret $\tilde{O}(\sqrt{K/M}+\omega)$, which exhibits a best-of-both-regimes behavior: it achieves $M$-dependent statistical gains when imperfection is small (where $M$ is the number of sources), while remaining robust with unavoidable additive dependence on $\omega$ when imperfection is large. We complement this with a lower bound $\tilde{\Omega}(\max\{\sqrt{K/M},\omega\})$, which captures the best possible improvement with respect to $M$ and the unavoidable dependence on $\omega$, and a counterexample showing that na\"ively treating imperfect feedback as oracle-consistent can incur regret as large as $\tilde{\Omega}(\min\{\omega\sqrt{K},K\})$. Technically, our approach involves imperfection-adaptive weighted comparison learning, value-targeted transition estimation to control hidden feedback-induced distribution shift, and sub-importance sampling to keep the weighted objectives analyzable, yielding regret guarantees that quantify when multi-source feedback provably improves RLHF and how cumulative imperfection fundamentally limits it.
Authors: Yicheng Zou, Dongsheng Zhu, Lin Zhu, Tong Zhu, Yunhua Zhou, Peiheng Zhou, Xinyu Zhou, Dongzhan Zhou, Zhiwang Zhou, Yuhao Zhou, Bowen Zhou, Zhanping Zhong, Zhijie Zhong, Haiteng Zhao, Penghao Zhao, Xiaomeng Zhao, Zhiyuan Zhao, Yechen Zhang, Jin Zhang, Wenwei Zhang, Hongjie Zhang, Zhuo Zhang, Wenlong Zhang, Bo Zhang, Chao Zhang, Chen Zhang, Yuhang Zang, Fei Yuan, Jiakang Yuan, Jiashuo Yu, Jinhui Yin, Haochen Ye, Qian Yao, Bowen Yang, Danni Yang, Kaichen Yang, Ziang Yan, Jun Xu, Yicheng Xu, Wanghan Xu, Xuenan Xu, Chao Xu, Ruiliang Xu, Shuhao Xing, Long Xing, Xinchen Xie, Ling-I Wu, Zijian Wu, Zhenyu Wu, Lijun Wu, Yue Wu, Jianyu Wu, Wen Wu, Fan Wu, Xilin Wei, Qi Wei, Bingli Wang, Rui Wang, Ziyi Wang, Zun Wang, Yi Wang, Haomin Wang, Yizhou Wang, Lintao Wang, Yiheng Wang, Longjiang Wang, Bin Wang, Jian Tong, Zhongbo Tian, Huanze Tang, Chen Tang, Shixiang Tang, Yu Sun, Qiushi Sun, Xuerui Su, Qisheng Su, Chenlin Su, Demin Song, Jin Shi, Fukai Shang, Yuchen Ren, Pengli Ren, Xiaoye Qu, Yuan Qu, Jiantao Qiu, Yu Qiao, Biqing Qi, Runyu Peng, Tianshuo Peng, Jiahui Peng, Qizhi Pei, Zhuoshi Pan, Linke Ouyang, Wenchang Ning, Yichuan Ma, Zerun Ma, Ningsheng Ma, Runyuan Ma, Chengqi Lyu, Haijun Lv, Han Lv, Lindong Lu, Kuikun Liu, Jiangning Liu, Yuhong Liu, Kai Liu, Hongwei Liu, Zhoumianze Liu, Mengjie Liu, Ziyu Liu, Wenran Liu, Yang Liu, Liwei Liu, Kaiwen Liu, Junyao Lin, Junming Lin, Tianyang Lin, Dahua Lin, Jianze Liang, Linyang Li, Peiji Li, Zonglin Li, Zehao Li, Pengze Li, Guoyan Li, Lingkai Kong, Linglin Jing, Zhenjiang Jin, Feifei Jiang, Qian Jiang, Junhao Huang, Zixian Huang, Haian Huang, Zhouqi Hua, Ermo Hua, Han Hu, Linfeng Hou, Yinan He, Conghui He, Tianyao He, Xu Guo, Qipeng Guo, Aijia Guo, Yuzhe Gu, Lixin Gu, Jingyang Gong, Qiming Ge, Jiaye Ge, Songyang Gao, Jianfei Gao, Xinyu Fang, Caihua fan, Yue Fan, Yanhui Duan, Zichen Ding, Shengyuan Ding, Ning Ding, Xuanlang Dai, Erfei Cui, Ganqu Cui, Pei Chu, Tao Chu, Guangran Cheng, Yu Cheng, Kai Chen, Yongkang Chen, Chiyu Chen, Guanzhou Chen, Qiaosheng Chen, Sitao Chen, Xin Chen, Haojiong Chen, Yicheng Chen, Weihan Cao, Yuhang Cao, Qinglong Cao, Lei Bai
Abstract: We introduce Intern-S1-Pro, the first one-trillion-parameter scientific multimodal foundation model. Scaling to this unprecedented size, the model delivers a comprehensive enhancement across both general and scientific domains. Beyond stronger reasoning and image-text understanding capabilities, its intelligence is augmented with advanced agent capabilities. Simultaneously, its scientific expertise has been vastly expanded to master over 100 specialized tasks across critical science fields, including chemistry, materials, life sciences, and earth sciences. Achieving this massive scale is made possible by the robust infrastructure support of XTuner and LMDeploy, which facilitates highly efficient Reinforcement Learning (RL) training at the 1-trillion parameter level while ensuring strict precision consistency between training and inference. By seamlessly integrating these advancements, Intern-S1-Pro further fortifies the fusion of general and specialized intelligence, working as a Specializable Generalist, demonstrating its position in the top tier of open-source models for general capabilities, while outperforming proprietary models in the depth of specialized scientific tasks.
Authors: Andrea Fraschini, Davide Tenedini, Riccardo Zamboni, Mirco Mutti, Marcello Restelli
Abstract: Deep Reinforcement Learning (DRL) is widely recognized as sample-inefficient, a limitation attributable in part to the high dimensionality and substantial functional redundancy inherent to the policy parameter space. A recent framework, which we refer to as Action-based Policy Compression (APC), mitigates this issue by compressing the parameter space $\Theta$ into a low-dimensional latent manifold $\mathcal Z$ using a learned generative mapping $g:\mathcal Z \to \Theta$. However, its performance is severely constrained by relying on immediate action-matching as a reconstruction loss, a myopic proxy for behavioral similarity that suffers from compounding errors across sequential decisions. To overcome this bottleneck, we introduce Occupancy-based Policy Compression (OPC), which enhances APC by shifting behavior representation from immediate action-matching to long-horizon state-space coverage. Specifically, we propose two principal improvements: (1) we curate the dataset generation with an information-theoretic uniqueness metric that delivers a diverse population of policies; and (2) we propose a fully differentiable compression objective that directly minimizes the divergence between the true and reconstructed mixture occupancy distributions. These modifications force the generative model to organize the latent space around true functional similarity, promoting a latent representation that generalizes over a broad spectrum of behaviors while retaining most of the original parameter space's expressivity. Finally, we empirically validate the advantages of our contributions across multiple continuous control benchmarks.
Authors: John Schwarcz
Abstract: Are there still barriers to generalization once all relevant variables are known? We address this question via a framework that casts compositional generalization as a variational inference problem over latent variables with parametric interactions. To explore this, we develop the Cognitive Gridworld, a stationary Partially Observable Markov Decision Process (POMDP) where observations are generated jointly by multiple latent variables, yet feedback is provided for only a single goal variable. This setting allows us to define Semantic Interaction Information (SII): a metric measuring the contribution of latent variable interactions to task performance. Using SII, we analyze Recurrent Neural Networks (RNNs) provided with these interactions, finding that SII explains the accuracy gap between Echo State and Fully Trained networks. Our analysis also uncovers a theoretically predicted failure mode where confidence decouples from accuracy, suggesting that utilizing interactions between relevant variables is a non-trivial capability. We then address a harder regime where the interactions must be learned by an embedding model. Learning how latent variables interact requires accurate inference, yet accurate inference depends on knowing those interactions. The Cognitive Gridworld reveals this circular dependence as a core challenge for continual meta-learning. We approach this dilemma via Representation Classification Chains (RCCs), a JEPA-style architecture that disentangles these processes: variable inference and variable embeddings are learned by separate modules through Reinforcement Learning and self-supervised learning, respectively. Lastly, we demonstrate that RCCs facilitate compositional generalization to novel combinations of relevant variables. Together, these results establish a grounded setting for evaluating goal-directed generalist agents.
Authors: Tanvir Hossain, Muhammad Ifte Khairul Islam, Lilia Chebbah, Charles Fanning, Esra Akbas
Abstract: Graph neural networks (GNNs) have achieved strong performance across various real-world domains. Nevertheless, they suffer from oversquashing, where long-range information is distorted as it is compressed through limited message-passing pathways. This bottleneck limits their ability to capture essential global context and decreases their performance, particularly in dense and heterophilic regions of graphs. To address this issue, we propose a novel graph learning framework that enriches node embeddings via cross-attentive cohesive subgraph representations to mitigate the impact of excessive long-range dependencies. This framework enhances the node representation by emphasizing cohesive structure in long-range information but removing noisy or irrelevant connections. It preserves essential global context without overloading the narrow bottlenecked channels, which further mitigates oversquashing. Extensive experiments on multiple benchmark datasets demonstrate that our model achieves consistent improvements in classification accuracy over standard baseline methods.
Authors: Arsenios Scrivens
Abstract: Can a safety gate permit unbounded beneficial self-modification while maintaining bounded cumulative risk? We formalize this question through dual conditions -- requiring sum delta_n < infinity (bounded risk) and sum TPR_n = infinity (unbounded utility) -- and establish a theory of their (in)compatibility. Classification impossibility (Theorem 1): For power-law risk schedules delta_n = O(n^{-p}) with p > 1, any classifier-based gate under overlapping safe/unsafe distributions satisfies TPR_n <= C_alpha * delta_n^beta via Holder's inequality, forcing sum TPR_n < infinity. This impossibility is exponent-optimal (Theorem 3). A second independent proof via the NP counting method (Theorem 4) yields a 13% tighter bound without Holder's inequality. Universal finite-horizon ceiling (Theorem 5): For any summable risk schedule, the exact maximum achievable classifier utility is U*(N, B) = N * TPR_NP(B/N), growing as exp(O(sqrt(log N))) -- subpolynomial. At N = 10^6 with budget B = 1.0, a classifier extracts at most U* ~ 87 versus a verifier's ~500,000. Verification escape (Theorem 2): A Lipschitz ball verifier achieves delta = 0 with TPR > 0, escaping the impossibility. Formal Lipschitz bounds for pre-LayerNorm transformers under LoRA enable LLM-scale verification. The separation is strict. We validate on GPT-2 (d_LoRA = 147,456): conditional delta = 0 with TPR = 0.352. Comprehensive empirical validation is in the companion paper [D2].
Authors: Qixiang Li, Yuan Zhou, Shuwei Huo, Chong Wang, Xiaofeng Li
Abstract: Deep learning-based tropical cyclone (TC) forecasting methods have demonstrated significant potential and application advantages, as they feature much lower computational cost and faster operation speed than numerical weather prediction models. However, existing deep learning methods still have key limitations: they can only process a single type of sequential trajectory data or homogeneous meteorological variables, and fail to achieve accurate forecasting of abnormal deflected TCs. To address these challenges, we present two groundbreaking contributions. First, we have constructed a multimodal and multi-source dataset named AOT-TCs for TC forecasting in the Northwest Pacific basin. As the first dataset of its kind, it innovatively integrates heterogeneous variables from the atmosphere, ocean, and land, thus obtaining a comprehensive and information-rich meteorological dataset. Second, based on the AOT-TCs dataset, we propose a forecasting model that can handle both normal and abnormally deflected TCs. This is the first TC forecasting model to adopt an explicit atmosphere-ocean-terrain coupling architecture, enabling it to effectively capture complex interactions across physical domains. Extensive experiments on all TC cases in the Northwest Pacific from 2017 to 2024 show that our model achieves state-of-the-art performance in TC forecasting: it not only significantly improves the forecasting accuracy of normal TCs but also breaks through the technical bottleneck in forecasting abnormally deflected TCs.
Authors: Amirreza Alasti, Efe Erdal, Y\"ucel Celik, Theresa Eimer
Abstract: Reinforcement Learning (RL) agents often struggle with efficiency and performance in complex environments. We propose a novel framework that uses a Large Language Model (LLM) to dynamically generate a curriculum over available actions, enabling the agent to incorporate each action individually. We apply this framework to the game of Blackjack, where the LLM creates a multi-stage training path that progressively introduces complex actions to a Tabular Q-Learning and a Deep Q-Network (DQN) agent. Our evaluation in a realistic 8-deck simulation over 10 independent runs demonstrates significant performance gains over standard training methods. The curriculum-based approach increases the DQN agent's average win rate from 43.97% to 47.41%, reduces the average bust rate from 32.9% to 28.0%, and accelerates the overall workflow by over 74%, with the agent's full training completing faster than the baseline's evaluation phase alone. These results validate that LLM-guided curricula can build more effective, robust, and efficient RL agents.
Authors: Weyl Lu, Chenjie Hao, Yubei Chen
Abstract: Estimated density is often interpreted as indicating how typical a sample is under a model. Yet deep models trained on one dataset can assign higher density to simpler out-of-distribution (OOD) data than to in-distribution test data. We refer to this behavior as the OOD anomaly. Prior work typically studies this phenomenon within a single architecture, detector, or benchmark, implicitly assuming certain canonical densities. We instead separate the trained network from the density estimator built from its representations or outputs. We introduce two estimators: Jacobian-based estimators and autoregressive self-estimators, making density analysis applicable to a wide range of models. Applying this perspective to a range of models, including iGPT, PixelCNN++, Glow, score-based diffusion models, DINOv2, and I-JEPA, we find the same striking regularity that goes beyond the OOD anomaly: lower-complexity samples receive higher estimated density, while higher-complexity samples receive lower estimated density. This ordering appears within a test set and across OOD pairs such as CIFAR-10 and SVHN, and remains highly consistent across independently trained models. To quantify these orderings, we introduce Spearman rank correlation and find striking agreement both across models and with external complexity metrics. Even when trained only on the lowest-density (most complex) samples - or even a single such sample - the resulting models still rank simpler images as higher density. These observations lead us beyond the original OOD anomaly to a more general conclusion: deep networks consistently favor simple data. Our goal is not to close this question, but to define and visualize it more clearly. We broaden its empirical scope and show that it appears across architectures, objectives, and density estimators.
Authors: Junxian Wu, Chenghan Fu, Zhanheng Nie, Daoze Zhang, Bowen Wan, Wanxian Guan, Chuan Yu, Jian Xu, Bo Zheng
Abstract: With the rapid growth of e-commerce, exploring general representations rather than task-specific ones has attracted increasing attention. Although recent multimodal large language models (MLLMs) have driven significant progress in product understanding, they are typically employed as feature extractors that implicitly encode product information into global embeddings, thereby limiting their ability to capture fine-grained attributes. Therefore, we argue that leveraging the reasoning capabilities of MLLMs to explicitly model fine-grained product attributes holds significant potential. Nevertheless, achieving this goal remains non-trivial due to several key challenges: (i) long-context reasoning tends to dilute the model's attention to salient information in the raw input; (ii) supervised fine-tuning (SFT) primarily encourages rigid imitation, limiting the exploration of effective reasoning strategies; and (iii) fine-grained details are progressively attenuated during forward propagation. To address these issues, we propose MOON3.0, the first reasoning-aware MLLM-based model for product representation learning. Our method (1) employs a multi-head modality fusion module to adaptively integrate raw signals; (2) incorporates a joint contrastive and reinforcement learning framework to autonomously explore more effective reasoning strategies; and (3) introduces a fine-grained residual enhancement module to progressively preserve local details throughout the network. Additionally, we release a large-scale multimodal e-commerce benchmark MBE3.0. Experimentally, our model demonstrates state-of-the-art zero-shot performance across various downstream tasks on both our benchmark and public datasets.
Authors: Marwan Hassani, Tamara Verbeek, Sjoerd van Straten
Abstract: Predictive process monitoring (PPM) focuses on predicting future process trajectories, including next activity predictions. This is crucial in dynamic environments where processes change or face uncertainty. However, current frameworks often assume a static environment, overlooking dynamic characteristics and concept drifts. This results in catastrophic forgetting, where training while focusing merely on new data distribution negatively impacts the performance on previously learned data distributions. Continual learning addresses, among others, the challenges related to mitigating catastrophic forgetting. This paper proposes a novel approach called Continual Next Activity Prediction with Prompts (CNAPwP), which adapts the DualPrompt algorithm for next activity prediction to improve accuracy and adaptability while mitigating catastrophic forgetting. We introduce new datasets with recurring concept drifts, alongside a task-specific forgetting metric that measures the prediction accuracy gap between initial occurrence and subsequent task occurrences. Extensive testing on three synthetic and two real-world datasets representing several setups of recurrent drifts shows that CNAPwP achieves SOTA or competitive results compared to five baselines, demonstrating its potential applicability in real-world scenarios. An open-source implementation of our method, together with the datasets and results, is available at: https://github.com/SvStraten/CNAPwP.
Authors: Zhanzhi Lou, Hui Chen, Yibo Li, Qian Wang, Bryan Hooi
Abstract: Test-Time Learning (TTL) enables language agents to iteratively refine their performance through repeated interactions with the environment at inference time. At the core of TTL is an adaptation policy that updates the actor policy based on experience from previous episodes, thereby improving future behavior. Existing methods rely on fixed, hand-crafted adaptation policies rather than optimizing them for downstream improvement. We argue that optimal adaptation policies should be learned from task environments, not hand-engineered based on human intuition. To achieve this, we introduce Meta-TTL, a framework that formulates the discovery of effective adaptation policies as a bi-level optimization problem. Within this framework, the inner loop executes the standard TTL process, measuring how effectively a candidate adaptation policy helps an agent correct errors across sequential episodes. Guided by the agent's performance, the outer loop employs evolutionary search over a diverse distribution of training tasks to iteratively refine the adaptation policy. We evaluate Meta-TTL on Jericho and WebArena-Lite across both in-distribution (ID) and out-of-distribution (OOD) settings, using multiple meta-agent backbones. Results on both benchmarks show that Meta-TTL consistently outperforms hand-crafted baselines, suggesting that the optimized adaptation policy encodes transferable strategies that generalize beyond the training task distribution.
Authors: Zhantao Chen, Dongyi He, Jin Fang, Xi Chen, Yishuo Liu, Xiaozhen Zhong, Xuejun Hu
Abstract: As sports training becomes more data-driven, traditional dart coaching based mainly on experience and visual observation is increasingly inadequate for high-precision, goal-oriented movements. Although prior studies have highlighted the importance of release parameters, joint motion, and coordination in dart throwing, most quantitative methods still focus on local variables, single-release metrics, or static template matching. These approaches offer limited support for personalized training and often overlook useful movement variability. This paper presents a data-driven dart training assistance system. The system creates a closed-loop framework spanning motion capture, feature modeling, and personalized feedback. Dart-throwing data were collected in markerless conditions using a Kinect 2.0 depth sensor and an optical camera. Eighteen kinematic features were extracted from four biomechanical dimensions: three-link coordination, release velocity, multi-joint angular configuration, and postural stability. Two modules were developed: a personalized optimal throwing trajectory model that combines historical high-quality samples with the minimum jerk criterion, and a motion deviation diagnosis and recommendation model based on z-scores and hierarchical logic. A total of 2,396 throwing samples from professional and non-professional athletes were collected. Results show that the system generates smooth personalized reference trajectories consistent with natural human movement. Case studies indicate that it can detect poor trunk stability, abnormal elbow displacement, and imbalanced velocity control, then provide targeted recommendations. The framework shifts dart evaluation from deviation from a uniform standard to deviation from an individual's optimal control range, improving personalization and interpretability for darts training and other high-precision target sports.
Authors: Xiangpeng Li, Yu-Hsuan Ho, Sam D Brody, Ali Mostafavi
Abstract: This paper argues that AI-enabled analysis of street-view imagery, complemented by performance-gated machine-learning imputation, provides a viable pathway for generating building-specific elevation data at regional scale for flood risk assessment. We develop and apply a three-stage pipeline across 18 areas of interest (AOIs) in Texas that (1) extracts LFE and the height difference between street grade and the lowest floor (HDSL) from Google Street View imagery using the Elev-Vision framework, (2) imputes missing HDSL values with Random Forest and Gradient Boosting models trained on 16 terrain, hydrologic, geographic, and flood-exposure features, and (3) integrates the resulting elevation dataset with Fathom 1-in-100 year inundation surfaces and USACE depth-damage functions to estimate property-specific interior flood depth and expected loss. Across 12,241 residential structures, street-view imagery was available for 73.4% of parcels and direct LFE/HDSL extraction was successful for 49.0% (5,992 structures). Imputation was retained for 13 AOIs where cross-validated performance was defensible, with selected models achieving R suqre values from 0.159 to 0.974; five AOIs were explicitly excluded from prediction because performance was insufficient. The results show that street-view-based elevation mapping is not universally available for every property, but it is sufficiently scalable to materially improve regional flood-risk characterization by moving beyond hazard exposure to structure-level estimates of interior inundation and expected damage. Scientifically, the study advances LFE estimation from a pilot-scale proof of concept to a regional, end-to-end workflow. Practically, it offers a replicable framework for jurisdictions that lack comprehensive Elevation Certificates but need parcel-level information to support mitigation, planning, and flood-risk management.
Authors: Matthew S. Schmitt, Maciej Koch-Janusz, Michel Fruchart, Daniel S. Seara, Michael Rust, Vincenzo Vitelli
Abstract: The dynamics of many-body systems can often be captured in terms of only a few relevant variables. Mathematical and numerical approaches exist to identify these variables by exploiting a separation of time scales between slow relevant and fast irrelevant variables, but such a separation of scales is not always obvious or even available. In this work, we introduce an information-theoretic framework for dimensionality reduction in dynamical systems that bypasses this limitation by instead identifying relevant variables based on how predictive they are of the system's future. To do so, we mathematically formalize the intuition that model reduction is about keeping "relevant" information while throwing away "irrelevant" information. We characterize the solution of the resulting optimization problem and prove that it reduces to standard approaches when a separation of time scales is indeed present in the dynamics. Importantly, we find that within this framework, the problems of identifying relevant variables and identifying their effective dynamics decouple and may be solved separately. This makes the method tractable in practice and enables us to derive dimensionally-reduced variables from data with neural networks. Combined with existing equation learning methods, the procedure introduced in this work reveals the dynamical rules governing the system's evolution in a data-driven manner. We illustrate these tools in diverse settings including simulated chaotic systems, uncurated satellite recordings of atmospheric fluid flows, and experimental videos of cyanobacteria colonies in which we discover an emergent synchronization order parameter.
Authors: Amin Farajzadeh, Animesh Yadav, Halim Yanikomeroglu
Abstract: High-altitude platform stations (HAPS) enable large-scale federated learning (FL) in non-terrestrial networks (NTN) by providing wide-area coverage and predominantly line-of-sight (LoS) connectivity to many ground users. However, practical deployments face heterogeneous and non-independently and identically distributed (non-IID) client data, which degrades accuracy and slows convergence. We propose a weighted attribute-based client selection strategy that leverages server-side indicators: historical traffic behavior, instantaneous channel quality, computational capability, and prior-round learning contribution. At each round, the HAPS computes a composite score and selects the top clients, while adapting attribute weights online based on their correlation with validation-loss improvement. We further provide theoretical justification that traffic-derived uniformity can serve as a proxy for latent data heterogeneity, enabling selection of client subsets with reduced expected non-IIDness. Simulations demonstrate improved test accuracy, faster convergence, and lower training loss compared with random, resource-only, and single-attribute baselines.
Authors: Kwangho Kim, Jisu Kim, Edward H. Kennedy
Abstract: Causal effects are often characterized with population summaries. These might provide an incomplete picture when there are heterogeneous treatment effects across subgroups. Since the subgroup structure is typically unknown, it is more challenging to identify and evaluate subgroup effects than population effects. We propose a new solution to this problem: \emph{Causal k-Means Clustering}, which leverages the k-means clustering algorithm to uncover the unknown subgroup structure. Our problem differs significantly from the conventional clustering setup since the variables to be clustered are unknown counterfactual functions. We present a plug-in estimator which is simple and readily implementable using off-the-shelf algorithms, and study its rate of convergence. We also develop a new bias-corrected estimator based on nonparametric efficiency theory and double machine learning, and show that this estimator achieves fast root-n rates and asymptotic normality in large nonparametric models. Our proposed methods are especially useful for modern outcome-wide studies with multiple treatment levels. Further, our framework is extensible to clustering with generic pseudo-outcomes, such as partially observed outcomes or otherwise unknown functions. Finally, we explore finite sample properties via simulation, and illustrate the proposed methods using a study of mobile-supported self-management for chronic low back pain.
Authors: Changdae Oh, Gyeongdeok Seo, Geunyoung Jung, Zhi-Qi Cheng, Hosik Choi, Jiyoung Jung, Kyungwoo Song
Abstract: With a surge of large-scale pre-trained models, parameter-efficient transfer learning (PETL) of large models has garnered significant attention. While promising, they commonly rely on two optimistic assumptions: 1) full access to the parameters of a PTM, and 2) sufficient memory capacity to cache all intermediate activations for gradient computation. However, in most real-world applications, PTMs serve as black-box APIs or proprietary software without full parameter accessibility. Besides, it is hard to meet a large memory requirement for modern PTMs. This work proposes black-box visual prompting (BlackVIP), which efficiently adapts the PTMs without knowledge of their architectures or parameters. BlackVIP has two components: 1) Coordinator and 2) simultaneous perturbation stochastic approximation with gradient correction (SPSA-GC). The Coordinator designs input-dependent visual prompts, which allow the target PTM to adapt in the wild. SPSA-GC efficiently estimates the gradient of PTM to update Coordinator. Besides, we introduce a variant, BlackVIP-SE, which significantly reduces the runtime and computational cost of BlackVIP. Extensive experiments on 19 datasets demonstrate that BlackVIPs enable robust adaptation to diverse domains and tasks with minimal memory requirements. We further provide a theoretical analysis on the generalization of visual prompting methods by presenting their connection to the certified robustness of randomized smoothing, and presenting an empirical support for improved robustness.
Authors: Ayoub Belhadji, Daniel Sharp, Youssef Marzouk
Abstract: Approximating a probability distribution using a set of particles is a fundamental problem in machine learning and statistics, with applications including clustering and quantization. Formally, we seek a weighted mixture of Dirac measures that best approximates the target distribution. While much existing work relies on the Wasserstein distance to quantify approximation errors, maximum mean discrepancy (MMD) has received comparatively less attention, especially when allowing for variable particle weights. We argue that a Wasserstein-Fisher-Rao gradient flow is well-suited for designing quantizations optimal under MMD. We show that a system of interacting particles satisfying a set of ODEs discretizes this flow. We further derive a new fixed-point algorithm called mean shift interacting particles (MSIP). We show that MSIP extends the classical mean shift algorithm, widely used for identifying modes in kernel density estimators. Moreover, we show that MSIP can be interpreted as preconditioned gradient descent and that it acts as a relaxation of Lloyd's algorithm for clustering. Our unification of gradient flows, mean shift, and MMD-optimal quantization yields algorithms that are more robust than state-of-the-art methods, as demonstrated via high-dimensional and multi-modal numerical experiments.
Authors: Marta Adamska, Daria Smirnova, Hamid Nasiri, Zhengxin Yu, Peter Garraghan
Abstract: Large Language Models (LLMs) have become widely used across various domains spanning search engines, code generation, and text creation. However, a major concern associated with their adoption is the high cost of inference, impacting both their sustainability and financial feasibility. In this study, we empirically study how different prompt and response characteristics directly impact LLM inference energy cost. We conduct experiments leveraging three open-source transformer-based LLMs across three task types$-$question answering, sentiment analysis, and text generation. For each inference, we analyzed prompt and response characteristics (length, semantic meaning, time taken, energy consumption). Our results demonstrate that even when presented with identical tasks, models generate responses with varying characteristics and subsequently exhibit distinct energy consumption patterns. We found that prompt length is less significant than the semantic meaning of the task itself. In addition, we identified specific keywords associated with higher or lower energy usage that vary between associated tasks. These findings highlight the importance of prompt design in optimizing inference efficiency. We conclude that the semantic meaning of prompts and certain task-related keywords significantly impact inference costs, leading the way for deeper exploration towards creating energy-adaptive LLMs.
Authors: Ioannis Anagnostides, Gabriele Farina, Tuomas Sandholm, Brian Hu Zhang
Abstract: Solving (Stampacchia) variational inequalities (SVIs) is a foundational problem at the heart of optimization. However, this expressivity comes at the cost of computational hardness. As a result, most research has focused on carving out specific subclasses that elude those intractability barriers. A classical property that goes back to the 1960s is the Minty condition, which postulates that the Minty VI (MVI) problem admits a solution. In this paper, we establish the first polynomial-time algorithm -- with complexity growing polynomially in the dimension $d$ and $\log(1/\epsilon)$ -- for solving $\epsilon$-SVIs for Lipschitz continuous mappings under the Minty condition. Prior approaches either incurred an exponentially worse dependence on $1/\epsilon$ (and other natural parameters of the problem) or made more restrictive assumptions, such as monotonicity. To do so, we introduce a new variant of the ellipsoid algorithm whereby separating hyperplanes are obtained after taking a descent step from the center of the ellipsoid. It succeeds even though the set of SVIs can be nonconvex and not fully dimensional. Moreover, when our algorithm is applied to an instance with no MVI solution and fails to identify an SVI solution, it produces a succinct certificate of MVI infeasibility. We also show that deciding whether the Minty condition holds is $\mathsf{coNP}$-complete, thereby establishing that the disjunction of those two problems is polynomial-time solvable even though each problem is individually intractable. We provide several extensions and new applications of our main results. Most notably, we obtain the first polynomial-time algorithms for computing Nash equilibria in multi-player harmonic games. Finally, in two-player general-sum concave games, we give the first polynomial-time algorithm that outputs either a Nash equilibrium or a strict coarse correlated equilibrium.
Authors: Junhui Zhang, Patrick Jaillet
Abstract: We propose two variants of the Primal Dual Hybrid Gradient (PDHG) algorithm for saddle point problems with block decomposable duals, hereafter called Multi-Timescale PDHG (MT-PDHG) and its accelerated variant (AMT-PDHG). Through novel mixtures of Bregman divergence and multi-timescale extrapolations, our MT-PDHG and AMT-PDHG converge under arbitrary updating rates for different dual blocks while remaining fully deterministic and robust to extreme delays in dual updates. We further apply our (A)MT-PDHG, augmented with the gradient sliding techniques introduced in Lan et al. (2020), Lan (2016), to distributed optimization. The flexibility in choosing different updating rates for different blocks allows a more refined control over the communication rounds between different pairs of agents, thereby improving the efficiencies in settings with heterogeneity in local objectives and communication costs. Moreover, with careful choices of penalty levels, our algorithms show linear and thus optimal dependency on function similarities, a measure of how similar the gradients of local objectives are. This provides a positive answer to the open question whether such dependency is achievable for non-smooth objectives (Arjevani and Shamir 2015).
Authors: Abdullah All Tanvir, Frank Y. Shih, Xin Zhong
Abstract: This paper introduces a novel deep learning framework for robust image zero-watermarking based on distortion-invariant feature learning. As a zero-watermarking scheme, our method leaves the original image unaltered and learns a reference signature through optimization in the feature space. The proposed framework consists of two key modules. In the first module, a feature extractor is trained via noise-adversarial learning to generate representations that are both invariant to distortions and semantically expressive. This is achieved by combining adversarial supervision against a distortion discriminator and a reconstruction constraint to retain image content. In the second module, we design a learning-based multibit zero-watermarking scheme where the trained invariant features are projected onto a set of trainable reference codes optimized to match a target binary message. Extensive experiments on diverse image datasets and a wide range of distortions show that our method achieves state-of-the-art robustness in both feature stability and watermark recovery. Comparative evaluations against existing self-supervised and deep watermarking techniques further highlight the superiority of our framework in generalization and robustness.
Authors: Kay Giesecke, Enguerrand Horel, Chartsiri Jirachotkulthorn
Abstract: Machine learning is central to modern science, industry, and policy, yet its predictive power often comes at the cost of transparency: we rarely know which input features truly drive a model's predictions. Without such understanding, researchers cannot draw reliable conclusions, practitioners cannot ensure fairness or accountability, and policymakers cannot trust or govern model-based decisions. Existing tools for assessing feature influence are limited; most lack statistical guarantees, and many require costly retraining or surrogate modeling, making them impractical for large modern models. We introduce AICO, a broadly applicable framework that turns model interpretability into an efficient statistical exercise. AICO tests whether each feature genuinely improves predictive performance by masking its information and measuring the resulting change. The method provides exact, finite-sample feature p-values and confidence intervals for feature importance through a simple, non-asymptotic hypothesis testing procedure. It requires no retraining, surrogate modeling, or distributional assumptions, making it feasible for large-scale algorithms. In both controlled experiments and real applications, from credit scoring to mortgage-behavior prediction, AICO reliably identifies the variables that drive model behavior, providing a scalable and statistically principled path toward transparent and trustworthy machine learning.
Authors: Alex Markham, Isaac Hirsch, Jeri A. Chang, Liam Solus, Bryon Aragam
Abstract: In designing generative models, it is commonly believed that in order to learn useful latent structure, we face a fundamental tension between expressivity and structure. In this paper we challenge this view by proposing a new approach to training arbitrarily expressive generative models that simultaneously learn causally disentangled concepts. This is accomplished by adding a simple context module to an arbitrarily complex black-box model, which learns to process concept information by implicitly inverting linear representations from the model's encoder. Inspired by the notion of intervention in a causal model, our module selectively modifies its architecture during training, allowing it to learn a compact joint model over different contexts. We show how adding this module leads to causally disentangled representations that can be composed for out-of-distribution generation on both real and simulated data. The resulting models can be trained end-to-end or fine-tuned from pre-trained models. To further validate our proposed approach, we prove a new identifiability result that extends existing work on identifying structured representations.
Authors: David J Poland
Abstract: This paper presents a novel framework for pattern prediction and system prognostics centered on Spatiotemporal Permutation Entropy analysis integrated with Boosted Enhanced Quantile Regression Neural Networks (BEQRNNs). We address the challenge of understanding complex dynamical patterns in multidimensional systems through an approach that combines entropy-based complexity measures with advanced neural architectures. The system leverages dual computational stages: first implementing spatiotemporal entropy extraction optimized for multiscale temporal and spatial data streams, followed by an integrated BEQRNN layer that enables probabilistic pattern prediction with uncertainty quantification. This architecture achieves 81.17% accuracy in spatiotemporal pattern classification with prediction horizons up to 200 time steps and maintains robust performance across diverse regimes. Field testing across chaotic attractors, reaction-diffusion systems, and industrial datasets shows a 79% increase in critical transition detection accuracy and 81.22% improvement in long-term prediction reliability. The framework's effectiveness in processing complex, multimodal entropy features demonstrates significant potential for real-time prognostic applications.
Authors: Eoghan Cunningham, James Cross, Derek Greene
Abstract: The The use of Large language models (LLMs) to summarise parliamentary proceedings presents a promising means of increasing the accessibility of democratic participation. However, as these systems increasingly mediate access to political information -- filtering and framing content before it reaches users -- there are important fairness considerations to address. In this work, we evaluate 5 LLMs (both proprietary and open-weight) in the summarisation of plenary debates from the European Parliament to investigate the representational biases that emerge in this context. We develop an attribution-aware evaluation framework to measure speaker-level inclusion and mis-representation in debate summaries. Across all models and experiments, we find that speakers are less accurately represented in the final summary on the basis of (i) their speaking-order (speeches in the middle of the debate were systematically excluded), (ii) language spoken (non-English speakers were less faithfully represented), and (iii) political affiliations (better outcomes for left-of-centre parties). We further show how biases in these contexts can be decomposed to distinguish inclusion bias (systematic omission) from hallucination bias (systematic misrepresentation), and explore the effect of different mitigation strategies. Prompting strategies do not affect these biases. Instead, we propose a hierarchical summarisation method that decomposes the task into simpler extraction and aggregation steps, which we show significantly improves the positional/speaking-order bias across all models. These findings underscore the need for domain-sensitive evaluation metrics and ethical oversight in the deployment of LLMs for multilingual democratic applications.
Authors: Yunbum Kook, Santosh S. Vempala
Abstract: We study the zeroth-order query complexity of sampling from a general logconcave distribution: given access to an evaluation oracle for a convex function $V:\mathbb{R}^{d}\rightarrow\mathbb{R}\cup\{\infty\}$, output a point from a distribution within $\varepsilon$-distance to the density proportional to $e^{-V}$. A long line of work provides efficient algorithms for this problem in TV distance, assuming a pointwise warm start (i.e., in $\infty$-R\'enyi divergence), and using annealing to generate such a warm start. Here, we address the natural and more general problem of using a $q$-R\'enyi divergence warm start to generate a sample that is $\varepsilon$-close in $q$-R\'enyi divergence. Our first main result is an algorithm with this end-to-end guarantee with state-of-the-art complexity for $q=\widetilde{\Omega}(1)$. Our second result shows how to generate a $q$-R\'enyi divergence warm start directly via annealing, by maintaining $q$-R\'enyi divergence throughout, thereby obtaining a streamlined analysis and improved complexity. Such results were previously known only under the stronger assumptions of smoothness and access to first-order oracles. We also show a lower bound for Gaussian annealing by disproving a geometric conjecture about quadratic tilts of isotropic logconcave distributions. Central to our approach, we establish hypercontractivity of the heat adjoint and translate this into improved mixing time guarantees for the Proximal Sampler. The resulting analysis of both sampling and annealing follows a simplified and natural path, directly tying convergence rates to isoperimetric constants of the target distribution.
Authors: Dean Brandner, Sebastien Gros, Sergio Lucia
Abstract: Model predictive control (MPC) is widely used in process control due to its interpretability and ability to handle constraints. As a parametric policy in reinforcement learning (RL), MPC offers strong initial performance and low data requirements compared to black-box policies like neural networks. However, most RL methods rely on first-order updates, which scale well to large parameter spaces but converge at most linearly, making them inefficient when each policy update requires solving an optimal control problem, as is the case with MPC. While MPC policies are typically low parameterized and thus amenable to second-order approaches, existing second-order methods demand second-order policy derivatives, which can be computationally intractable. This work introduces a Gauss-Newton approximation of the deterministic policy Hessian that eliminates the need for second-order policy derivatives, enabling superlinear convergence with minimal computational overhead. To further improve robustness, we propose a momentum-based Hessian averaging scheme for stable training under noisy estimates coupled with an adaptive trustregion. We demonstrate the effectiveness of the approach on a nonlinear continuously stirred tank reactor (CSTR), showing faster convergence and improved data efficiency over state-of-the-art firstorder methods and deep RL approaches.
Authors: Ruiyu Zhang, Lin Nie, Xin Zhao
Abstract: Metric aggregation divergence is a hidden confound in agent-based model policy search: when optimization, tournament evaluation, and statistical validation independently implement outcome metric extraction, champion selection reflects aggregation artifact rather than policy quality. We propose Hierarchical Evolutionary Agent Simulation (HEAS), a composable framework that eliminates this confound through a runtime-enforceable metric contract - a uniform metrics_episode() callable shared identically by all pipeline stages. Removing the confound yields robust champion selection: in a controlled experiment (n=30), HEAS reduces rank reversals by 50% relative to ad-hoc aggregation; the HEAS champion wins all 32 held-out ecological scenarios - a null-safety result that would be uninterpretable under aggregation divergence. The contract additionally reduces coupling code by 97% (160 to 5 lines) relative to Mesa 3.3.1. Three case studies validate composability across ecological, enterprise, and mean-field ordinary differential equation dynamics.
Authors: Aida Kostikova, Ole P\"utz, Steffen Eger, Olga Sabelfeld, Benjamin Paassen
Abstract: Migration has been a core topic in German political debate, from the postwar displacement of millions of expellees to labor migration and recent refugee movements. Studying political speech across such wide-ranging phenomena in depth has traditionally required extensive manual annotation, limiting analysis to small subsets of the data. Large language models (LLMs) offer a potential way to overcome this constraint. Using a theory-driven annotation scheme, we examine how well LLMs annotate subtypes of solidarity and anti-solidarity in German parliamentary debates and whether the resulting labels support valid downstream inference. We first provide a comprehensive evaluation of multiple LLMs, analyzing the effects of model size, prompting strategies, fine-tuning, historical versus contemporary data, and systematic error patterns. We find that the strongest models, especially GPT-5 and gpt-oss-120B, achieve human-level agreement on this task, although their errors remain systematic and bias downstream results. To address this issue, we combine soft-label model outputs with Design-based Supervised Learning (DSL) to reduce bias in long-term trend estimates. Beyond the methodological evaluation, we interpret the resulting annotations from a social-scientific perspective to trace trends in solidarity and anti-solidarity toward migrants in postwar and contemporary Germany. Our approach shows relatively high levels of solidarity in the postwar period, especially in group-based and compassionate forms, and a marked rise in anti-solidarity since 2015, framed through exclusion, undeservingness, and resource burden. We argue that LLMs can support large-scale social-scientific text analysis, but only when their outputs are rigorously validated and statistically corrected.
Authors: Anjiang Wei, Tianran Sun, Tarun Suresh, Haoze Wu, Ke Wang, Alex Aiken
Abstract: Program verification relies on loop invariants, yet automatically discovering strong invariants remains a long-standing challenge. We investigate whether large language models (LLMs) can accelerate program verification by generating useful loop invariants. We introduce Quokka, an evaluation-oriented framework for LLM-based invariant synthesis that provides sound evaluation and achieves state-of-the-art performance. Unlike prior work that treats LLM outputs as noisy symbolic material requiring substantial post-processing, Quokka adopts a simpler and evaluation-centric design that directly validates whether each LLM-generated invariant helps prove the target assertion. We construct a benchmark of 866 instances derived from SV-COMP and evaluate 9 state-of-the-art LLMs across multiple model families. We demonstrate that supervised fine-tuning and Best-of-N sampling yield measurable improvements, and we show that Quokka consistently outperforms prior LLM-based verifiers. Our code and data are publicly available at https://github.com/Anjiang-Wei/Quokka
Authors: Daofu Zhang, Mehrdad Pournaderi, Hanne M. Clifford, Yu Xiang, Pramod K. Varshney
Abstract: This paper studies the adversarial robustness of conformal novelty detection. In particular, we focus on two powerful learning-based frameworks that come with finite-sample false discovery rate (FDR) control: one is AdaDetect (by Marandon et al., 2024) that is based on the positive-unlabeled classifier, and the other is a one-class classifier-based approach (by Bates et al., 2023). While they provide rigorous statistical guarantees under benign conditions, their behavior under adversarial perturbations remains underexplored. We first formulate an oracle attack setup, under the AdaDetect formulation, that quantifies the worst-case degradation of FDR, deriving an upper bound that characterizes the statistical cost of attacks. This idealized formulation directly motivates a practical and effective attack scheme that only requires query access to the output labels of both frameworks. Coupling these formulations with two popular and complementary black-box adversarial algorithms, we systematically evaluate the vulnerability of both frameworks on synthetic and real-world datasets. Our results show that adversarial perturbations can significantly increase the FDR while maintaining high detection power, exposing fundamental limitations of current error-controlled novelty detection methods and motivating the development of more robust alternatives.
Authors: Etienne Gauthier, Francis Bach, Michael I. Jordan
Abstract: Traditional conformal prediction methods construct prediction sets such that the true label falls within the set with a user-specified coverage level. However, poorly chosen coverage levels can result in uninformative predictions, either producing overly conservative sets when the coverage level is too high, or empty sets when it is too low. Moreover, the fixed coverage level cannot adapt to the specific characteristics of each individual example, limiting the flexibility and efficiency of these methods. In this work, we leverage recent advances in e-values and post-hoc conformal inference, which allow the use of data-dependent coverage levels while maintaining valid statistical guarantees. We propose to optimize an adaptive coverage policy by training a neural network using a leave-one-out procedure on the calibration set, allowing the coverage level and the resulting prediction set size to vary with the difficulty of each individual example. We support our approach with theoretical coverage guarantees and demonstrate its practical benefits through a series of experiments.
Authors: Hao Yan, Heyan Zhang, Yongyi Guo
Abstract: The rise of large-scale pretrained models has made it feasible to generate predictive or synthetic features at low cost, raising the question of how to incorporate such surrogate predictions into downstream decision-making. We study this problem in the setting of online linear contextual bandits, where contexts may be complex, nonstationary, and only partially observed. In addition to bandit data, we assume access to an auxiliary dataset containing fully observed contexts--common in practice since such data are collected without adaptive interventions. We propose PULSE-UCB, an algorithm that leverages pretrained models trained on the auxiliary data to impute missing features during online decision-making. We establish regret guarantees that decompose into a standard bandit term plus an additional component reflecting pretrained model quality. In the i.i.d. context case with H\"older-smooth missing features, PULSE-UCB achieves near-optimal performance, supported by matching lower bounds. Our results quantify how uncertainty in predicted contexts affects decision quality and how much historical data is needed to improve downstream learning.
Authors: Murad Dawood, Usama Ahmed Siddiquie, Shahram Khorshidi, Maren Bennewitz
Abstract: Safe reinforcement learning (RL) seeks to mitigate unsafe behaviors that arise from exploration during training by reducing constraint violations while maintaining task performance. Existing approaches typically rely on a single policy to jointly optimize reward and safety, which can cause instability due to conflicting objectives, or they use external safety filters that override actions and require prior system knowledge. In this paper, we propose a modular cost-aware regulator that scales the agent's actions based on predicted constraint violations, preserving exploration through smooth action modulation rather than overriding the policy. The regulator is trained to minimize constraint violations while avoiding degenerate suppression of actions. Our approach integrates seamlessly with off-policy RL methods such as SAC and TD3, and achieves state-of-the-art return-to-cost ratios on Safety Gym locomotion tasks with sparse costs, reducing constraint violations by up to 126 times while increasing returns by over an order of magnitude compared to prior methods.
Authors: Hongyu Zhu, Lin Chen, Xin Jin, Mingsheng Shang
Abstract: Multimodal Sentiment Analysis (MSA) integrates complementary features from text, video, and audio for robust emotion understanding in human interactions. However, models suffer from severe data scarcity and high annotation costs, severely limiting real-world deployment in social media analytics and human-computer systems. Existing Mixup-based augmentation techniques, when naively applied to MSA, often produce semantically inconsistent samples and amplified label noise by ignoring emotional semantics across modalities. To address these challenges, we propose MS-Mix, an adaptive emotion-sensitive augmentation framework that automatically optimizes data quality in multimodal settings. Its key components are: (1) Sentiment-aware sample selection strategy that filters incompatible pairs via latent-space semantic similarity to prevent contradictory emotion mixing. (2) Sentiment intensity guided module with multi-head self-attention for computing modality-specific mixing ratios conditioned on emotional salience dynamically. (3) Sentiment alignment loss based on Kullback-Leibler divergence to align predicted sentiment distributions across modalities with ground-truth labels, improving discrimination and consistency. Extensive experiments on two public datasets with six state-of-the-art backbones confirm that MS-Mix consistently outperforms prior methods, significantly improving robustness and practical applicability for MSA. The source code is available at an anonymous link: https://anonymous.4open.science/r/MS-Mix-review-0C72.
Authors: Dan Jacobellis, Mateen Ulhaq, Fabien Racap\'e, Hyomin Choi, Neeraja J. Yadwadkar
Abstract: Video comprises the vast majority of bits that are generated daily, and is the primary signal driving current innovations in robotics, remote sensing, and wearable technology. Yet, the most powerful video understanding models are too expensive for the resource-constrained platforms used in these applications. One approach is to offload inference to the cloud; this gives access to GPUs capable of processing high-resolution videos in real time. But even with reliable, high-bandwidth communication channels, the combined latency of video encoding, model inference, and round-trip communication prohibits use for certain real-time applications. The alternative is to use fully local inference; but this places extreme constraints on computational and power costs, requiring smaller models and lower resolution, leading to degraded accuracy. To address these challenges, we propose Dedelayed, a real-time inference system that divides computation between a remote model operating on delayed video frames and a local model with access to the current frame. The remote model is trained to make predictions on anticipated future frames, which the local model incorporates into its prediction for the current frame. The local and remote models are jointly optimized with an autoencoder that limits the transmission bitrate required by the available downlink communication channel. We evaluate Dedelayed on the task of real-time streaming video segmentation using the BDD100k driving dataset. For a round trip delay of 100 ms, Dedelayed improves performance by 6.4 mIoU compared to fully local inference and 9.8 mIoU compared to remote inference -- an equivalent improvement to using a model ten times larger. We release our training code, pretrained models, and python library at https://github.com/InterDigitalInc/dedelayed .
Authors: Elias Hossain, Mehrdad Shoeibi, Ivan Garibay, Niloofar Yousefi
Abstract: Interpreting gene clusters from RNA sequencing (RNA-seq) remains challenging, especially in antimicrobial resistance studies where mechanistic insight is important for hypothesis generation. Existing pathway enrichment methods can summarize co-expressed modules, but they often provide limited cluster-specific explanations and weak connections to supporting literature. We present BIOGEN, an evidence-grounded multi-agent framework for post hoc interpretation of RNA-seq transcriptional modules. BIOGEN combines biomedical retrieval, structured reasoning, and multi-critic verification to generate traceable cluster-level explanations with explicit evidence and confidence labels. On a primary Salmonella enterica dataset, BIOGEN achieved strong biological grounding, including BERTScore 0.689, Semantic Alignment Score 0.715, KEGG Functional Similarity 0.342, and a hallucination rate of 0.000, compared with 0.100 for an LLM-only baseline. Across four additional bacterial RNA-seq datasets, BIOGEN also maintained zero hallucination under the same fixed pipeline. In comparisons with representative open-source agentic AI baselines, BIOGEN was the only framework that consistently preserved zero hallucination across all five datasets. These findings suggest that retrieval alone is not enough for reliable biological interpretation, and that evidence-grounded orchestration is important for transparent and source-traceable transcriptomic reasoning.
Authors: Petr Pt\'a\v{c}ek, Paulina Lewandowska, Ryszard Kukulski
Abstract: We introduce the unambiguous quantum classifier based on Hamming distance measurements combined with classical post-processing. The proposed approach improves classification performance through a more effective use of ansatz expressivity, while requiring significantly fewer circuit evaluations. Moreover, the method demonstrates enhanced robustness to noise, which is crucial for near-term quantum devices. We evaluate the proposed method on a breast cancer classification dataset. The unambiguous classifier achieves an average accuracy of 90%, corresponding to an improvement of 6.9 percentage points over the baseline, while requiring eight times fewer circuit executions per prediction. In the presence of noise, the improvement is reduced to approximately 3.1 percentage points, with the same reduction in execution cost. We substantiate our experimental results with theoretical evidence supporting the practical performance of the approach.
Authors: Dachuan Zhao, Weiyue Li, Zhenda Shen, Yushu Qiu, Bowen Xu, Haoyu Chen, Yongchao Chen
Abstract: Vision-Language Models (VLMs) have become indispensable for multimodal reasoning, yet their representations often encode and amplify demographic biases, resulting in biased associations and misaligned predictions in downstream tasks. Such behavior undermines fairness and distorts the intended alignment between vision and language. Recent post-hoc approaches attempt to mitigate bias by replacing the most attribute-correlated embedding coordinates with neutral values. However, our systematic analysis reveals three critical limitations of this coordinate-wise approach: feature entanglement, poor cross-dataset generalization, and incomplete bias removal. We find that bias is not localized to a few coordinates but is instead distributed across a few linear subspaces. To address these limitations, we propose $\textbf{S}$ubspace $\textbf{P}$rojection $\textbf{D}$ebiasing ($\textbf{SPD}$), a geometrically principled framework that identifies and removes the entire subspace of linearly decodable bias while reinserting a neutral mean component to preserve semantic fidelity. Extensive experiments across zero-shot classification, text-to-image retrieval, and image generation validate the effectiveness of SPD: our method achieves more robust debiasing with an average improvement of $18.5\%$ across four fairness metrics, while maintaining minimal loss in task performance compared to the best debiasing baseline.
Authors: Sonia Laguna, Andrea Agostini, Alain Ryser, Samuel Ruiperez-Campillo, Irene Cannistraci, Moritz Vandenhirtz, Stephan Mandt, Nicolas Deperrois, Farhad Nooralahzadeh, Michael Krauthammer, Thomas M. Sutter, Julia E. Vogt
Abstract: Building robust medical machine learning systems requires pretraining strategies that exploit the intrinsic structure present in clinical data. We introduce Multiview Masked Autoencoder (MVMAE), a self-supervised framework that leverages the natural multi-view organization of radiology studies to learn view-invariant and disease-relevant representations. MVMAE combines masked image reconstruction with cross-view alignment, transforming clinical redundancy across projections into a powerful self-supervisory signal. We further extend this approach with MVMAE-V2T, which incorporates radiology reports as an auxiliary text-based learning signal to enhance semantic grounding while preserving fully vision-based inference. Evaluated on a downstream disease classification task on three large-scale public datasets, MIMIC-CXR, CheXpert, and PadChest, MVMAE consistently outperforms supervised and vision-language baselines. Furthermore, MVMAE-V2T provides additional gains, particularly in low-label regimes where structured textual supervision is most beneficial. Together, these results establish the importance of structural and textual supervision as complementary paths toward scalable, clinically grounded medical foundation models.
Authors: Yuang Geng, Zhuoyang Zhou, Zhongzheng Zhang, Siyuan Pan, Hoang-Dung Tran, Ivan Ruchkin
Abstract: Verifying closed-loop vision-based control systems remains a fundamental challenge due to the high dimensionality of images and the difficulty of modeling visual environments. While generative models are increasingly used as camera surrogates in verification, their reliance on stochastic latent variables introduces unnecessary overapproximation error. To address this bottleneck, we propose a Deterministic World Model (DWM) that maps system states directly to generative images, effectively eliminating uninterpretable latent variables to ensure precise input bounds. The DWM is trained with a dual-objective loss function that combines pixel-level reconstruction accuracy with a control difference loss to maintain behavioral consistency with the real system. We integrate DWM into a verification pipeline utilizing Star-based reachability analysis (StarV) and employ conformal prediction to derive rigorous statistical bounds on the trajectory deviation between the world model and the actual vision-based system. Experiments on standard benchmarks show that our approach yields significantly tighter reachable sets and better verification performance than a latent-variable baseline.
Authors: David M\"uller, Espen Knoop, Dario Mylonopoulos, Agon Serifi, Michael A. Hopkins, Ruben Grandia, Moritz B\"acher
Abstract: Animated characters often move in non-physical ways and have proportions that are far from a typical walking robot. This provides an ideal platform for innovation in both mechanical design and stylized motion control. In this paper, we bring Olaf to life in the physical world, relying on reinforcement learning guided by animation references for control. To create the illusion of Olaf's feet moving along his body, we hide two asymmetric legs under a soft foam skirt. To fit actuators inside the character, we use spherical and planar linkages in the arms, mouth, and eyes. Because the walk cycle results in harsh contact sounds, we introduce additional rewards that noticeably reduce impact noise. The large head, driven by small actuators in the character's slim neck, creates a risk of overheating, amplified by the costume. To keep actuators from overheating, we feed temperature values as additional inputs to policies, introducing new rewards to keep them within bounds. We validate the efficacy of our modeling in simulation and on hardware, demonstrating an unmatched level of believability for a costumed robotic character.
Authors: Irched Chafaa, Giacomo Bacci, Luca Sanguinetti
Abstract: Optimal AP clustering and power allocation are critical in user-centric cell-free massive MIMO systems. Existing deep learning models lack flexibility to handle dynamic network configurations. Furthermore, many approaches overlook pilot contamination and suffer from high computational complexity. In this paper, we propose a lightweight transformer model that overcomes these limitations by jointly predicting AP clusters and powers solely from spatial coordinates of user devices and AP. Our model is architecture-agnostic to users load, handles both clustering and power allocation without channel estimation overhead, and eliminates pilot contamination by assigning users to AP within a pilot reuse constraint. We also incorporate a customized linear attention mechanism to capture user-AP interactions efficiently and enable linear scalability with respect to the number of users. Numerical results confirm the model's effectiveness in maximizing the minimum spectral efficiency and providing near-optimal performance while ensuring adaptability and scalability in dynamic scenarios.
Authors: N. A. Adarsh Pritam, Jeba Shiney O, Sanyam Jain
Abstract: This work introduces SkinGenBench, a systematic biomedical imaging benchmark that investigates how preprocessing complexity interacts with generative model choice for synthetic dermoscopic image augmentation and downstream melanoma diagnosis. Using a curated dataset of $14,116$ dermoscopic images from HAM10000 and MILK10K across five lesion classes, we evaluate the two representative generative paradigms: StyleGAN2-ADA and Denoising Diffusion Probabilistic Models (DDPMs) under basic geometric augmentation and advanced artifact removal pipelines. Synthetic melanoma images are assessed using established perceptual and distributional metrics (FID, KID, IS), feature space analysis, and their impact on diagnostic performance across five downstream classifiers. Experimental results demonstrate that generative architecture choice has a stronger influence on both image fidelity and diagnostic utility than preprocessing complexity. StyleGAN2-ADA consistently produced synthetic images more closely aligned with real data distributions, achieving the lowest FID ($\approx 65.5$) and KID ($\approx 0.05$), while diffusion models generated higher variance samples at the cost of reduced perceptual fidelity and class anchoring. Advanced artifact removal yielded only marginal improvements in generative metrics and provided limited downstream diagnostic gains, suggesting possible suppression of clinically relevant texture cues. In contrast, synthetic data augmentation substantially improved melanoma detection with $8$-$15$\% absolute gains in melanoma F1-score, and ViT-B/16 achieving F1 $\approx 0.88$ and ROC-AUC $\approx 0.98$, representing an improvement of approximately $14\%$ over non-augmented baselines. Our code can be found at https://github.com/adarsh-crafts/SkinGenBench
Authors: Safal Thapaliya, Zehong Wang, Jiazheng Li, Ziming Li, Yanfang Ye, Chuxu Zhang
Abstract: Graph-structured data exhibit substantial heterogeneity in where their predictive signals originate: in some domains, node-level semantics dominate, while in others, structural patterns play a central role. This structure-semantics heterogeneity implies that no graph learning model with a fixed inductive bias can generalize optimally across diverse graph domains. However, most existing methods address this challenge from the model side by incrementally injecting new inductive biases, which remains fundamentally limited given the open-ended diversity of real-world graphs. In this work, we take a data-centric perspective and treat node semantics as a task-adaptive variable. We propose a Graph-Exemplar-guided Semantic Refinement (GES) framework for graph representation learning which -- unlike existing LLM-enhanced methods that generate node descriptions without graph context -- leverages structurally and semantically similar nodes from the graph itself to guide semantic refinement. Specifically, a GNN is first trained to produce predictive states, which along with structural and semantic similarity are used to retrieve in-graph exemplars that inform an LLM in refining node descriptions. We evaluate our approach on both text-rich and text-free graphs. Results show consistent improvements on semantics-rich and structure-dominated graphs, demonstrating the effectiveness of data-centric semantic refinement under structure-semantics heterogeneity.
Authors: Brandon Robinson
Abstract: Neural Network Field Theories (NN-FTs) typically describe Generalized Free Fields that lack a local stress-energy tensor in two dimensions, obstructing the realization of Virasoro symmetry. We present the ``Log-Kernel'' (LK) architecture, which enforces local conformal symmetry via a specific rotation-invariant spectral prior $p(k) \propto |k|^{-2}$. We analytically derive the emergence of the Virasoro algebra from the statistics of the neural ensemble. We validate this construction through numerical simulation, computing the central charge $c_{exp} = 0.9958 \pm 0.0196$ (theoretical $c=1$) and confirming the scaling dimensions of vertex operators. Furthermore, we demonstrate that finite-width corrections generate interactions scaling as $1/N$. Finally, we extend the framework to include fermions and boundary conditions, realizing the super-Virasoro algebra. We verify the $\mathcal{N}=1$ super-Virasoro algebra by measuring the supercurrent correlator to $96\%$ accuracy. We further demonstrate conformal boundary conditions on the upper half-plane, achieving 99\% agreement for boundary fermion and boson propagators.
Authors: Francisco Madaleno, Pratik Misra, Alex Markham
Abstract: Directed acyclic graphical (DAG) models are a powerful tool for representing causal relationships among jointly distributed random variables, especially concerning data from across different experimental settings. However, it is not always practical or desirable to estimate a causal model at the granularity of given features in a particular dataset. There is a growing body of research on causal abstraction to address such problems. We contribute to this line of research by (i) providing novel graphical identifiability results for practically-relevant interventional settings, (ii) proposing an efficient, provably consistent algorithm for directly learning abstract causal graphs from interventional data with unknown intervention targets, and (iii) uncovering theoretical insights about the lattice structure of the underlying search space, with connections to the field of causal discovery more generally. As proof of concept, we apply our algorithm on synthetic and real datasets with known ground truths, including measurements from a controlled physical system with interacting light intensity and polarization.
Authors: Fenglin Zhang, Jie Wang
Abstract: In this paper, we introduce a framework for contextual distributionally robust optimization (DRO) that considers the causal and continuous structure of the underlying distribution by developing interpretable and tractable decision rules that prescribe decisions using covariates. We first introduce the causal Sinkhorn discrepancy (CSD), an entropy-regularized causal Wasserstein distance that encourages continuous transport plans while preserving the causal consistency. We then formulate a contextual DRO model with a CSD-based ambiguity set, termed Causal Sinkhorn DRO (Causal-SDRO), and derive its strong dual reformulation where the worst-case distribution is characterized as a mixture of Gibbs distributions. To solve the corresponding infinite-dimensional policy optimization, we propose the Soft Regression Forest (SRF) decision rule, which approximates optimal policies within arbitrary measurable function spaces. The SRF preserves the interpretability of classical decision trees while being fully parametric, differentiable, and Lipschitz smooth, enabling intrinsic interpretation from both global and local perspectives. To solve the Causal-SDRO with parametric decision rules, we develop an efficient stochastic compositional gradient algorithm that converges to an $\varepsilon$-stationary point at a rate of $O(\varepsilon^{-4})$, matching the convergence rate of standard stochastic gradient descent. Finally, we validate our method through numerical experiments on synthetic and real-world datasets, demonstrating its superior performance and interpretability.
Authors: Mingyang Xie, Numair Khan, Tianfu Wang, Naina Dhingra, Seonghyeon Nam, Haitao Yang, Zhuo Hui, Christopher Metzler, Andrea Vedaldi, Hamed Pirsiavash, Lei Luo
Abstract: Given a monocular video, the goal of video re-rendering is to generate views of the scene from a novel camera trajectory. Existing methods face two distinct challenges. Geometrically unconditioned models lack spatial awareness, leading to drift and deformation under viewpoint changes. On the other hand, geometrically-conditioned models depend on estimated depth and explicit reconstruction, making them susceptible to depth inaccuracies and calibration errors. We propose to address these challenges by using the implicit geometric knowledge embedded in the latent space of a large 4D reconstruction model to condition the video generation process. These latents capture scene structure in a continuous space without explicit reconstruction. Therefore, they provide a flexible representation that allows the pretrained diffusion prior to regularize errors more effectively. By jointly conditioning on these latents and source camera poses, we demonstrate that our model achieves state-of-the-art results on the video re-rendering task. Project webpage is https://lavr-4d-scene-rerender.github.io/.
Authors: Spencer Compton, G\'abor Lugosi, Jaouad Mourtada, Jian Qian, Nikita Zhivotovskiy
Abstract: We study density estimation in Kullback-Leibler divergence: given an i.i.d. sample from an unknown density $p^\star$, the goal is to construct an estimator $\widehat{p}$ such that $\mathrm{KL}(p^\star,\widehat{p})$ is small with high probability. We consider two fundamental settings involving a finite dictionary of densities: (i) model aggregation, where $p^\star$ belongs to the dictionary, and (ii) convex aggregation (mixture density estimation), where $p^\star$ is a mixture of densities from the dictionary. Crucially, we make no assumption on the base densities: their ratios may be unbounded and their supports may differ. For both problems, we identify the best possible high-probability guarantees in terms of the dictionary size, sample size, and confidence level. These optimal rates are higher than those achievable when density ratios are bounded by absolute constants; for mixture density estimation, they match existing lower bounds in the special case of discrete distributions. Our analysis of the mixture case hinges on two new covering results. First, we provide a sharp, distribution-free upper bound on the local Hellinger entropy of the class of mixtures of $M$ distributions. Second, we prove an optimal ratio covering theorem for convex sets: for every convex compact set $K \subset \mathbb{R}_+^d$, there exists a subset $A \subset K$ with at most $2^{O(d)}$ elements such that each element of $K$ is coordinate-wise dominated by an element of $A$ up to a universal constant factor. This geometric result is of independent interest; notably, it yields new cardinality estimates for $\varepsilon$-approximate Pareto sets in multi-objective optimization with convex feasible set.
Authors: Ben Xue, Dan Liu, Lixiang Wang, Mingjie Sun, Peng Wang, Pengfei Zhang, Shaoyun Shi, Tianyu Xu, Yunhao Sha, Zhiqiang Liu, Bo Kong, Bo Wang, Hang Yang, Jieting Xue, Junhao Wang, Shengyu Wang, Shuping Hui, Wencai Ye, Xiao Lin, Yongzhi Li, Yuhang Chen, Zhihui Yin, Quan Chen, Shiyang Wen, Wenjin Wu, Han Li, Guorui Zhou, Changcheng Li, Peng Jiang, Kun Gai
Abstract: Generative recommendation has recently attracted widespread attention in industry due to its potential for scaling and stronger model capacity. However, deploying real-time generative recommendation in large-scale advertising requires designs beyond large-language-model (LLM)-style training and serving recipes. We present a production-oriented generative recommender co-designed across architecture, learning, and serving, named GR4AD (Generative Recommendation for ADdvertising). As for tokenization, GR4AD proposes UA-SID (Unified Advertisement Semantic ID) to capture complicated business information. Furthermore, GR4AD introduces LazyAR, a lazy autoregressive decoder that relaxes layer-wise dependencies for short, multi-candidate generation, preserving effectiveness while reducing inference cost, which facilitates scaling under fixed serving budgets. To align optimization with business value, GR4AD employs VSL (Value-Aware Supervised Learning) and proposes RSPO (Ranking-Guided Softmax Preference Optimization), a ranking-aware, list-wise reinforcement learning algorithm that optimizes value-based rewards under list-level metrics for continual online updates. For online inference, we further propose dynamic beam serving, which adapts beam width across generation levels and online load to control compute. Large-scale online A/B tests show up to 4.2% ad revenue improvement over an existing DLRM-based stack, with consistent gains from both model scaling and inference-time scaling. GR4AD has been fully deployed in Kuaishou advertising system with over 400 million users and achieves high-throughput real-time serving.
Authors: Jiacheng Wang, Yucheng Sheng, Le Liang, Hao Ye, Shi Jin
Abstract: This paper investigates the power control problem in wireless networks by repurposing pre-trained large language models (LLMs) as relational reasoning backbones. In hyper-connected interference environments, traditional optimization methods face high computational cost, while standard message passing neural networks suffer from aggregation bottlenecks that can obscure critical high-interference structures. In response, we propose PC-LLM, a physics-informed framework that augments a pre-trained LLM with an interference-aware attention bias. The proposed bias tuning mechanism injects the physical channel gain matrix directly into the self-attention scores, enabling explicit fusion of wireless topology with pre-trained relational priors without retraining the backbone from scratch. Extensive experiments demonstrate that PC-LLM consistently outperforms both traditional optimization methods and state-of-the-art graph neural network baselines, while exhibiting exceptional zero-shot generalization to unseen environments. We further observe that topology-relevant relational reasoning is concentrated in shallow layers, whereas deeper layers encode task-irrelevant semantic noise. Motivated by this finding, we develop a lightweight adaptation strategy that reduces model depth by 50%, significantly lowering inference cost while preserving state-of-the-art spectral efficiency.
Authors: Qitong Wang, Themis Palpanas
Abstract: A key operation for massive data series collection analysis is similarity search. According to recent studies, SAX-based indexes offer state-of-the-art performance for similarity search tasks. However, their performance lags under high-frequency, weakly correlated, excessively noisy, or other dataset-specific properties. In this work, we propose Deep Embedding Approximation (DEA), a novel family of data series summarization techniques based on deep neural networks. Moreover, we describe SEAnet, a novel architecture especially designed for learning DEA, that introduces the Sum of Squares preservation property into the deep network design. We further enhance SEAnet with SEAtrans encoder. Finally, we propose novel sampling strategies, SEAsam and SEAsamE, that allow SEAnet to effectively train on massive datasets. Comprehensive experiments on 7 diverse synthetic and real datasets verify the advantages of DEA learned using SEAnet in providing high-quality data series summarizations and similarity search results.
Authors: Abdulrahman Alswaidan, Jeffrey D. Varner
Abstract: Generating synthetic financial time series that preserve the statistical properties of real market data is essential for stress testing, risk model validation, and scenario design. Existing approaches struggle to simultaneously reproduce heavy-tailed distributions, negligible linear autocorrelation, and persistent volatility clustering. We developed a hybrid hidden Markov framework that discretized excess growth rates into Laplace quantile-defined states and augmented regime switching with a Poisson jump-duration mechanism to enforce realistic tail-state dwell times. Parameters were estimated by direct transition counting, bypassing the Baum-Welch EM algorithm and scaling to a 424-asset pipeline. Applied to ten years of daily equity data, the framework achieved high distributional pass rates both in-sample and out-of-sample while partially reproducing the volatility clustering that standard regime-switching models miss. No single model was best at everything: GARCH(1,1) better reproduced volatility clustering but failed distributional tests, while the standard HMM without jumps passed more distributional tests but could not generate volatility clustering. The proposed framework delivered the most balanced performance overall. For multi-asset generation, copula-based dependence models that preserved each asset's marginal HMM distribution substantially outperformed a Single-Index Model factor baseline on both per-asset distributional accuracy and correlation reproduction.
Authors: Minsak Nanang, Adrian Hilton, Armin Mustafa
Abstract: Audiovisual (AV) archives in museums and galleries are growing rapidly, but much of this material remains effectively locked away because it lacks consistent, searchable metadata. Existing method for archiving requires extensive manual effort. We address this by automating the most labour intensive part of the workflow: catalogue style metadata curation for in gallery video, grounded in an existing collection database. Concretely, we propose catalogue-grounded multimodal attribution for museum AV content using an open, locally deployable video language model. We design a multi pass pipeline that (i) summarises artworks in a video, (ii) generates catalogue style descriptions and genre labels, and (iii) attempts to attribute title and artist via conservative similarity matching to the structured catalogue. Early deployments on a painting catalogue suggest that this framework can improve AV archive discoverability while respecting resource constraints, data sovereignty, and emerging regulation, offering a transferable template for application-driven machine learning in other high-stakes domains.
Authors: Yulin Li, Tengyao Tu, Li Ding, Junjie Wang, Huiling Zhen, Yixin Chen, Yong Li, Zhuotao Tian
Abstract: Large Reasoning Models (LRMs) have shown remarkable reasoning capabilities, yet they often suffer from overthinking, expending redundant computational steps on simple problems, or underthinking, failing to explore sufficient reasoning paths despite inherent capabilities. These issues lead to inefficiencies and potential inaccuracies, limiting practical deployment in resource-constrained settings. Existing methods to mitigate overthinking, such as suppressing reflective keywords or adjusting reasoning length, may inadvertently induce underthinking, compromising accuracy. Therefore, we propose ReBalance, a training-free framework that achieves efficient reasoning with balanced thinking. ReBalance leverages confidence as a continuous indicator of reasoning dynamics, identifying overthinking through high confidence variance and underthinking via consistent overconfidence. By aggregating hidden states from a small-scale dataset into reasoning mode prototypes, we compute a steering vector to guide LRMs' reasoning trajectories. A dynamic control function modulates this vector's strength and direction based on real-time confidence, pruning redundancy during overthinking, and promoting exploration during underthinking. Extensive experiments conducted on four models ranging from 0.5B to 32B, and across nine benchmarks in math reasoning, general question answering, and coding tasks demonstrate that ReBalance effectively reduces output redundancy while improving accuracy, offering a general, training-free, and plug-and-play strategy for efficient and robust LRM deployment. Project page and code are available at https://rebalance-ai.github.io .
Authors: Amos Goldman (NVIDIA Corporation), Nimrod Boker (NVIDIA Corporation), Maayan Sheraizin (NVIDIA Corporation), Nimrod Admoni (NVIDIA Corporation), Artem Polyakov (NVIDIA Corporation), Subhadeep Bhattacharya (NVIDIA Corporation), Fan Yu (NVIDIA Corporation), Kai Sun (NVIDIA Corporation), Georgios Theodorakis (NVIDIA Corporation), Hsin-Chun Yin (NVIDIA Corporation), Peter-Jan Gootzen (NVIDIA Corporation), Aamir Shafi (NVIDIA Corporation), Assaf Ravid (NVIDIA Corporation), Salvatore Di Girolamo (NVIDIA Corporation), James Dinan (NVIDIA Corporation), Xiaofan Li (NVIDIA Corporation), Manjunath Gorentla Venkata (NVIDIA Corporation), Gil Bloch (NVIDIA Corporation)
Abstract: Mixture-of-Experts (MoE) architectures have become essential for scaling large language models, driving the development of specialized device-initiated communication libraries such as DeepEP, Hybrid-EP, and others. These libraries demonstrate the performance benefits of GPU-initiated RDMA for MoE dispatch and combine operations. This paper presents NCCL EP (Expert Parallelism), a ground-up MoE communication library built entirely on NCCL's Device API. NCCL EP provides unified ncclEpDispatch and ncclEpCombine primitives with both C and Python interfaces, supporting Low-Latency (LL) mode for inference decoding and High-Throughput (HT) mode for training and inference prefill. LL targets small batch sizes (1-128 tokens) using direct all-to-all RDMA+NVLink mesh connectivity with double-buffered communication for overlapping dispatch and combine phases. HT targets large batches (4096+ tokens) using hierarchical communication that aggregates tokens within NVLink domains before inter-node RDMA transmission. Both modes leverage Device API for both intra- and inter-node communications, taking advantage of its topology awareness and optimized GPU-initiated implementation. We evaluate NCCL EP on an H100-based cluster across multi-node configurations, demonstrating competitive LL kernel performance and presenting end-to-end results with vLLM integration. By building MoE communication natively within NCCL, NCCL EP provides a supported path for expert parallelism on current and emerging NVIDIA platforms.
Authors: Jun Liu, Pu Zhao, Zhenglun Kong, Xuan Shen, Peiyan Dong, Fan Yang, Lin Cui, Hao Tang, Geng Yuan, Wei Niu, Wenbin Zhang, Xue Lin, Gaowen Liu, Yanzhi Wang, Dong Huang
Abstract: Embodied robotic systems increasingly rely on large language model (LLM)-based agents to support high-level reasoning, planning, and decision-making during interactions with the environment. However, invoking LLM reasoning introduces substantial computational latency and resource overhead, which can interrupt action execution and reduce system reliability. Excessive reasoning may delay actions, while insufficient reasoning often leads to incorrect decisions and task failures. This raises a fundamental question for embodied agents: when should the agent reason, and when should it act? In this work, we propose RARRL (Resource-Aware Reasoning via Reinforcement Learning), a hierarchical framework for resource-aware orchestration of embodied agents. Rather than learning low-level control policies, RARRL learns a high-level orchestration policy that operates at the agent's decision-making layer. This policy enables the agent to adaptively determine whether to invoke reasoning, which reasoning role to employ, and how much computational budget to allocate based on current observations, execution history, and remaining resources. Extensive experiments, including evaluations with empirical latency profiles derived from the ALFRED benchmark, show that RARRL consistently improves task success rates while reducing execution latency and enhancing robustness compared with fixed or heuristic reasoning strategies. These results demonstrate that adaptive reasoning control is essential for building reliable and efficient embodied robotic agents.
Authors: Guoan Wang, Shihao Yang, Jun-en Ding, Hao Zhu, Feng Liu
Abstract: Electroencephalography (EEG) provides a non-invasive window into neural dynamics at high temporal resolution and plays a pivotal role in clinical neuroscience research. Despite this potential, prevailing computational approaches to EEG analysis remain largely confined to task-specific classification objectives or coarse-grained pattern recognition, offering limited support for clinically meaningful interpretation. To address these limitations, we introduce NeuroNarrator, the first generalist EEG-to-text foundation model designed to translate electrophysiological segments into precise clinical narratives. A cornerstone of this framework is the curation of NeuroCorpus-160K, the first harmonized large-scale resource pairing over 160,000 EEG segments with structured, clinically grounded natural-language descriptions. Our architecture first aligns temporal EEG waveforms with spatial topographic maps via a rigorous contrastive objective, establishing spectro-spatially grounded representations. Building on this grounding, we condition a Large Language Model through a state-space-inspired formulation that integrates historical temporal and spectral context to support coherent clinical narrative generation. This approach establishes a principled bridge between continuous signal dynamics and discrete clinical language, enabling interpretable narrative generation that facilitates expert interpretation and supports clinical reporting workflows. Extensive evaluations across diverse benchmarks and zero-shot transfer tasks highlight NeuroNarrator's capacity to integrate temporal, spectral, and spatial dynamics, positioning it as a foundational framework for time-frequency-aware, open-ended clinical interpretation of electrophysiological data.
Authors: Narjes Ansari, C\'esar Feniou, Nicola\"i Gouraud, Daniele Loco, Siwar Badreddine, Baptiste Claudon, F\'elix Aviat, Marharyta Blazhynska, Kevin Gasperich, Guillaume Michel, Diata Traore, Corentin Villot, Thomas Pl\'e, Olivier Adjoua, Louis Lagard\`ere, Jean-Philip Piquemal
Abstract: Integrating quantum mechanics into drug discovery marks a decisive shift from empirical trial-and-error toward quantitative precision. However, the prohibitive cost of ab initio molecular dynamics has historically forced a compromise between chemical accuracy and computational scalability. This paper identifies the convergence of High-Performance Computing (HPC), Machine Learning (ML), and Quantum Computing (QC) as the definitive solution to this bottleneck. While ML foundation models, such as FeNNix-Bio1, enable quantum-accurate simulations, they remain tethered to the inherent limits of classical data generation. We detail how High-Performance Quantum Computing (HPQC), utilizing hybrid QPU-GPU architectures, will serve as the ultimate accelerator for quantum chemistry data. By leveraging Hilbert space mapping, these systems can achieve true chemical accuracy while bypassing the heuristics of classical approximations. We show how this tripartite convergence optimizes the drug discovery pipeline, spanning from initial system preparation to ML-driven, high-fidelity simulations. Finally, we position quantum-enhanced sampling as the beyond GPU frontier for modeling reactive cellular systems and pioneering next-generation materials.
Authors: Panagiota Birmpa (Heriot--Watt University, Maxwell Institute for Mathematical Sciences), Eric Joseph Hall (Heriot--Watt University, Maxwell Institute for Mathematical Sciences)
Abstract: We study adversarial learning when the target distribution factorizes according to a known Bayesian network. For interpolative divergences, including $(f,\Gamma)$-divergences, we prove a new infimal subadditivity principle showing that, under suitable conditions, a global variational discrepancy is controlled by an average of family-level discrepancies aligned with the graph. In an additive regime, the surrogate is exact. This closes a theoretical gap in the literature; existing subadditivity results justify graph-informed adversarial learning for classical discrepancies, but not for interpolative divergences, where the usual factorization argument breaks down. In turn, we provide a justification for replacing a standard, graph-agnostic GAN with a monolithic discriminator by a graph-informed GAN (GiGAN) with localized family-level discriminators, without requiring the optimizer itself to factorize according to the graph. We also obtain parallel results for integral probability metrics and proximal optimal transport divergences, identify natural discriminator classes for which the theory applies, and present experiments showing improved stability and structural recovery relative to graph-agnostic baselines.
Authors: Edoardo Calvello, Elizabeth Carlson, Nikola Kovachki, Michael N. Manta, Andrew M. Stuart
Abstract: Machine learning has opened new frontiers in purely data-driven algorithms for data assimilation in, and for forecasting of, dynamical systems; the resulting methods are showing some promise. However, in contrast to model-driven algorithms, analysis of these data-driven methods is poorly developed. In this paper we address this issue, developing a theory to underpin data-driven methods to solve smoothing problems arising in data assimilation and forecasting problems. The theoretical framework relies on two key components: (i) establishing the existence of the mapping to be learned; (ii) the properties of the operator learning architecture used to approximate this mapping. By studying these two components in conjunction, we establish novel universal approximation theorems for purely data driven algorithms for both smoothing and forecasting of dynamical systems. We work in the continuous time setting, hence deploying neural operator architectures. The theoretical results are illustrated with experiments studying the Lorenz `63, Lorenz `96 and Kuramoto-Sivashinsky dynamical systems.
Authors: Lisan Al Amin, Md Ismail Hossain, Rupak Kumar Das, Mahbubul Islam, Abdulaziz Tabbakh
Abstract: The exponential growth in data has intensified the demand for computational power to train large-scale deep learning models. However, the rapid growth in model size and complexity raises concerns about equal and fair access to computational resources, particularly under increasing energy and infrastructure constraints. GPUs have emerged as essential for accelerating such workloads. This study benchmarks four deep learning models (Conv6, VGG16, ResNet18, CycleGAN) using TensorFlow and PyTorch on Intel Xeon CPUs and NVIDIA Tesla T4 GPUs. Our experiments demonstrate that, on average, GPU training achieves speedups ranging from 11x to 246x depending on model complexity, with lightweight models (Conv6) showing the highest acceleration (246x), mid-sized models (VGG16, ResNet18) achieving 51-116x speedups, and complex generative models (CycleGAN) reaching 11x improvements compared to CPU training. Additionally, in our PyTorch vs. TensorFlow comparison, we observed that TensorFlow's kernel-fusion optimizations reduce inference latency by approximately 15%. We also analyze GPU memory usage trends and projecting requirements through 2025 using polynomial regression. Our findings highlight that while GPUs are essential for sustaining AI's growth, democratized and shared access to GPU resources is critical for enabling research innovation across institutions with limited computational budgets.
Authors: Jingzhi Fang, Xiong Gao, Renwei Zhang, Zichun Ye, Lei Chen, Jie Zhao, Chengnuo Huang, Hui Xu, Xuefeng Jin
Abstract: Dynamism is common in AI computation, e.g., the dynamic tensor shapes and the dynamic control flows in models. Due to the long compilation time, existing runtime compilation damages the model efficiency, while the offline compilers either suffer from the long compilation time and device memory footprint to cover all the possible execution instances of a dynamic model, or sacrifice optimization opportunities for usability. In this paper, we rethink the feasibility of runtime compilation for dynamic models and identify that the key for it to work is to speed up the compilation or hide the compilation overhead. To do this, we propose a real-time compiler, DVM. In DVM, we design a runtime operator compiler based on a bytecode virtual machine to perform effective and efficient compilation for each dynamic operator instance given its input. Specifically, instead of compiling programs into machine code, we encode the operator program into bytecode on the CPU and decode the bytecode into virtual instructions for direct execution on the NPU. Based on the runtime operator compiler, we further propose an operator fuser, which performs symbol-deduction-based fusion on static graphs and runtime fusion on dynamic graphs. Both pattern- and stacking-based fusion are supported to increase fusion opportunities. Evaluation on operators, subgraphs, and models shows that, compared with TorchInductor, PyTorch-eager and MindSpore-graph-O0, we are up to 11.77$\times$ better in terms of the operator/model efficiency and up to 5 orders of magnitude faster in terms of the maximum compilation time.
Authors: Mingmeng Geng, Yuhang Dong, Thierry Poibeau
Abstract: Through an analysis of arXiv papers, we report several shifts in word usage that are likely driven by large language models (LLMs) but have not previously received sufficient attention, such as the increased frequency of "beyond" and "via" in titles and the decreased frequency of "the" and "of" in abstracts. Due to the similarities among different LLMs, experiments show that current classifiers struggle to accurately determine which specific model generated a given text in multi-class classification tasks. Meanwhile, variations across LLMs also result in evolving patterns of word usage in academic papers. By adopting a direct and highly interpretable linear approach and accounting for differences between models and prompts, we quantitatively assess these effects and show that real-world LLM usage is heterogeneous and dynamic.
Authors: Yu Zhang, Karl Mason
Abstract: Robotic manipulation remains challenging for reinforcement learning due to contact-rich dynamics, long horizons, and training instability. Although off-policy actor-critic algorithms such as SAC and TD3 perform well in simulation, they often suffer from policy oscillations and performance collapse in realistic settings, partly due to experience replay strategies that ignore the differing data requirements of the actor and the critic. We propose D-SPEAR: Dual-Stream Prioritized Experience Adaptive Replay, a replay framework that decouples actor and critic sampling while maintaining a shared replay buffer. The critic leverages prioritized replay for efficient value learning, whereas the actor is updated using low-error transitions to stabilize policy optimization. An adaptive anchor mechanism balances uniform and prioritized sampling based on the coefficient of variation of TD errors, and a Huber-based critic objective further improves robustness under heterogeneous reward scales. We evaluate D-SPEAR on challenging robotic manipulation tasks from the robosuite benchmark, including Block-Lifting and Door-Opening. Results demonstrate that D-SPEAR consistently outperforms strong off-policy baselines, including SAC, TD3, and DDPG, in both final performance and training stability, with ablation studies confirming the complementary roles of the actorside and critic-side replay streams.
Authors: Zhiyuan Peng, Xuyang Wu, Huaixiao Tou, Yi Fang, Yu Gong
Abstract: LLM-based shopping agents increasingly rely on long purchase histories and multi-turn interactions for personalization, yet naively appending raw history to prompts is often ineffective due to noise, length, and relevance mismatch. We propose MemRerank, a preference memory framework that distills user purchase history into concise, query-independent signals for personalized product reranking. To study this problem, we build an end-to-end benchmark and evaluation framework centered on an LLM-based \textbf{1-in-5} selection task, which measures both memory quality and downstream reranking utility. We further train the memory extractor with reinforcement learning (RL), using downstream reranking performance as supervision. Experiments with two LLM-based rerankers show that MemRerank consistently outperforms no-memory, raw-history, and off-the-shelf memory baselines, yielding up to \textbf{+10.61} absolute points in 1-in-5 accuracy. These results suggest that explicit preference memory is a practical and effective building block for personalization in agentic e-commerce systems.
Authors: Xue Jiang, Tianyu Zhang, Ge Li, Mengyang Liu, Taozhi Chen, Zhenhua Xu, Binhua Li, Wenpin Jiao, Zhi Jin, Yongbin Li, Yihong Dong
Abstract: Recent advances in reasoning Large Language Models (LLMs) have primarily relied on upfront thinking, where reasoning occurs before final answer. However, this approach suffers from critical limitations in code generation, where upfront thinking is often insufficient as problems' full complexity only reveals itself during code implementation. Moreover, it cannot adaptively allocate reasoning effort throughout the code generation process where difficulty varies significantly. In this paper, we propose Think-Anywhere, a novel reasoning mechanism that enables LLMs to invoke thinking on-demand at any token position during code generation. We achieve Think-Anywhere by first teaching LLMs to imitate the reasoning patterns through cold-start training, then leveraging outcome-based RL rewards to drive the model's autonomous exploration of when and where to invoke reasoning. Extensive experiments on four mainstream code generation benchmarks (i.e., LeetCode, LiveCodeBench, HumanEval, and MBPP) show that Think-Anywhere achieves state-of-the-art performance over both existing reasoning methods and recent post-training approaches, while demonstrating consistent generalization across diverse LLMs. Our analysis further reveals that Think-Anywhere enables the model to adaptively invoke reasoning at high-entropy positions, providing enhanced interpretability.
Authors: Simone Betteti, Luca Laurenti
Abstract: Energy-based models (EBMs) implement inference as gradient descent on a learned Lyapunov function, yielding interpretable, structure-preserving alternatives to black-box neural ODEs and aligning naturally with physical AI. Yet their use in system identification remains limited, and existing architectures lack formal stability guarantees that globally preclude unstable modes. We address this gap by introducing an EBM framework for system identification with stable, dissipative, absorbing invariant dynamics. Unlike classical global Lyapunov stability, absorbing invariance expands the class of stability-preserving architectures, enabling more flexible and expressive EBMs. We extend EBM theory to nonsmooth activations by establishing negative energy dissipation via Clarke derivatives and deriving new conditions for radial unboundedness, exposing a stability-expressivity tradeoff in standard EBMs. To overcome this, we introduce a hybrid architecture with a dynamical visible layer and static hidden layers, prove absorbing invariance under mild assumptions, and show that these guarantees extend to port-Hamiltonian EBMs. Experiments on metric-deformed multi-well and ring systems validate the approach, showcasing how our hybrid EBM architecture combines expressivity with sound and provable safety guarantees by design.
Authors: Zhengyang Tang, Ke Ji, Xidong Wang, Zihan Ye, Xinyuan Wang, Yiduo Guo, Ziniu Li, Chenxin Li, Jingyuan Hu, Shunian Chen, Tongxu Luo, Jiaxi Bi, Zeyu Qin, Shaobo Wang, Xin Lai, Pengyuan Lyu, Junyi Li, Can Xu, Chengquan Zhang, Han Hu, Ming Yan, Benyou Wang
Abstract: We study whether phone-use agents respect privacy while completing benign mobile tasks. This question has remained hard to answer because privacy-compliant behavior is not operationalized for phone-use agents, and ordinary apps do not reveal exactly what data agents type into which form entries during execution. To make this question measurable, we introduce MyPhoneBench, a verifiable evaluation framework for privacy behavior in mobile agents. We operationalize privacy-respecting phone use as permissioned access, minimal disclosure, and user-controlled memory through a minimal privacy contract, iMy, and pair it with instrumented mock apps plus rule-based auditing that make unnecessary permission requests, deceptive re-disclosure, and unnecessary form filling observable and reproducible. Across five frontier models on 10 mobile apps and 300 tasks, we find that task success, privacy-compliant task completion, and later-session use of saved preferences are distinct capabilities, and no single model dominates all three. Evaluating success and privacy jointly reshuffles the model ordering relative to either metric alone. The most persistent failure mode across models is simple data minimization: agents still fill optional personal entries that the task does not require. These results show that privacy failures arise from over-helpful execution of benign tasks, and that success-only evaluation overestimates the deployment readiness of current phone-use agents. All code, mock apps, and agent trajectories are publicly available at~ https://github.com/FreedomIntelligence/MyPhoneBench.