Authors: Svetlana Churina, Niranjan Chebrolu, Kokil Jaidka
Abstract: Large language models (LLMs) continually evolve through pre-training on ever-expanding web data, but this adaptive process also exposes them to subtle forms of misinformation. While prior work has explored data poisoning during static pre-training, the effects of such manipulations under continual pre-training remain largely unexplored. Drawing inspiration from the illusory truth effect in human cognition - where repeated exposure to falsehoods increases belief in their accuracy - we ask whether LLMs exhibit a similar vulnerability. We investigate whether repeated exposure to false but confidently stated facts can shift a model's internal representation away from the truth. We introduce Layer of Truth, a framework and dataset for probing belief dynamics in continually trained LLMs. By injecting controlled amounts of poisoned data and probing intermediate representations across checkpoints, model scales, and question types, we quantify when and how factual beliefs shift. Our findings reveal that even minimal exposure can induce persistent representational drift in well-established facts, with susceptibility varying across layers and model sizes. These results highlight an overlooked vulnerability of continually updated LLMs: their capacity to internalize misinformation analogously to humans, underscoring the need for robust monitoring of factual integrity during model updates.
Authors: Guangzhi Su, Shuchang Huang, Yutong Ke, Zhuohang Liu, Long Qian, Kaizhu Huang
Abstract: Multimodal large language models (MLLMs) have achieved impressive performance across diverse tasks by jointly reasoning over textual and visual inputs. Despite their success, these models remain highly vulnerable to adversarial manipulations, raising concerns about their safety and reliability in deployment. In this work, we first generalize an approach for generating adversarial images within the HuggingFace ecosystem and then introduce SmoothGuard, a lightweight and model-agnostic defense framework that enhances the robustness of MLLMs through randomized noise injection and clustering-based prediction aggregation. Our method perturbs continuous modalities (e.g., images and audio) with Gaussian noise, generates multiple candidate outputs, and applies embedding-based clustering to filter out adversarially influenced predictions. The final answer is selected from the majority cluster, ensuring stable responses even under malicious perturbations. Extensive experiments on POPE, LLaVA-Bench (In-the-Wild), and MM-SafetyBench demonstrate that SmoothGuard improves resilience to adversarial attacks while maintaining competitive utility. Ablation studies further identify an optimal noise range (0.1-0.2) that balances robustness and utility.
Authors: Kangkang Sun, Jun Wu, Minyi Guo, Jianhua Li, Jianwei Huang
Abstract: Federated Learning (FL) enables collaborative model training without data sharing, yet participants face a fundamental challenge, e.g., simultaneously ensuring fairness across demographic groups while protecting sensitive client data. We introduce a differentially private fair FL algorithm (\textit{FedPF}) that transforms this multi-objective optimization into a zero-sum game where fairness and privacy constraints compete against model utility. Our theoretical analysis reveals a surprising inverse relationship, i.e., stricter privacy protection fundamentally limits the system's ability to detect and correct demographic biases, creating an inherent tension between privacy and fairness. Counterintuitively, we prove that moderate fairness constraints initially improve model generalization before causing performance degradation, where a non-monotonic relationship that challenges conventional wisdom about fairness-utility tradeoffs. Experimental validation demonstrates up to 42.9 % discrimination reduction across three datasets while maintaining competitive accuracy, but more importantly, reveals that the privacy-fairness tension is unavoidable, i.e., achieving both objectives simultaneously requires carefully balanced compromises rather than optimization of either in isolation. The source code for our proposed algorithm is publicly accessible at https://github.com/szpsunkk/FedPF.
Authors: Zhiyuan Ning, Jiawei Shao, Ruge Xu, Xinfei Guo, Jun Zhang, Chi Zhang, Xuelong Li
Abstract: Speculative decoding has become a widely adopted as an effective technique for lossless inference acceleration when deploying large language models (LLMs). While on-the-fly self-speculative methods offer seamless integration and broad utility, they often fall short of the speed gains achieved by methods relying on specialized training. Cascading a hierarchy of draft models promises further acceleration and flexibility, but the high cost of training multiple models has limited its practical application. In this paper, we propose a novel Cascade Adaptive Self-Speculative Decoding (CAS-Spec) method which constructs speculative draft models by leveraging dynamically switchable inference acceleration (DSIA) strategies, including layer sparsity and activation quantization. Furthermore, traditional vertical and horizontal cascade algorithms are inefficient when applied to self-speculative decoding methods. We introduce a Dynamic Tree Cascade (DyTC) algorithm that adaptively routes the multi-level draft models and assigns the draft lengths, based on the heuristics of acceptance rates and latency prediction. Our CAS-Spec method achieves state-of-the-art acceleration compared to existing on-the-fly speculative decoding methods, with an average speedup from $1.1\times$ to $2.3\times$ over autoregressive decoding across various LLMs and datasets. DyTC improves the average speedup by $47$\% and $48$\% over cascade-based baseline and tree-based baseline algorithms, respectively. CAS-Spec can be easily integrated into most existing LLMs and holds promising potential for further acceleration as self-speculative decoding techniques continue to evolve.
Authors: Mahsa Valizadeh, Rui Tuo, James Caverlee
Abstract: Generative Adversarial Networks (GANs) are proficient at generating synthetic data but continue to suffer from mode collapse, where the generator produces a narrow range of outputs that fool the discriminator but fail to capture the full data distribution. This limitation is particularly problematic, as generative models are increasingly deployed in real-world applications that demand both diversity and uncertainty awareness. In response, we introduce BI-DCGAN, a Bayesian extension of DCGAN that incorporates model uncertainty into the generative process while maintaining computational efficiency. BI-DCGAN integrates Bayes by Backprop to learn a distribution over network weights and employs mean-field variational inference to efficiently approximate the posterior distribution during GAN training. We establishes the first theoretical proof, based on covariance matrix analysis, that Bayesian modeling enhances sample diversity in GANs. We validate this theoretical result through extensive experiments on standard generative benchmarks, demonstrating that BI-DCGAN produces more diverse and robust outputs than conventional DCGANs, while maintaining training efficiency. These findings position BI-DCGAN as a scalable and timely solution for applications where both diversity and uncertainty are critical, and where modern alternatives like diffusion models remain too resource-intensive.
Authors: Crystal Su, Kuai Yu, Jingrui Zhang, Mingyuan Shao, Daniel Bauer
Abstract: This work presents an ontology-integrated large language model (LLM) framework for chemical engineering that unites structured domain knowledge with generative reasoning. The proposed pipeline aligns model training and inference with the COPE ontology through a sequence of data acquisition, semantic preprocessing, information extraction, and ontology mapping steps, producing templated question-answer pairs that guide fine-tuning. A control-focused decoding stage and citation gate enforce syntactic and factual grounding by constraining outputs to ontology-linked terms, while evaluation metrics quantify both linguistic quality and ontological accuracy. Feedback and future extensions, including semantic retrieval and iterative validation, further enhance the system's interpretability and reliability. This integration of symbolic structure and neural generation provides a transparent, auditable approach for applying LLMs to process control, safety analysis, and other critical engineering contexts.
Authors: Kshitij Nikhal, Luke Ackerknecht, Benjamin S. Riggan, Phil Stahlfeld
Abstract: The decarbonization of transportation relies on the widespread adoption of electric vehicles (EVs), which requires an accurate understanding of charging behavior to ensure cost-effective, grid-resilient infrastructure. Existing work is constrained by small-scale datasets, simple proximity-based modeling of temporal dependencies, and weak generalization to sites with limited operational history. To overcome these limitations, this work proposes a framework that integrates clustering with few-shot forecasting to uncover site archetypes using a novel large-scale dataset of charging demand. The results demonstrate that archetype-specific expert models outperform global baselines in forecasting demand at unseen sites. By establishing forecast performance as a basis for infrastructure segmentation, we generate actionable insights that enable operators to lower costs, optimize energy and pricing strategies, and support grid resilience critical to climate goals.
Authors: Zimeng Huang, Jinxin Ke, Xiaoxuan Fan, Yufeng Yang, Yang Liu, Liu Zhonghan, Zedi Wang, Junteng Dai, Haoyi Jiang, Yuyu Zhou, Keze Wang, Ziliang Chen
Abstract: Large Vision-Language Models (LVLMs) have exhibited remarkable progress. However, deficiencies remain compared to human intelligence, such as hallucination and shallow pattern matching. In this work, we aim to evaluate a fundamental yet underexplored intelligence: association, a cornerstone of human cognition for creative thinking and knowledge integration. Current benchmarks, often limited to closed-ended tasks, fail to capture the complexity of open-ended association reasoning vital for real-world applications. To address this, we present MM-OPERA, a systematic benchmark with 11,497 instances across two open-ended tasks: Remote-Item Association (RIA) and In-Context Association (ICA), aligning association intelligence evaluation with human psychometric principles. It challenges LVLMs to resemble the spirit of divergent thinking and convergent associative reasoning through free-form responses and explicit reasoning paths. We deploy tailored LLM-as-a-Judge strategies to evaluate open-ended outputs, applying process-reward-informed judgment to dissect reasoning with precision. Extensive empirical studies on state-of-the-art LVLMs, including sensitivity analysis of task instances, validity analysis of LLM-as-a-Judge strategies, and diversity analysis across abilities, domains, languages, cultures, etc., provide a comprehensive and nuanced understanding of the limitations of current LVLMs in associative reasoning, paving the way for more human-like and general-purpose AI. The dataset and code are available at https://github.com/MM-OPERA-Bench/MM-OPERA.
Authors: Ashwin Kumar, Hanyu Zhang, David A. Schweidel, William Yeoh
Abstract: Next location prediction underpins a growing number of mobility, retail, and public-health applications, yet its societal impacts remain largely unexplored. In this paper, we audit state-of-the-art mobility prediction models trained on a large-scale dataset, highlighting hidden disparities based on user demographics. Drawing from aggregate census data, we compute the difference in predictive performance on racial and ethnic user groups and show a systematic disparity resulting from the underlying dataset, resulting in large differences in accuracy based on location and user groups. To address this, we propose Fairness-Guided Incremental Sampling (FGIS), a group-aware sampling strategy designed for incremental data collection settings. Because individual-level demographic labels are unavailable, we introduce Size-Aware K-Means (SAKM), a clustering method that partitions users in latent mobility space while enforcing census-derived group proportions. This yields proxy racial labels for the four largest groups in the state: Asian, Black, Hispanic, and White. Built on these labels, our sampling algorithm prioritizes users based on expected performance gains and current group representation. This method incrementally constructs training datasets that reduce demographic performance gaps while preserving overall accuracy. Our method reduces total disparity between groups by up to 40\% with minimal accuracy trade-offs, as evaluated on a state-of-art MetaPath2Vec model and a transformer-encoder model. Improvements are most significant in early sampling stages, highlighting the potential for fairness-aware strategies to deliver meaningful gains even in low-resource settings. Our findings expose structural inequities in mobility prediction pipelines and demonstrate how lightweight, data-centric interventions can improve fairness with little added complexity, especially for low-data applications.
Authors: Adam Winchell
Abstract: The Turing Test is no longer adequate for distinguishing human and machine intelligence. With advanced artificial intelligence systems already passing the original Turing Test and contributing to serious ethical and environmental concerns, we urgently need to update the test. This work expands upon the original imitation game by accounting for an additional factor: the energy spent answering the questions. By adding the constraint of energy, the new test forces us to evaluate intelligence through the lens of efficiency, connecting the abstract problem of thinking to the concrete reality of finite resources. Further, this proposed new test ensures the evaluation of intelligence has a measurable, practical finish line that the original test lacks. This additional constraint compels society to weigh the time savings of using artificial intelligence against its total resource cost.
Authors: Qiao Wang, Joseph George
Abstract: Monitoring household water use in rapidly urbanizing regions is hampered by costly, time-intensive enumeration methods and surveys. We investigate whether publicly available imagery-satellite tiles, Google Street View (GSV) segmentation-and simple geospatial covariates (nightlight intensity, population density) can be utilized to predict household water consumption in Hubballi-Dharwad, India. We compare four approaches: survey features (benchmark), CNN embeddings (satellite, GSV, combined), and GSV semantic maps with auxiliary data. Under an ordinal classification framework, GSV segmentation plus remote-sensing covariates achieves 0.55 accuracy for water use, approaching survey-based models (0.59 accuracy). Error analysis shows high precision at extremes of the household water consumption distribution, but confusion among middle classes is due to overlapping visual proxies. We also compare and contrast our estimates for household water consumption to that of household subjective income. Our findings demonstrate that open-access imagery, coupled with minimal geospatial data, offers a promising alternative to obtaining reliable household water consumption estimates using surveys in urban analytics.
Authors: Zhichao Hou, Weizhi Gao, Xiaorui Liu
Abstract: This work tackles a critical challenge in AI safety research under limited compute: given a fixed computation budget, how can one maximize the strength of iterative adversarial attacks? Coarsely reducing the number of attack iterations lowers cost but substantially weakens effectiveness. To fulfill the attainable attack efficacy within a constrained budget, we propose a fine-grained control mechanism that selectively recomputes layer activations across both iteration-wise and layer-wise levels. Extensive experiments show that our method consistently outperforms existing baselines at equal cost. Moreover, when integrated into adversarial training, it attains comparable performance with only 30% of the original budget.
Authors: Zheng Nie, Peijie Sun
Abstract: Recent advances in large language models (LLMs) promise more effective information extraction for review-based recommender systems, yet current methods still (i) mine free-form reviews without scope control, producing redundant and noisy representations, (ii) lack principled metrics that link LLM hallucination to downstream effectiveness, and (iii) leave the cost-quality trade-off across model scales largely unexplored. We address these gaps with the Hyper-Adaptive Dual-Stage Semantic Framework (HADSF), a two-stage approach that first induces a compact, corpus-level aspect vocabulary via adaptive selection and then performs vocabulary-guided, explicitly constrained extraction of structured aspect-opinion triples. To assess the fidelity of the resulting representations, we introduce Aspect Drift Rate (ADR) and Opinion Fidelity Rate (OFR) and empirically uncover a nonmonotonic relationship between hallucination severity and rating prediction error. Experiments on approximately 3 million reviews across LLMs spanning 1.5B-70B parameters show that, when integrated into standard rating predictors, HADSF yields consistent reductions in prediction error and enables smaller models to achieve competitive performance in representative deployment scenarios. We release code, data pipelines, and metric implementations to support reproducible research on hallucination-aware, LLM-enhanced explainable recommendation. Code is available at https://github.com/niez233/HADSF
Authors: John J. Vastola, Samuel J. Gershman, Kanaka Rajan
Abstract: Learning rules -- prescriptions for updating model parameters to improve performance -- are typically assumed rather than derived. Why do some learning rules work better than others, and under what assumptions can a given rule be considered optimal? We propose a theoretical framework that casts learning rules as policies for navigating (partially observable) loss landscapes, and identifies optimal rules as solutions to an associated optimal control problem. A range of well-known rules emerge naturally within this framework under different assumptions: gradient descent from short-horizon optimization, momentum from longer-horizon planning, natural gradients from accounting for parameter space geometry, non-gradient rules from partial controllability, and adaptive optimizers like Adam from online Bayesian inference of loss landscape shape. We further show that continual learning strategies like weight resetting can be understood as optimal responses to task uncertainty. By unifying these phenomena under a single objective, our framework clarifies the computational structure of learning and offers a principled foundation for designing adaptive algorithms.
Authors: Elise Wolf
Abstract: Multi-armed bandit (MAB) problems serve as a fundamental building block for more complex reinforcement learning algorithms. However, evaluating and comparing MAB algorithms remains challenging due to the lack of standardized conditions and replicability. This is particularly problematic for variance-aware extensions of classical methods like UCB, whose performance can heavily depend on the underlying environment. In this study, we address how performance differences between bandit algorithms can be reliably observed, and under what conditions variance-aware algorithms outperform classical ones. We present a reproducible evaluation designed to systematically compare eight classical and variance-aware MAB algorithms. The evaluation framework, implemented in our Bandit Playground codebase, features clearly defined experimental setups, multiple performance metrics (reward, regret, reward distribution, value-at-risk, and action optimality), and an interactive evaluation interface that supports consistent and transparent analysis. We show that variance-aware algorithms can offer advantages in settings with high uncertainty where the difficulty arises from subtle differences between arm rewards. In contrast, classical algorithms often perform equally well or better in more separable scenarios or if fine-tuned extensively. Our contributions are twofold: (1) a framework for systematic evaluation of MAB algorithms, and (2) insights into the conditions under which variance-aware approaches outperform their classical counterparts.
Authors: Mihir Mahajan, Alfred Nguyen, Franz Srambical, Stefan Bauer
Abstract: While world models are increasingly positioned as a pathway to overcoming data scarcity in domains such as robotics, open training infrastructure for world modeling remains nascent. We introduce Jasmine, a performant JAX-based world modeling codebase that scales from single hosts to hundreds of accelerators with minimal code changes. Jasmine achieves an order-of-magnitude faster reproduction of the CoinRun case study compared to prior open implementations, enabled by performance optimizations across data loading, training and checkpointing. The codebase guarantees fully reproducible training and supports diverse sharding configurations. By pairing Jasmine with curated large-scale datasets, we establish infrastructure for rigorous benchmarking pipelines across model families and architectural ablations.
Authors: Hongbo Li, Qinhang Wu, Sen Lin, Yingbin Liang, Ness B. Shroff
Abstract: Mixture-of-Experts (MoE) models improve transformer efficiency but lack a unified theoretical explanation, especially when both feed-forward and attention layers are allowed to specialize. To this end, we study the Mixture-of-Transformers (MoT), a tractable theoretical framework in which each transformer block acts as an expert governed by a continuously trained gating network. This design allows us to isolate and study the core learning dynamics of expert specialization and attention alignment. In particular, we develop a three-stage training algorithm with continuous training of the gating network, and show that each transformer expert specializes in a distinct class of tasks and that the gating network accurately routes data samples to the correct expert. Our analysis shows how expert specialization reduces gradient conflicts and makes each subtask strongly convex. We prove that the training drives the expected prediction loss to near zero in $O(\log(\epsilon^{-1}))$ iteration steps, significantly improving over the $O(\epsilon^{-1})$ rate for a single transformer. We further validate our theoretical findings through extensive real-data experiments, demonstrating the practical effectiveness of MoT. Together, these results offer the first unified theoretical account of transformer-level specialization and learning dynamics, providing practical guidance for designing efficient large-scale models.
Authors: Sean Patten, Pin-Yu Chen, Christina Schweikert, D. Frank Hsu
Abstract: This paper presents a novel approach to sentiment classification using the application of Combinatorial Fusion Analysis (CFA) to integrate an ensemble of diverse machine learning models, achieving state-of-the-art accuracy on the IMDB sentiment analysis dataset of 97.072\%. CFA leverages the concept of cognitive diversity, which utilizes rank-score characteristic functions to quantify the dissimilarity between models and strategically combine their predictions. This is in contrast to the common process of scaling the size of individual models, and thus is comparatively efficient in computing resource use. Experimental results also indicate that CFA outperforms traditional ensemble methods by effectively computing and employing model diversity. The approach in this paper implements the combination of a transformer-based model of the RoBERTa architecture with traditional machine learning models, including Random Forest, SVM, and XGBoost.
Authors: Zachary Izzo, Eshaan Nichani, Jason D. Lee
Abstract: We study the problem of length generalization (LG) in transformers: the ability of a model trained on shorter sequences to maintain performance when evaluated on much longer, previously unseen inputs. Prior work by Huang et al. (2025) established that transformers eventually achieve length generalization once the training sequence length exceeds some finite threshold, but left open the question of how large it must be. In this work, we provide the first quantitative bounds on the required training length for length generalization to occur. Motivated by previous empirical and theoretical work, we analyze LG in several distinct problem settings: $\ell_\infty$ error control vs. average error control over an input distribution, infinite-precision softmax attention vs. finite-precision attention (which reduces to an argmax) in the transformer, and one- vs. two-layer transformers. In all scenarios, we prove that LG occurs when the internal behavior of the transformer on longer sequences can be "simulated" by its behavior on shorter sequences seen during training. Our bounds give qualitative estimates for the length of training data required for a transformer to generalize, and we verify these insights empirically. These results sharpen our theoretical understanding of the mechanisms underlying extrapolation in transformers, and formalize the intuition that richer training data is required for generalization on more complex tasks.
Authors: Md Tanvirul Alam, Nidhi Rastogi
Abstract: Mathematical reasoning is a central challenge for large language models (LLMs), requiring not only correct answers but also faithful reasoning processes. Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a promising approach for enhancing such capabilities; however, its ability to foster genuine reasoning remains unclear. We investigate RLVR on two combinatorial problems with fully verifiable solutions: \emph{Activity Scheduling} and the \emph{Longest Increasing Subsequence}, using carefully curated datasets with unique optima. Across multiple reward designs, we find that RLVR improves evaluation metrics but often by reinforcing superficial heuristics rather than acquiring new reasoning strategies. These findings highlight the limits of RLVR generalization, emphasizing the importance of benchmarks that disentangle genuine mathematical reasoning from shortcut exploitation and provide faithful measures of progress. Code available at https://github.com/xashru/rlvr-seq-generalization.
Authors: Alex Irpan, Alexander Matt Turner, Mark Kurzeja, David K. Elson, Rohin Shah
Abstract: An LLM's factuality and refusal training can be compromised by simple changes to a prompt. Models often adopt user beliefs (sycophancy) or satisfy inappropriate requests which are wrapped within special text (jailbreaking). We explore \emph{consistency training}, a self-supervised paradigm that teaches a model to be invariant to certain irrelevant cues in the prompt. Instead of teaching the model what exact response to give on a particular prompt, we aim to teach the model to behave identically across prompt data augmentations (like adding leading questions or jailbreak text). We try enforcing this invariance in two ways: over the model's external outputs (\emph{Bias-augmented Consistency Training} (BCT) from Chua et al. [2025]) and over its internal activations (\emph{Activation Consistency Training} (ACT), a method we introduce). Both methods reduce Gemini 2.5 Flash's susceptibility to irrelevant cues. Because consistency training uses responses from the model itself as training data, it avoids issues that arise from stale training data, such as degrading model capabilities or enforcing outdated response guidelines. While BCT and ACT reduce sycophancy equally well, BCT does better at jailbreak reduction. We think that BCT can simplify training pipelines by removing reliance on static datasets. We argue that some alignment problems are better viewed not in terms of optimal responses, but rather as consistency issues.
Authors: Shairoz Sohail, Taher Ali
Abstract: Given two algorithms for the same problem, can we determine whether they are meaningfully different? In full generality, the question is uncomputable, and empirically it is muddied by competing notions of similarity. Yet, in many applications (such as clone detection or program synthesis) a pragmatic and consistent similarity metric is necessary. We review existing equivalence and similarity notions and introduce EMOC: An Evaluation-Memory-Operations-Complexity framework that embeds algorithm implementations into a feature space suitable for downstream tasks. We compile PACD, a curated dataset of verified Python implementations across three problems, and show that EMOC features support clustering and classification of algorithm types, detection of near-duplicates, and quantification of diversity in LLM-generated programs. Code, data, and utilities for computing EMOC embeddings are released to facilitate reproducibility and future work on algorithm similarity.
Authors: Radoyeh Shojaei, Predrag Djurdjevic, Mostafa El-Khamy, James Goel, Kasper Mecklenburg, John Owens, P{\i}nar Muyan-\"Oz\c{c}elik, Tom St. John, Jinho Suh, Arjun Suresh
Abstract: We present MLPerf Automotive, the first standardized public benchmark for evaluating Machine Learning systems that are deployed for AI acceleration in automotive systems. Developed through a collaborative partnership between MLCommons and the Autonomous Vehicle Computing Consortium, this benchmark addresses the need for standardized performance evaluation methodologies in automotive machine learning systems. Existing benchmark suites cannot be utilized for these systems since automotive workloads have unique constraints including safety and real-time processing that distinguish them from the domains that previously introduced benchmarks target. Our benchmarking framework provides latency and accuracy metrics along with evaluation protocols that enable consistent and reproducible performance comparisons across different hardware platforms and software implementations. The first iteration of the benchmark consists of automotive perception tasks in 2D object detection, 2D semantic segmentation, and 3D object detection. We describe the methodology behind the benchmark design including the task selection, reference models, and submission rules. We also discuss the first round of benchmark submissions and the challenges involved in acquiring the datasets and the engineering efforts to develop the reference implementations. Our benchmark code is available at https://github.com/mlcommons/mlperf_automotive.
Authors: Justin Yang Chae, Md Tanvirul Alam, Nidhi Rastogi
Abstract: Recent advances in large language model (LLM) reasoning, led by reinforcement learning with verifiable rewards (RLVR), have inspired self-play post-training, where models improve by generating and solving their own problems. While self-play has shown strong in-domain and out-of-domain gains, the mechanisms behind these improvements remain poorly understood. In this work, we analyze the training dynamics of self-play through the lens of the Absolute Zero Reasoner, comparing it against RLVR and supervised fine-tuning (SFT). Our study examines parameter update sparsity, entropy dynamics of token distributions, and alternative proposer reward functions. We further connect these dynamics to reasoning performance using pass@k evaluations. Together, our findings clarify how self-play differs from other post-training strategies, highlight its inherent limitations, and point toward future directions for improving LLM math reasoning through self-play.
Authors: Sina Javadzadeh, Rahil Soroushmojdehi, S. Alireza Seyyed Mousavi, Mehrnaz Asadi, Sumiko Abe, Terence D. Sanger
Abstract: Aggregating intracranial recordings across subjects is challenging since electrode count, placement, and covered regions vary widely. Spatial normalization methods like MNI coordinates offer a shared anatomical reference, but often fail to capture true functional similarity, particularly when localization is imprecise; even at matched anatomical coordinates, the targeted brain region and underlying neural dynamics can differ substantially between individuals. We propose a scalable representation-learning framework that (i) learns a subject-agnostic functional identity for each electrode from multi-region local field potentials using a Siamese encoder with contrastive objectives, inducing an embedding geometry that is locality-sensitive to region-specific neural signatures, and (ii) tokenizes these embeddings for a transformer that models inter-regional relationships with a variable number of channels. We evaluate this framework on a 20-subject dataset spanning basal ganglia-thalamic regions collected during flexible rest/movement recording sessions with heterogeneous electrode layouts. The learned functional space supports accurate within-subject discrimination and forms clear, region-consistent clusters; it transfers zero-shot to unseen channels. The transformer, operating on functional tokens without subject-specific heads or supervision, captures cross-region dependencies and enables reconstruction of masked channels, providing a subject-agnostic backbone for downstream decoding. Together, these results indicate a path toward large-scale, cross-subject aggregation and pretraining for intracranial neural data where strict task structure and uniform sensor placement are unavailable.
Authors: Yiwei Chen, Kehuan Yan, Yu Pan, Daoyi Dong
Abstract: Quantum theory provides non-classical principles, such as superposition and entanglement, that inspires promising paradigms in machine learning. However, most existing quantum-inspired fusion models rely solely on unitary or unitary-like transformations to generate quantum entanglement. While theoretically expressive, such approaches often suffer from training instability and limited generalizability. In this work, we propose a Quantum-inspired Neural Network with Quantum Jump (QiNN-QJ) for multimodal entanglement modelling. Each modality is firstly encoded as a quantum pure state, after which a differentiable module simulating the QJ operator transforms the separable product state into the entangled representation. By jointly learning Hamiltonian and Lindblad operators, QiNN-QJ generates controllable cross-modal entanglement among modalities with dissipative dynamics, where structured stochasticity and steady-state attractor properties serve to stabilize training and constrain entanglement shaping. The resulting entangled states are projected onto trainable measurement vectors to produce predictions. In addition to achieving superior performance over the state-of-the-art models on benchmark datasets, including CMU-MOSI, CMU-MOSEI, and CH-SIMS, QiNN-QJ facilitates enhanced post-hoc interpretability through von-Neumann entanglement entropy. This work establishes a principled framework for entangled multimodal fusion and paves the way for quantum-inspired approaches in modelling complex cross-modal correlations.
Authors: Crystal Su, Kuai Yu, Mingyuan Shao, Daniel Bauer
Abstract: Bulk tissue RNA sequencing of heterogeneous samples provides averaged gene expression profiles, obscuring cell type-specific dynamics. To address this, we present a probabilistic hierarchical Bayesian model that deconvolves bulk RNA-seq data into constituent cell-type expression profiles and proportions, leveraging a high-resolution single-cell reference. We apply our model to human endometrial tissue across the menstrual cycle, a context characterized by dramatic hormone-driven cellular composition changes. Our extended framework provides a principled inference of cell type proportions and cell-specific gene expression changes across cycle phases. We demonstrate the model's structure, priors, and inference strategy in detail, and we validate its performance with simulations and comparisons to existing methods. The results reveal dynamic shifts in epithelial, stromal, and immune cell fractions between menstrual phases, and identify cell-type-specific differential gene expression associated with endometrial function (e.g., decidualization markers in stromal cells during the secretory phase). We further conduct robustness tests and show that our Bayesian approach is resilient to reference mismatches and noise. Finally, we discuss the biological significance of our findings, potential clinical implications for fertility and endometrial disorders, and future directions, including integration of spatial transcriptomics.
Authors: Yihong Guo, Junjie Luo, Guodong Gao, Ritu Agarwal, Anqi Liu
Abstract: Offline contextual bandits allow one to learn policies from historical/offline data without requiring online interaction. However, offline policy optimization that maximizes overall expected rewards can unintentionally amplify the reward disparities across groups. As a result, some groups might benefit more than others from the learned policy, raising concerns about fairness, especially when the resources are limited. In this paper, we study a group-sensitive fairness constraint in offline contextual bandits, reducing group-wise reward disparities that may arise during policy learning. We tackle the following common-parity requirements: the reward disparity is constrained within some user-defined threshold or the reward disparity should be minimized during policy optimization. We propose a constrained offline policy optimization framework by introducing group-wise reward disparity constraints into an off-policy gradient-based optimization procedure. To improve the estimation of the group-wise reward disparity during training, we employ a doubly robust estimator and further provide a convergence guarantee for policy optimization. Empirical results in synthetic and real-world datasets demonstrate that our method effectively reduces reward disparities while maintaining competitive overall performance.
Authors: Srijit Seal, Dinh Long Huynh, Moudather Chelbi, Sara Khosravi, Ankur Kumar, Mattson Thieme, Isaac Wilks, Mark Davies, Jessica Mustali, Yannick Sun, Nick Edwards, Daniil Boiko, Andrei Tyrin, Douglas W. Selinger, Ayaan Parikh, Rahul Vijayan, Shoman Kasbekar, Dylan Reid, Andreas Bender, Ola Spjuth
Abstract: Artificial intelligence (AI) agents are emerging as transformative tools in drug discovery, with the ability to autonomously reason, act, and learn through complicated research workflows. Building on large language models (LLMs) coupled with perception, computation, action, and memory tools, these agentic AI systems could integrate diverse biomedical data, execute tasks, carry out experiments via robotic platforms, and iteratively refine hypotheses in closed loops. We provide a conceptual and technical overview of agentic AI architectures, ranging from ReAct and Reflection to Supervisor and Swarm systems, and illustrate their applications across key stages of drug discovery, including literature synthesis, toxicity prediction, automated protocol generation, small-molecule synthesis, drug repurposing, and end-to-end decision-making. To our knowledge, this represents the first comprehensive work to present real-world implementations and quantifiable impacts of agentic AI systems deployed in operational drug discovery settings. Early implementations demonstrate substantial gains in speed, reproducibility, and scalability, compressing workflows that once took months into hours while maintaining scientific traceability. We discuss the current challenges related to data heterogeneity, system reliability, privacy, and benchmarking, and outline future directions towards technology in support of science and translation.
Authors: Hong Jiao, Hanna Choi, Haowei Hua
Abstract: This study explored the utilities of rationales generated by GPT-4.1 and GPT-5 in automated scoring using Prompt 6 essays from the 2012 Kaggle ASAP data. Essay-based scoring was compared with rationale-based scoring. The study found in general essay-based scoring performed better than rationale-based scoring with higher Quadratic Weighted Kappa (QWK). However, rationale-based scoring led to higher scoring accuracy in terms of F1 scores for score 0 which had less representation due to class imbalance issues. The ensemble modeling of essay-based scoring models increased the scoring accuracy at both specific score levels and across all score levels. The ensemble modeling of essay-based scoring and each of the rationale-based scoring performed about the same. Further ensemble of essay-based scoring and both rationale-based scoring yielded the best scoring accuracy with QWK of 0.870 compared with 0.848 reported in literature.
Authors: Minh Phu Vuong, Young-Ju Lee, Iv\'an Ojeda-Ruiz, Chul-Ho Lee
Abstract: Due to the growing concern about unsavory behaviors of machine learning models toward certain demographic groups, the notion of 'fairness' has recently drawn much attention from the community, thereby motivating the study of fairness in graph clustering. Fair graph clustering aims to partition the set of nodes in a graph into $k$ disjoint clusters such that the proportion of each protected group within each cluster is consistent with the proportion of that group in the entire dataset. It is, however, computationally challenging to incorporate fairness constraints into existing graph clustering algorithms, particularly for large graphs. To address this problem, we propose FairAD, a computationally efficient fair graph clustering method. It first constructs a new affinity matrix based on the notion of algebraic distance such that fairness constraints are imposed. A graph coarsening process is then performed on this affinity matrix to find representative nodes that correspond to $k$ clusters. Finally, a constrained minimization problem is solved to obtain the solution of fair clustering. Experiment results on the modified stochastic block model and six public datasets show that FairAD can achieve fair clustering while being up to 40 times faster compared to state-of-the-art fair graph clustering algorithms.
Authors: Sein Kwon, Seulgi Baek, Hyunseo Yang, Youngwan Jo, Sanghyun Park
Abstract: Database Management Systems (DBMSs) are fundamental for managing large-scale and heterogeneous data, and their performance is critically influenced by configuration parameters. Effective tuning of these parameters is essential for adapting to diverse workloads and maximizing throughput while minimizing latency. Recent research has focused on automated configuration optimization using machine learning; however, existing approaches still exhibit several key limitations. Most tuning frameworks disregard the dependencies among parameters, assuming that each operates independently. This simplification prevents optimizers from leveraging relational effects across parameters, limiting their capacity to capture performancesensitive interactions. Moreover, to reduce the complexity of the high-dimensional search space, prior work often selects only the top few parameters for optimization, overlooking others that contribute meaningfully to performance. Bayesian Optimization (BO), the most common method for automatic tuning, is also constrained by its reliance on surrogate models, which can lead to unstable predictions and inefficient exploration. To overcome these limitations, we propose RelTune, a novel framework that represents parameter dependencies as a Relational Graph and learns GNN-based latent embeddings that encode performancerelevant semantics. RelTune further introduces Hybrid-Score-Guided Bayesian Optimization (HBO), which combines surrogate predictions with an Affinity Score measuring proximity to previously high-performing configurations. Experimental results on multiple DBMSs and workloads demonstrate that RelTune achieves faster convergence and higher optimization efficiency than conventional BO-based methods, achieving state-of-the-art performance across all evaluated scenarios.
Authors: Tong Zhao, Jiacheng Li, Yuanchang Zhou, Guangming Tan, Weile Jia
Abstract: Finding lower and better-generalizing minima is crucial for deep learning. However, most existing optimizers stop searching the parameter space once they reach a local minimum. Given the complex geometric properties of the loss landscape, it is difficult to guarantee that such a point is the lowest or provides the best generalization. To address this, we propose an adaptor "E" for gradient-based optimizers. The adapted optimizer tends to continue exploring along landscape valleys (areas with low and nearly identical losses) in order to search for potentially better local minima even after reaching a local minimum. This approach increases the likelihood of finding a lower and flatter local minimum, which is often associated with better generalization. We also provide a proof of convergence for the adapted optimizers in both convex and non-convex scenarios for completeness. Finally, we demonstrate their effectiveness in an important but notoriously difficult training scenario, large-batch training, where Lamb is the benchmark optimizer. Our testing results show that the adapted Lamb, ALTO, increases the test accuracy (generalization) of the current state-of-the-art optimizer by an average of 2.5% across a variety of large-batch training tasks. This work potentially opens a new research direction in the design of optimization algorithms.
Authors: Zixuan Hu, Li Shen, Zhenyi Wang, Yongxian Wei, Dacheng Tao
Abstract: Harmful fine-tuning poses critical safety risks to fine-tuning-as-a-service for large language models. Existing defense strategies preemptively build robustness via attack simulation but suffer from fundamental limitations: (i) the infeasibility of extending attack simulations beyond bounded threat models due to the inherent difficulty of anticipating unknown attacks, and (ii) limited adaptability to varying attack settings, as simulation fails to capture their variability and complexity. To address these challenges, we propose Bayesian Data Scheduler (BDS), an adaptive tuning-stage defense strategy with no need for attack simulation. BDS formulates harmful fine-tuning defense as a Bayesian inference problem, learning the posterior distribution of each data point's safety attribute, conditioned on the fine-tuning and alignment datasets. The fine-tuning process is then constrained by weighting data with their safety attributes sampled from the posterior, thus mitigating the influence of harmful data. By leveraging the post hoc nature of Bayesian inference, the posterior is conditioned on the fine-tuning dataset, enabling BDS to tailor its defense to the specific dataset, thereby achieving adaptive defense. Furthermore, we introduce a neural scheduler based on amortized Bayesian learning, enabling efficient transfer to new data without retraining. Comprehensive results across diverse attack and defense settings demonstrate the state-of-the-art performance of our approach. Code is available at https://github.com/Egg-Hu/Bayesian-Data-Scheduler.
Authors: Junfan Li, Shizhong Liao, Zenglin Xu, Liqiang Nie
Abstract: In this paper, we study the problem of online sparse linear regression (OSLR) where the algorithms are restricted to accessing only $k$ out of $d$ attributes per instance for prediction, which was proved to be NP-hard. Previous work gave polynomial-time algorithms assuming the data matrix satisfies the linear independence of features, the compatibility condition, or the restricted isometry property. We introduce a new polynomial-time algorithm, which significantly improves previous regret bounds (Ito et al., 2017) under the compatibility condition that is weaker than the other two assumptions. The improvements benefit from a tighter convergence rate of the $\ell_1$-norm error of our estimators. Our algorithm leverages the well-studied Dantzig Selector, but importantly with several novel techniques, including an algorithm-dependent sampling scheme for estimating the covariance matrix, an adaptive parameter tuning scheme, and a batching online Newton step with careful initializations. We also give novel and non-trivial analyses, including an induction method for analyzing the $\ell_1$-norm error, careful analyses on the covariance of non-independent random variables, and a decomposition on the regret. We further extend our algorithm to OSLR with additional observations where the algorithms can observe additional $k_0$ attributes after each prediction, and improve previous regret bounds (Kale et al., 2017; Ito et al., 2017).
Authors: Zongshun Zhang, Ibrahim Matta
Abstract: Dynamic offloading of Machine Learning (ML) model partitions across different resource orchestration services, such as Function-as-a-Service (FaaS) and Infrastructure-as-a-Service (IaaS), can balance processing and transmission delays while minimizing costs of adaptive inference applications. However, prior work often overlooks real-world factors, such as Virtual Machine (VM) cold starts, requests under long-tail service time distributions, etc. To tackle these limitations, we model each ML query (request) as traversing an acyclic sequence of stages, wherein each stage constitutes a contiguous block of sparse model parameters ending in an internal or final classifier where requests may exit. Since input-dependent exit rates vary, no single resource configuration suits all query distributions. IaaS-based VMs become underutilized when many requests exit early, yet rapidly scaling to handle request bursts reaching deep layers is impractical. SERFLOW addresses this challenge by leveraging FaaS-based serverless functions (containers) and using stage-specific resource provisioning that accounts for the fraction of requests exiting at each stage. By integrating this provisioning with adaptive load balancing across VMs and serverless functions based on request ingestion, SERFLOW reduces cloud costs by over $23\%$ while efficiently adapting to dynamic workloads.
Authors: Ziyuan Gao
Abstract: Traffic accidents represent a critical public health challenge, claiming over 1.35 million lives annually worldwide. Traditional accident prediction models treat road segments independently, failing to capture complex spatial relationships and temporal dependencies in urban transportation networks. This study develops MDAS-GNN, a Multi-Dimensional Attention-based Spatial-diffusion Graph Neural Network integrating three core risk dimensions: traffic safety, infrastructure, and environmental risk. The framework employs feature-specific spatial diffusion mechanisms and multi-head temporal attention to capture dependencies across different time horizons. Evaluated on UK Department for Transport accident data across Central London, South Manchester, and SE Birmingham, MDASGNN achieves superior performance compared to established baseline methods. The model maintains consistently low prediction errors across short, medium, and long-term periods, with particular strength in long-term forecasting. Ablation studies confirm that integrated multi-dimensional features outperform singlefeature approaches, reducing prediction errors by up to 40%. This framework provides civil engineers and urban planners with advanced predictive capabilities for transportation infrastructure design, enabling data-driven decisions for road network optimization, infrastructure resource improvements, and strategic safety interventions in urban development projects.
Authors: Hamed Najafi, Dongsheng Luo, Jason Liu
Abstract: Explainable AI (XAI) is critical for building trust in complex machine learning models, yet mainstream attribution methods often provide an incomplete, static picture of a model's final state. By collapsing a feature's role into a single score, they are confounded by non-linearity and interactions. To address this, we introduce Feature-Function Curvature Analysis (FFCA), a novel framework that analyzes the geometry of a model's learned function. FFCA produces a 4-dimensional signature for each feature, quantifying its: (1) Impact, (2) Volatility, (3) Non-linearity, and (4) Interaction. Crucially, we extend this framework into Dynamic Archetype Analysis, which tracks the evolution of these signatures throughout the training process. This temporal view moves beyond explaining what a model learned to revealing how it learns. We provide the first direct, empirical evidence of hierarchical learning, showing that models consistently learn simple linear effects before complex interactions. Furthermore, this dynamic analysis provides novel, practical diagnostics for identifying insufficient model capacity and predicting the onset of overfitting. Our comprehensive experiments demonstrate that FFCA, through its static and dynamic components, provides the essential geometric context that transforms model explanation from simple quantification to a nuanced, trustworthy analysis of the entire learning process.
Authors: Jaebyeong Jeon, Hyeonseo Jang, Jy-yong Sohn, Kibok Lee
Abstract: Equivariant representation learning aims to capture variations induced by input transformations in the representation space, whereas invariant representation learning encodes semantic information by disregarding such transformations. Recent studies have shown that jointly learning both types of representations is often beneficial for downstream tasks, typically by employing separate projection heads. However, this design overlooks information shared between invariant and equivariant learning, which leads to redundant feature learning and inefficient use of model capacity. To address this, we introduce Soft Task-Aware Routing (STAR), a routing strategy for projection heads that models them as experts. STAR induces the experts to specialize in capturing either shared or task-specific information, thereby reducing redundant feature learning. We validate this effect by observing lower canonical correlations between invariant and equivariant embeddings. Experimental results show consistent improvements across diverse transfer learning tasks. The code is available at https://github.com/YonseiML/star.
Authors: Jingrui Zhang, Yimeng Xu, Shujie Li, Feng Liang, Haihan Duan, Yanjie Dong, Victor C. M. Leung, Xiping Hu
Abstract: Federated Learning (FL) enables collaborative model training across decentralized clients without sharing private data. However, FL suffers from biased global models due to non-IID and long-tail data distributions. We propose \textbf{FedSM}, a novel client-centric framework that mitigates this bias through semantics-guided feature mixup and lightweight classifier retraining. FedSM uses a pretrained image-text-aligned model to compute category-level semantic relevance, guiding the category selection of local features to mix-up with global prototypes to generate class-consistent pseudo-features. These features correct classifier bias, especially when data are heavily skewed. To address the concern of potential domain shift between the pretrained model and the data, we propose probabilistic category selection, enhancing feature diversity to effectively mitigate biases. All computations are performed locally, requiring minimal server overhead. Extensive experiments on long-tail datasets with various imbalanced levels demonstrate that FedSM consistently outperforms state-of-the-art methods in accuracy, with high robustness to domain shift and computational efficiency.
Authors: Qiyan Deng, Changqian Zheng, Lianpeng Qiao, Yuping Wang, Chengliang Chai, Lei Cao
Abstract: Dataset distillation condenses large datasets into synthetic subsets, achieving performance comparable to training on the full dataset while substantially reducing storage and computation costs. Most existing dataset distillation methods assume that all real instances contribute equally to the process. In practice, real-world datasets contain both informative and redundant or even harmful instances, and directly distilling the full dataset without considering data quality can degrade model performance. In this work, we present Influence-Weighted Distillation IWD, a principled framework that leverages influence functions to explicitly account for data quality in the distillation process. IWD assigns adaptive weights to each instance based on its estimated impact on the distillation objective, prioritizing beneficial data while downweighting less useful or harmful ones. Owing to its modular design, IWD can be seamlessly integrated into diverse dataset distillation frameworks. Our empirical results suggest that integrating IWD tends to improve the quality of distilled datasets and enhance model performance, with accuracy gains of up to 7.8%.
Authors: Xin Tang, Youfang Han, Fangfei Gou, Wei Zhao, Xin Meng, Yang Yu, Jinguo Zhang, Yuanchun Shi, Yuntao Wang, Tengxiang Zhang
Abstract: Vision-Language Models (VLMs) excel in diverse multimodal tasks. However, user requirements vary across scenarios, which can be categorized into fast response, high-quality output, and low energy consumption. Relying solely on large models deployed in the cloud for all queries often leads to high latency and energy cost, while small models deployed on edge devices are capable of handling simpler tasks with low latency and energy cost. To fully leverage the strengths of both large and small models, we propose ECVL-ROUTER, the first scenario-aware routing framework for VLMs. Our approach introduces a new routing strategy and evaluation metrics that dynamically select the appropriate model for each query based on user requirements, maximizing overall utility. We also construct a multimodal response-quality dataset tailored for router training and validate the approach through extensive experiments. Results show that our approach successfully routes over 80\% of queries to the small model while incurring less than 10\% drop in problem solving probability.
Authors: Yifan Zhang, Zhen Qin, Quanquan Gu
Abstract: The quadratic cost of scaled dot-product attention is a central obstacle to scaling autoregressive language models to long contexts. Linear-time attention and State Space Models (SSMs) provide scalable alternatives but are typically restricted to first-order or kernel-based approximations, which can limit expressivity. We introduce Higher-order Linear Attention (HLA), a causal, streaming mechanism that realizes higher interactions via compact prefix sufficient statistics. In the second-order case, HLA maintains a constant-size state and computes per-token outputs in linear time without materializing any $n \times n$ matrices. We give closed-form streaming identities, a strictly causal masked variant using two additional summaries, and a chunk-parallel training scheme based on associative scans that reproduces the activations of a serial recurrence exactly. We further outline extensions to third and higher orders. Collectively, these results position HLA as a principled, scalable building block that combines attention-like, data-dependent mixing with the efficiency of modern recurrent architectures. Project Page: https://github.com/yifanzhang-pro/HLA.
Authors: Han Yu, Kehan Li, Dongbai Li, Yue He, Xingxuan Zhang, Peng Cui
Abstract: Recently, there has been gradually more attention paid to Out-of-Distribution (OOD) performance prediction, whose goal is to predict the performance of trained models on unlabeled OOD test datasets, so that we could better leverage and deploy off-the-shelf trained models in risk-sensitive scenarios. Although progress has been made in this area, evaluation protocols in previous literature are inconsistent, and most works cover only a limited number of real-world OOD datasets and types of distribution shifts. To provide convenient and fair comparisons for various algorithms, we propose Out-of-Distribution Performance Prediction Benchmark (ODP-Bench), a comprehensive benchmark that includes most commonly used OOD datasets and existing practical performance prediction algorithms. We provide our trained models as a testbench for future researchers, thus guaranteeing the consistency of comparison and avoiding the burden of repeating the model training process. Furthermore, we also conduct in-depth experimental analyses to better understand their capability boundary.
Authors: Minghui Li, Yuanhang Wang, Peijin Guo, Wei Wan, Shengshan Hu, Shengqing Hu
Abstract: Accurate prediction of Drug-Target Affinity (DTA) is crucial for reducing experimental costs and accelerating early screening in computational drug discovery. While sequence-based deep learning methods avoid reliance on costly 3D structures, they still overlook simultaneous modeling of global sequence semantic features and local topological structural features within drugs and proteins, and represent drugs as flat sequences without atomic-level, substructural-level, and molecular-level multi-scale features. We propose HiF-DTA, a hierarchical network that adopts a dual-pathway strategy to extract both global sequence semantic and local topological features from drug and protein sequences, and models drugs multi-scale to learn atomic, substructural, and molecular representations fused via a multi-scale bilinear attention module. Experiments on Davis, KIBA, and Metz datasets show HiF-DTA outperforms state-of-the-art baselines, with ablations confirming the importance of global-local extraction and multi-scale fusion.
Authors: Harsh Vishwakarma, Ankush Agarwal, Ojas Patil, Chaitanya Devaguptapu, Mahesh Chandran
Abstract: Enterprise systems are crucial for enhancing productivity and decision-making among employees and customers. Integrating LLM based systems into enterprise systems enables intelligent automation, personalized experiences, and efficient information retrieval, driving operational efficiency and strategic growth. However, developing and evaluating such systems is challenging due to the inherent complexity of enterprise environments, where data is fragmented across multiple sources and governed by sophisticated access controls. We present EnterpriseBench, a comprehensive benchmark that simulates enterprise settings, featuring 500 diverse tasks across software engineering, HR, finance, and administrative domains. Our benchmark uniquely captures key enterprise characteristics including data source fragmentation, access control hierarchies, and cross-functional workflows. Additionally, we provide a novel data generation pipeline that creates internally consistent enterprise tasks from organizational metadata. Experiments with state-of-the-art LLM agents demonstrate that even the most capable models achieve only 41.8% task completion, highlighting significant opportunities for improvement in enterprise-focused AI systems.
Authors: Berken Utku Demirel, Christian Holz
Abstract: The oscillations of the human heart rate are inherently complex and non-linear -- they are best described by mathematical chaos, and they present a challenge when applied to the practical domain of cardiovascular health monitoring in everyday life. In this work, we study the non-linear chaotic behavior of heart rate through mutual information and introduce a novel approach for enhancing heart rate estimation in real-life conditions. Our proposed approach not only explains and handles the non-linear temporal complexity from a mathematical perspective but also improves the deep learning solutions when combined with them. We validate our proposed method on four established datasets from real-life scenarios and compare its performance with existing algorithms thoroughly with extensive ablation experiments. Our results demonstrate a substantial improvement, up to 40\%, of the proposed approach in estimating heart rate compared to traditional methods and existing machine-learning techniques while reducing the reliance on multiple sensing modalities and eliminating the need for post-processing steps.
Authors: Rodrigo Matos Carnier, Laura Lahesoo, Kensuke Fukuda
Abstract: With the growing volume of Internet of Things (IoT) network traffic, machine learning (ML)-based anomaly detection is more relevant than ever. Traditional batch learning models face challenges such as high maintenance and poor adaptability to rapid anomaly changes, known as concept drift. In contrast, streaming learning integrates online and incremental learning, enabling seamless updates and concept drift detection to improve robustness. This study investigates anomaly detection in streaming IoT traffic as binary classification, comparing batch and streaming learning approaches while assessing the limitations of current IoT traffic datasets. We simulated heterogeneous network data streams by carefully mixing existing datasets and streaming the samples one by one. Our results highlight the failure of batch models to handle concept drift, but also reveal persisting limitations of current datasets to expose model limitations due to low traffic heterogeneity. We also investigated the competitiveness of tree-based ML algorithms, well-known in batch anomaly detection, and compared it to non-tree-based ones, confirming the advantages of the former. Adaptive Random Forest achieved F1-score of 0.990 $\pm$ 0.006 at one-third the computational cost of its batch counterpart. Hoeffding Adaptive Tree reached F1-score of 0.910 $\pm$ 0.007, reducing computational cost by four times, making it a viable choice for online applications despite a slight trade-off in stability.
Authors: Philipp Davydov, Ameya Prabhu, Matthias Bethge, Elisa Nguyen, Seong Joon Oh
Abstract: Understanding how language-model outputs relate to the pretraining corpus is central to studying model behavior. Most training data attribution (TDA) methods ask which training examples causally influence a given output, often using leave-one-out tests. We invert the question: which outputs cannot be attributed to any pretraining example? We introduce un-attributability as an operational measure of semantic novelty: an output is novel if the pretraining corpus contains no semantically similar context. We approximate this with a simple two-stage retrieval pipeline: index the corpus with lightweight GIST embeddings, retrieve the top-n candidates, then rerank with ColBERTv2. If the nearest corpus item is less attributable than a human-generated text reference, we consider the output of the model as novel. We evaluate on SmolLM and SmolLM2 and report three findings: (1) models draw on pretraining data across much longer spans than previously reported; (2) some domains systematically promote or suppress novelty; and (3) instruction tuning not only alters style but also increases novelty. Reframing novelty assessment around un-attributability enables efficient analysis at pretraining scale. We release ~20 TB of corpus chunks and index artifacts to support replication and large-scale extension of our analysis at https://huggingface.co/datasets/stai-tuebingen/faiss-smollm
URLs: https://huggingface.co/datasets/stai-tuebingen/faiss-smollm
Authors: Yu-Chen Kuo, Yi-Ju Tseng
Abstract: The inherent multimodality and heterogeneous temporal structures of medical data pose significant challenges for modeling. We propose MedM2T, a time-aware multimodal framework designed to address these complexities. MedM2T integrates: (i) Sparse Time Series Encoder to flexibly handle irregular and sparse time series, (ii) Hierarchical Time-Aware Fusion to capture both micro- and macro-temporal patterns from multiple dense time series, such as ECGs, and (iii) Bi-Modal Attention to extract cross-modal interactions, which can be extended to any number of modalities. To mitigate granularity gaps between modalities, MedM2T uses modality-specific pre-trained encoders and aligns resulting features within a shared encoder. We evaluated MedM2T on MIMIC-IV and MIMIC-IV-ECG datasets for three tasks that encompass chronic and acute disease dynamics: 90-day cardiovascular disease (CVD) prediction, in-hospital mortality prediction, and ICU length-of-stay (LOS) regression. MedM2T outperformed state-of-the-art multimodal learning frameworks and existing time series models, achieving an AUROC of 0.947 and an AUPRC of 0.706 for CVD prediction; an AUROC of 0.901 and an AUPRC of 0.558 for mortality prediction; and Mean Absolute Error (MAE) of 2.31 for LOS regression. These results highlight the robustness and broad applicability of MedM2T, positioning it as a promising tool in clinical prediction. We provide the implementation of MedM2T at https://github.com/DHLab-TSENG/MedM2T.
Authors: Arun Jose
Abstract: Language models trained via outcome-based reinforcement learning (RL) to reason using chain-of-thought (CoT) have shown remarkable performance. Monitoring such a model's CoT may allow us to understand its intentions and detect potential malicious behavior. However, to be effective, this requires that CoTs are legible and faithful. We study CoT legibility across 14 reasoning models, finding that RL often causes reasoning to become illegible to both humans and AI monitors, with reasoning models (except Claude) generating illegible CoTs while returning to perfectly readable final answers. We show that models use illegible reasoning to reach correct answers (accuracy dropping by 53\% when forced to use only legible portions), yet find no correlation between legibility and performance when resampling - suggesting the relationship is more nuanced. We also find that legibility degrades on harder questions. We discuss potential hypotheses for these results, including steganography, training artifacts, and vestigial tokens. These results suggest that without explicit optimization for legibility, outcome-based RL naturally produces models with increasingly opaque reasoning processes, potentially undermining monitoring approaches.
Authors: Austin Meek, Eitan Sprejer, Iv\'an Arcuschin, Austin J. Brockmeier, Steven Basart
Abstract: Chain-of-thought (CoT) outputs let us read a model's step-by-step reasoning. Since any long, serial reasoning process must pass through this textual trace, the quality of the CoT is a direct window into what the model is thinking. This visibility could help us spot unsafe or misaligned behavior (monitorability), but only if the CoT is transparent about its internal reasoning (faithfulness). Fully measuring faithfulness is difficult, so researchers often focus on examining the CoT in cases where the model changes its answer after adding a cue to the input. This proxy finds some instances of unfaithfulness but loses information when the model maintains its answer, and does not investigate aspects of reasoning not tied to the cue. We extend these results to a more holistic sense of monitorability by introducing verbosity: whether the CoT lists every factor needed to solve the task. We combine faithfulness and verbosity into a single monitorability score that shows how well the CoT serves as the model's external `working memory', a property that many safety schemes based on CoT monitoring depend on. We evaluate instruction-tuned and reasoning models on BBH, GPQA, and MMLU. Our results show that models can appear faithful yet remain hard to monitor when they leave out key factors, and that monitorability differs sharply across model families. We release our evaluation code using the Inspect library to support reproducible future work.
Authors: Junkang Liu, Fanhua Shang, Junchao Zhou, Hongying Liu, Yuanyuan Liu, Jin Liu
Abstract: The core bottleneck of Federated Learning (FL) lies in the communication rounds. That is, how to achieve more effective local updates is crucial for reducing communication rounds. Existing FL methods still primarily use element-wise local optimizers (Adam/SGD), neglecting the geometric structure of the weight matrices. This often leads to the amplification of pathological directions in the weights during local updates, leading deterioration in the condition number and slow convergence. Therefore, we introduce the Muon optimizer in local, which has matrix orthogonalization to optimize matrix-structured parameters. Experimental results show that, in IID setting, Local Muon significantly accelerates the convergence of FL and reduces communication rounds compared to Local SGD and Local AdamW. However, in non-IID setting, independent matrix orthogonalization based on the local distributions of each client induces strong client drift. Applying Muon in non-IID FL poses significant challenges: (1) client preconditioner leading to client drift; (2) moment reinitialization. To address these challenges, we propose a novel Federated Muon optimizer (FedMuon), which incorporates two key techniques: (1) momentum aggregation, where clients use the aggregated momentum for local initialization; (2) local-global alignment, where the local gradients are aligned with the global update direction to significantly reduce client drift. Theoretically, we prove that \texttt{FedMuon} achieves a linear speedup convergence rate without the heterogeneity assumption, where $S$ is the number of participating clients per round, $K$ is the number of local iterations, and $R$ is the total number of communication rounds. Empirically, we validate the effectiveness of FedMuon on language and vision models. Compared to several baselines, FedMuon significantly reduces communication rounds and improves test accuracy.
Authors: Bruno Puri, Jim Berend, Sebastian Lapuschkin, Wojciech Samek
Abstract: Interpretability is crucial for building safe, reliable, and controllable language models, yet existing interpretability pipelines remain costly and difficult to scale. Interpreting a new model typically requires costly training of model-specific sparse autoencoders, manual or semi-automated labeling of SAE components, and their subsequent validation. We introduce Atlas-Alignment, a framework for transferring interpretability across language models by aligning unknown latent spaces to a Concept Atlas - a labeled, human-interpretable latent space - using only shared inputs and lightweight representational alignment techniques. Once aligned, this enables two key capabilities in previously opaque models: (1) semantic feature search and retrieval, and (2) steering generation along human-interpretable atlas concepts. Through quantitative and qualitative evaluations, we show that simple representational alignment methods enable robust semantic retrieval and steerable generation without the need for labeled concept data. Atlas-Alignment thus amortizes the cost of explainable AI and mechanistic interpretability: by investing in one high-quality Concept Atlas, we can make many new models transparent and controllable at minimal marginal cost.
Authors: Meenu Ravi, Shailik Sarkar, Yanshen Sun, Vaishnavi Singh, Chang-Tien Lu
Abstract: Understanding post-wildfire vegetation loss is critical for developing effective ecological recovery strategies and is often challenging due to the extended time and effort required to capture the evolving ecosystem features. Recent works in this area have not fully explored all the contributing factors, their modalities, and interactions with each other. Furthermore, most research in this domain is limited by a lack of interpretability in predictive modeling, making it less useful in real-world settings. In this work, we propose a novel end-to-end ML pipeline called MVeLMA (\textbf{M}ultimodal \textbf{Ve}getation \textbf{L}oss \textbf{M}odeling \textbf{A}rchitecture) to predict county-wise vegetation loss from fire events. MVeLMA uses a multimodal feature integration pipeline and a stacked ensemble-based architecture to capture different modalities while also incorporating uncertainty estimation through probabilistic modeling. Through comprehensive experiments, we show that our model outperforms several state-of-the-art (SOTA) and baseline models in predicting post-wildfire vegetation loss. Furthermore, we generate vegetation loss confidence maps to identify high-risk counties, thereby helping targeted recovery efforts. The findings of this work have the potential to inform future disaster relief planning, ecological policy development, and wildlife recovery management.
Authors: Angelica Liguori, Ettore Ritacco, Pietro Sabatino, Annalisa Socievole
Abstract: Graphs are central to modeling complex systems in domains such as social networks, molecular chemistry, and neuroscience. While Graph Neural Networks, particularly Graph Convolutional Networks, have become standard tools for graph learning, they remain constrained by reliance on fixed structures and susceptibility to over-smoothing. We propose the Spectral Preservation Network, a new framework for graph representation learning that generates reduced graphs serving as faithful proxies of the original, enabling downstream tasks such as community detection, influence propagation, and information diffusion at a reduced computational cost. The Spectral Preservation Network introduces two key components: the Joint Graph Evolution layer and the Spectral Concordance loss. The former jointly transforms both the graph topology and the node feature matrix, allowing the structure and attributes to evolve adaptively across layers and overcoming the rigidity of static neighborhood aggregation. The latter regularizes these transformations by enforcing consistency in both the spectral properties of the graph and the feature vectors of the nodes. We evaluate the effectiveness of Spectral Preservation Network on node-level sparsification by analyzing well-established metrics and benchmarking against state-of-the-art methods. The experimental results demonstrate the superior performance and clear advantages of our approach.
Authors: Bernardo Williams, Victor M. Yeom-Song, Marcelo Hartmann, Arto Klami
Abstract: We propose a method for learning and sampling from probability distributions supported on the simplex. Our approach maps the open simplex to Euclidean space via smooth bijections, leveraging the Aitchison geometry to define the mappings, and supports modeling categorical data by a Dirichlet interpolation that dequantizes discrete observations into continuous ones. This enables density modeling in Euclidean space through the bijection while still allowing exact recovery of the original discrete distribution. Compared to previous methods that operate on the simplex using Riemannian geometry or custom noise processes, our approach works in Euclidean space while respecting the Aitchison geometry, and achieves competitive performance on both synthetic and real-world data sets.
Authors: Uzay Macar, Paul C. Bogdan, Senthooran Rajamanoharan, Neel Nanda
Abstract: Most work interpreting reasoning models studies only a single chain-of-thought (CoT), yet these models define distributions over many possible CoTs. We argue that studying a single sample is inadequate for understanding causal influence and the underlying computation. Though fully specifying this distribution is intractable, it can be understood by sampling. We present case studies using resampling to investigate model decisions. First, when a model states a reason for its action, does that reason actually cause the action? In "agentic misalignment" scenarios, we resample specific sentences to measure their downstream effects. Self-preservation sentences have small causal impact, suggesting they do not meaningfully drive blackmail. Second, are artificial edits to CoT sufficient for steering reasoning? These are common in literature, yet take the model off-policy. Resampling and selecting a completion with the desired property is a principled on-policy alternative. We find off-policy interventions yield small and unstable effects compared to resampling in decision-making tasks. Third, how do we understand the effect of removing a reasoning step when the model may repeat it post-edit? We introduce a resilience metric that repeatedly resamples to prevent similar content from reappearing downstream. Critical planning statements resist removal but have large effects when eliminated. Fourth, since CoT is sometimes "unfaithful", can our methods teach us anything in these settings? Adapting causal mediation analysis, we find that hints that have a causal effect on the output without being explicitly mentioned exert a subtle and cumulative influence on the CoT that persists even if the hint is removed. Overall, studying distributions via resampling enables reliable causal analysis, clearer narratives of model reasoning, and principled CoT interventions.
Authors: Junkang Liu, Fanhua Shang, Kewen Zhu, Hongying Liu, Yuanyuan Liu, Jin Liu
Abstract: AdamW has become one of the most effective optimizers for training large-scale models. We have also observed its effectiveness in the context of federated learning (FL). However, directly applying AdamW in federated learning settings poses significant challenges: (1) due to data heterogeneity, AdamW often yields high variance in the second-moment estimate $\boldsymbol{v}$; (2) the local overfitting of AdamW may cause client drift; and (3) Reinitializing moment estimates ($\boldsymbol{v}$, $\boldsymbol{m}$) at each round slows down convergence. To address these challenges, we propose the first \underline{Fed}erated \underline{AdamW} algorithm, called \texttt{FedAdamW}, for training and fine-tuning various large models. \texttt{FedAdamW} aligns local updates with the global update using both a \textbf{local correction mechanism} and decoupled weight decay to mitigate local overfitting. \texttt{FedAdamW} efficiently aggregates the \texttt{mean} of the second-moment estimates to reduce their variance and reinitialize them. Theoretically, we prove that \texttt{FedAdamW} achieves a linear speedup convergence rate of $\mathcal{O}(\sqrt{(L \Delta \sigma_l^2)/(S K R \epsilon^2)}+(L \Delta)/R)$ without \textbf{heterogeneity assumption}, where $S$ is the number of participating clients per round, $K$ is the number of local iterations, and $R$ is the total number of communication rounds. We also employ PAC-Bayesian generalization analysis to explain the effectiveness of decoupled weight decay in local training. Empirically, we validate the effectiveness of \texttt{FedAdamW} on language and vision Transformer models. Compared to several baselines, \texttt{FedAdamW} significantly reduces communication rounds and improves test accuracy. The code is available in https://github.com/junkangLiu0/FedAdamW.
Authors: Haorui Li, Weitao Du, Yuqiang Li, Hongyu Guo, Shengchao Liu
Abstract: Transformer-based autoregressive models have emerged as a unifying paradigm across modalities such as text and images, but their extension to 3D molecule generation remains underexplored. The gap stems from two fundamental challenges: (1) tokenizing molecules into a canonical 1D sequence of tokens that is invariant to both SE(3) transformations and atom index permutations, and (2) designing an architecture capable of modeling hybrid atom-based tokens that couple discrete atom types with continuous 3D coordinates. To address these challenges, we introduce InertialAR. InertialAR devises a canonical tokenization that aligns molecules to their inertial frames and reorders atoms to ensure SE(3) and permutation invariance. Moreover, InertialAR equips the attention mechanism with geometric awareness via geometric rotary positional encoding (GeoRoPE). In addition, it utilizes a hierarchical autoregressive paradigm to predict the next atom-based token, predicting the atom type first and then its 3D coordinates via Diffusion loss. Experimentally, InertialAR achieves state-of-the-art performance on 7 of the 10 evaluation metrics for unconditional molecule generation across QM9, GEOM-Drugs, and B3LYP. Moreover, it significantly outperforms strong baselines in controllable generation for targeted chemical functionality, attaining state-of-the-art results across all 5 metrics.
Authors: Junkang Liu, Yuxuan Tian, Fanhua Shang, Yuanyuan Liu, Hongying Liu, Junchao Zhou, Daorui Ding
Abstract: To prevent inference attacks in Federated Learning (FL) and reduce the leakage of sensitive information, Client-level Differentially Private Federated Learning (CL-DPFL) is widely used. However, current CL-DPFL methods usually result in sharper loss landscapes, which leads to a decrease in model generalization after differential privacy protection. By using Sharpness Aware Minimization (SAM), the current popular federated learning methods are to find a local flat minimum value to alleviate this problem. However, the local flatness may not reflect the global flatness in CL-DPFL. Therefore, to address this issue and seek global flat minima of models, we propose a new CL-DPFL algorithm, DP-FedPGN, in which we introduce a global gradient norm penalty to the local loss to find the global flat minimum. Moreover, by using our global gradient norm penalty, we not only find a flatter global minimum but also reduce the locally updated norm, which means that we further reduce the error of gradient clipping. From a theoretical perspective, we analyze how DP-FedPGN mitigates the performance degradation caused by DP. Meanwhile, the proposed DP-FedPGN algorithm eliminates the impact of data heterogeneity and achieves fast convergence. We also use R\'enyi DP to provide strict privacy guarantees and provide sensitivity analysis for local updates. Finally, we conduct effectiveness tests on both ResNet and Transformer models, and achieve significant improvements in six visual and natural language processing tasks compared to existing state-of-the-art algorithms. The code is available at https://github.com/junkangLiu0/DP-FedPGN
Authors: Zherui Yang, Zhehao Li, Kangbo Lyu, Yixuan Li, Tao Du, Ligang Liu
Abstract: The conjugate gradient solver (CG) is a prevalent method for solving symmetric and positive definite linear systems Ax=b, where effective preconditioners are crucial for fast convergence. Traditional preconditioners rely on prescribed algorithms to offer rigorous theoretical guarantees, while limiting their ability to exploit optimization from data. Existing learning-based methods often utilize Graph Neural Networks (GNNs) to improve the performance and speed up the construction. However, their reliance on incomplete factorization leads to significant challenges: the associated triangular solve hinders GPU parallelization in practice, and introduces long-range dependencies which are difficult for GNNs to model. To address these issues, we propose a learning-based method to generate GPU-friendly preconditioners, particularly using GNNs to construct Sparse Approximate Inverse (SPAI) preconditioners, which avoids triangular solves and requires only two matrix-vector products at each CG step. The locality of matrix-vector product is compatible with the local propagation mechanism of GNNs. The flexibility of GNNs also allows our approach to be applied in a wide range of scenarios. Furthermore, we introduce a statistics-based scale-invariant loss function. Its design matches CG's property that the convergence rate depends on the condition number, rather than the absolute scale of A, leading to improved performance of the learned preconditioner. Evaluations on three PDE-derived datasets and one synthetic dataset demonstrate that our method outperforms standard preconditioners (Diagonal, IC, and traditional SPAI) and previous learning-based preconditioners on GPUs. We reduce solution time on GPUs by 40%-53% (68%-113% faster), along with better condition numbers and superior generalization performance. Source code available at https://github.com/Adversarr/LearningSparsePreconditioner4GPU
URLs: https://github.com/Adversarr/LearningSparsePreconditioner4GPU
Authors: Th\'eo Gnassounou, Yessin Moakher, Shifeng Xie, Vasilii Feofanov, Ievgen Redko
Abstract: Foundation models for time series are emerging as powerful general-purpose backbones, yet their potential for domain-specific biomedical signals such as electroencephalography (EEG) remains rather unexplored. In this work, we investigate the applicability a recently proposed time series classification foundation model, to a different EEG tasks such as motor imagery classification and sleep stage prediction. We test two pretraining regimes: (a) pretraining on heterogeneous real-world time series from multiple domains, and (b) pretraining on purely synthetic data. We find that both variants yield strong performance, consistently outperforming EEGNet, a widely used convolutional baseline, and CBraMod, the most recent EEG-specific foundation model. These results suggest that generalist time series foundation models, even when pretrained on data of non-neural origin or on synthetic signals, can transfer effectively to EEG. Our findings highlight the promise of leveraging cross-domain pretrained models for brain signal analysis, suggesting that EEG may benefit from advances in the broader time series literature.
Authors: J. Poole, N. Dervilis, K. Worden, P. Gardner, V. Giglioni, R. S. Mills, A. J. Hughes
Abstract: Data for training structural health monitoring (SHM) systems are often expensive and/or impractical to obtain, particularly for labelled data. Population-based SHM (PBSHM) aims to address this limitation by leveraging data from multiple structures. However, data from different structures will follow distinct distributions, potentially leading to large generalisation errors for models learnt via conventional machine learning methods. To address this issue, transfer learning -- in the form of domain adaptation (DA) -- can be used to align the data distributions. Most previous approaches have only considered \emph{unsupervised} DA, where no labelled target data are available; they do not consider how to incorporate these technologies in an online framework -- updating as labels are obtained throughout the monitoring campaign. This paper proposes a Bayesian framework for DA in PBSHM, that can improve unsupervised DA mappings using a limited quantity of labelled target data. In addition, this model is integrated into an active sampling strategy to guide inspections to select the most informative observations to label -- leading to further reductions in the required labelled data to learn a target classifier. The effectiveness of this methodology is evaluated on a population of experimental bridges. Specifically, this population includes data corresponding to several damage states, as well as, a comprehensive set of environmental conditions. It is found that combining transfer learning and active learning can improve data efficiency when learning classification models in label-scarce scenarios. This result has implications for data-informed operation and maintenance of structures, suggesting a reduction in inspections over the operational lifetime of a structure -- and therefore a reduction in operational costs -- can be achieved.
Authors: Yuxiang Chen, Xiaoming Xu, Pengle Zhang, Michael Beyer, Martin Rapp, Jun Zhu, Jianfei Chen
Abstract: Large Language Models (LLMs) training is prohibitively expensive, driving interest in low-precision fully-quantized training (FQT). While novel 4-bit formats like NVFP4 offer substantial efficiency gains, achieving near-lossless training at such low precision remains challenging. We introduce TetraJet-v2, an end-to-end 4-bit FQT method that leverages NVFP4 for activations, weights, and gradients in all linear layers. We identify two critical issues hindering low-precision LLM training: weight oscillation and outliers. To address these, we propose: 1) an unbiased double-block quantization method for NVFP4 linear layers, 2) OsciReset, an algorithm to suppress weight oscillation, and 3) OutControl, an algorithm to retain outlier accuracy. TetraJet-v2 consistently outperforms prior FP4 training methods on pre-training LLMs across varying model sizes up to 370M and data sizes up to 200B tokens, reducing the performance gap to full-precision training by an average of 51.3%.
Authors: Mohammad Zahangir Alam, Khandoker Ashik Uz Zaman, Mahdi H. Miraz
Abstract: Retrieval-Augmented Generation (RAG) shows significant promise in knowledge-intensive tasks by improving domain specificity, enhancing temporal relevance, and reducing hallucinations. However, applying RAG to finance encounters critical challenges: restricted access to proprietary datasets, limited retrieval accuracy, regulatory constraints, and sensitive data interpretation. We introduce AstuteRAG-FQA, an adaptive RAG framework tailored for Financial Question Answering (FQA), leveraging task-aware prompt engineering to address these challenges. The framework uses a hybrid retrieval strategy integrating both open-source and proprietary financial data while maintaining strict security protocols and regulatory compliance. A dynamic prompt framework adapts in real time to query complexity, improving precision and contextual relevance. To systematically address diverse financial queries, we propose a four-tier task classification: explicit factual, implicit factual, interpretable rationale, and hidden rationale involving implicit causal reasoning. For each category, we identify key challenges, datasets, and optimization techniques within the retrieval and generation process. The framework incorporates multi-layered security mechanisms including differential privacy, data anonymization, and role-based access controls to protect sensitive financial information. Additionally, AstuteRAG-FQA implements real-time compliance monitoring through automated regulatory validation systems that verify responses against industry standards and legal obligations. We evaluate three data integration techniques - contextual embedding, small model augmentation, and targeted fine-tuning - analyzing their efficiency and feasibility across varied financial environments.
Authors: Zhuohan Wang, Ziwei Zhu, Ziniu Li, Congliang Chen, Yizhou Han, Yufeng Lin, Zhihang Lin, Angyang Gu, Xinglin Hu, Ruoyu Sun, Tian Ding
Abstract: Formulating optimization problems for industrial applications demands significant manual effort and domain expertise. While Large Language Models (LLMs) show promise in automating this process, evaluating their performance remains difficult due to the absence of robust metrics. Existing solver-based approaches often face inconsistency, infeasibility issues, and high computational costs. To address these issues, we propose ORGEval, a graph-theoretic evaluation framework for assessing LLMs' capabilities in formulating linear and mixed-integer linear programs. ORGEval represents optimization models as graphs, reducing equivalence detection to graph isomorphism testing. We identify and prove a sufficient condition, when the tested graphs are symmetric decomposable (SD), under which the Weisfeiler-Lehman (WL) test is guaranteed to correctly detect isomorphism. Building on this, ORGEval integrates a tailored variant of the WL-test with an SD detection algorithm to evaluate model equivalence. By focusing on structural equivalence rather than instance-level configurations, ORGEval is robust to numerical variations. Experimental results show that our method can successfully detect model equivalence and produce 100\% consistent results across random parameter configurations, while significantly outperforming solver-based methods in runtime, especially on difficult problems. Leveraging ORGEval, we construct the Bench4Opt dataset and benchmark state-of-the-art LLMs on optimization modeling. Our results reveal that although optimization modeling remains challenging for all LLMs, DeepSeek-V3 and Claude-Opus-4 achieve the highest accuracies under direct prompting, outperforming even leading reasoning models.
Authors: Sivaraman Balakrishnan, Nika Haghtalab, Daniel Hsu, Brian Lee, Eric Zhao
Abstract: Supervised learning is classically formulated as training a model to minimize a fixed loss function over a fixed distribution, or task. However, an emerging paradigm instead views model training as extracting enough information from data so that the model can be used to minimize many losses on many downstream tasks. We formalize a mathematical framework for this paradigm, which we call panprediction, and study its statistical complexity. Formally, panprediction generalizes omniprediction and sits upstream from multi-group learning, which respectively focus on predictions that generalize to many downstream losses or many downstream tasks, but not both. Concretely, we design algorithms that learn deterministic and randomized panpredictors with $\tilde{O}(1/\varepsilon^3)$ and $\tilde{O}(1/\varepsilon^2)$ samples, respectively. Our results demonstrate that under mild assumptions, simultaneously minimizing infinitely many losses on infinitely many tasks can be as statistically easy as minimizing one loss on one task. Along the way, we improve the best known sample complexity guarantee of deterministic omniprediction by a factor of $1/\varepsilon$, and match all other known sample complexity guarantees of omniprediction and multi-group learning. Our key technical ingredient is a nearly lossless reduction from panprediction to a statistically efficient notion of calibration, called step calibration.
Authors: Jakob Hackstein, Sidney Bender
Abstract: Class imbalance poses a fundamental challenge in machine learning, frequently leading to unreliable classification performance. While prior methods focus on data- or loss-reweighting schemes, we view imbalance as a data condition that amplifies Clever Hans (CH) effects by underspecification of minority classes. In a counterfactual explanations-based approach, we propose to leverage Explainable AI to jointly identify and eliminate CH effects emerging under imbalance. Our method achieves competitive classification performance on three datasets and demonstrates how CH effects emerge under imbalance, a perspective largely overlooked by existing approaches.
Authors: Shuyan Lyu, Zhanzimo Wu, Junliang Du
Abstract: Modern deep neural networks (DNNs) are typically trained with a global cross-entropy loss in a supervised end-to-end manner: neurons need to store their outgoing weights; training alternates between a forward pass (computation) and a top-down backward pass (learning) which is biologically implausible. Alternatively, greedy layer-wise training eliminates the need for cross-entropy loss and backpropagation. By avoiding the computation of intermediate gradients and the storage of intermediate outputs, it reduces memory usage and helps mitigate issues such as vanishing or exploding gradients. However, most existing layer-wise training approaches have been evaluated only on relatively small datasets with simple deep architectures. In this paper, we first systematically analyze the training dynamics of popular convolutional neural networks (CNNs) trained by stochastic gradient descent (SGD) through an information-theoretic lens. Our findings reveal that networks converge layer-by-layer from bottom to top and that the flow of information adheres to a Markov information bottleneck principle. Building on these observations, we propose a novel layer-wise training approach based on the recently developed deterministic information bottleneck (DIB) and the matrix-based R\'enyi's $\alpha$-order entropy functional. Specifically, each layer is trained jointly with an auxiliary classifier that connects directly to the output layer, enabling the learning of minimal sufficient task-relevant representations. We empirically validate the effectiveness of our training procedure on CIFAR-10 and CIFAR-100 using modern deep CNNs and further demonstrate its applicability to a practical task involving traffic sign recognition. Our approach not only outperforms existing layer-wise training baselines but also achieves performance comparable to SGD.
Authors: Alireza Saleh Abadi, Leen-Kiat Soh
Abstract: In the rapidly evolving field of multi-agent reinforcement learning (MARL), understanding the dynamics of open systems is crucial. Openness in MARL refers to the dynam-ic nature of agent populations, tasks, and agent types with-in a system. Specifically, there are three types of openness as reported in (Eck et al. 2023) [2]: agent openness, where agents can enter or leave the system at any time; task openness, where new tasks emerge, and existing ones evolve or disappear; and type openness, where the capabil-ities and behaviors of agents change over time. This report provides a conceptual and empirical review, focusing on the interplay between openness and the credit assignment problem (CAP). CAP involves determining the contribution of individual agents to the overall system performance, a task that becomes increasingly complex in open environ-ments. Traditional credit assignment (CA) methods often assume static agent populations, fixed and pre-defined tasks, and stationary types, making them inadequate for open systems. We first conduct a conceptual analysis, in-troducing new sub-categories of openness to detail how events like agent turnover or task cancellation break the assumptions of environmental stationarity and fixed team composition that underpin existing CAP methods. We then present an empirical study using representative temporal and structural algorithms in an open environment. The results demonstrate that openness directly causes credit misattribution, evidenced by unstable loss functions and significant performance degradation.
Authors: Shang Wang
Abstract: The demand for efficient natural language processing (NLP) systems has led to the development of lightweight language models. Previous work in this area has primarily focused on manual design or training-based neural architecture search (NAS) methods. Recently, zero-shot NAS methods have been proposed for evaluating language models without the need for training. However, prevailing approaches to zero-shot NAS often face challenges such as biased evaluation metrics and computational inefficiencies. In this paper, we introduce weight-weighted PCA (W-PCA), a novel zero-shot NAS method specifically tailored for lightweight language models. Our approach utilizes two evaluation proxies: the parameter count and the number of principal components with cumulative contribution exceeding $\eta$ in the feed-forward neural (FFN) layer. Additionally, by eliminating the need for gradient computations, we optimize the evaluation time, thus enhancing the efficiency of designing and evaluating lightweight language models. We conduct a comparative analysis on the GLUE and SQuAD datasets to evaluate our approach. The results demonstrate that our method significantly reduces training time compared to one-shot NAS methods and achieves higher scores in the testing phase compared to previous state-of-the-art training-based methods. Furthermore, we perform ranking evaluations on a dataset sampled from the FlexiBERT search space. Our approach exhibits superior ranking correlation and further reduces solving time compared to other zero-shot NAS methods that require gradient computation.
Authors: Shang Wang, Huanrong Tang, Jianquan Ouyang
Abstract: This paper proposes a neural architecture search space using ResNet as a framework, with search objectives including parameters for convolution, pooling, fully connected layers, and connectivity of the residual network. In addition to recognition accuracy, this paper uses the loss value on the validation set as a secondary objective for optimization. The experimental results demonstrate that the search space of this paper together with the optimisation approach can find competitive network architectures on the MNIST, Fashion-MNIST and CIFAR100 datasets.
Authors: Shang Wang, Huanrong Tang, Jianquan Ouyang
Abstract: This paper presents a neural architecture search method based on Transformer architecture, searching cross multihead attention computation ways for different number of encoder and decoder combinations. In order to search for neural network structures with better translation results, we considered perplexity as an auxiliary evaluation metric for the algorithm in addition to BLEU scores and iteratively improved each individual neural network within the population by a multi-objective genetic algorithm. Experimental results show that the neural network structures searched by the algorithm outperform all the baseline models, and that the introduction of the auxiliary evaluation metric can find better models than considering only the BLEU score as an evaluation metric.
Authors: Yuhan Tang
Abstract: Type 2 diabetes prevention and treatment can benefit from personalized lifestyle prescriptions. However, the delivery of personalized lifestyle medicine prescriptions is limited by the shortage of trained professionals and the variability in physicians' expertise. We propose an offline contextual bandit approach that learns individualized lifestyle prescriptions from the aggregated NHANES profiles of 119,555 participants by minimizing the Magni glucose risk-reward function. The model encodes patient status and generates lifestyle medicine prescriptions, which are trained using a mixed-action Soft Actor-Critic algorithm. The task is treated as a single-step contextual bandit. The model is validated against lifestyle medicine prescriptions issued by three certified physicians from Xiangya Hospital. These results demonstrate that offline mixed-action SAC can generate risk-aware lifestyle medicine prescriptions from cross-sectional NHANES data, warranting prospective clinical validation.
Authors: Audrey Dong, Claire Xu, Samuel R. Guo, Kevin Yang, Xue-Jun Kong
Abstract: Caregivers of individuals with autism spectrum disorder (ASD) often find the 77-item Autism Treatment Evaluation Checklist (ATEC) burdensome, limiting its use for routine monitoring. This study introduces a generalizable machine learning framework that seeks to shorten assessments while maintaining evaluative accuracy. Using longitudinal ATEC data from 60 autistic children receiving therapy, we applied feature selection and cross-validation techniques to identify the most predictive items across two assessment goals: longitudinal therapy tracking and point-in-time severity estimation. For progress monitoring, the framework identified 16 items (21% of the original questionnaire) that retained strong correlation with total score change and full subdomain coverage. We also generated smaller subsets (1-7 items) for efficient approximations. For point-in-time severity assessment, our model achieved over 80% classification accuracy using just 13 items (17% of the original set). While demonstrated on ATEC, the methodology-based on subset optimization, model interpretability, and statistical rigor-is broadly applicable to other high-dimensional psychometric tools. The resulting framework could potentially enable more accessible, frequent, and scalable assessments and offer a data-driven approach for AI-supported interventions across neurodevelopmental and psychiatric contexts.
Authors: Angela Davey, Arthur Leroy, Eliana Vasquez Osorio, Kate Vaughan, Peter Clayton, Marcel van Herk, Mauricio A Alvarez, Martin McCabe, Marianne Aznar
Abstract: Survivors of childhood cancer need lifelong monitoring for side effects from radiotherapy. However, longitudinal data from routine monitoring is often infrequently and irregularly sampled, and subject to inaccuracies. Due to this, measurements are often studied in isolation, or simple relationships (e.g., linear) are used to impute missing timepoints. In this study, we investigated the potential role of Gaussian Processes (GP) modelling to make population-based and individual predictions, using insulin-like growth factor 1 (IGF-1) measurements as a test case. With training data of 23 patients with a median (range) of 4 (1-16) timepoints we identified a trend within the range of literature reported values. In addition, with 8 test cases, individual predictions were made with an average root mean squared error of 31.9 (10.1 - 62.3) ng/ml and 27.4 (0.02 - 66.1) ng/ml for two approaches. GP modelling may overcome limitations of routine longitudinal data and facilitate analysis of late effects of radiotherapy.
Authors: Dipal Shah (School of Natural Resources, University of Missouri, Columbia, MO, USA), Jordon Wade (Crop Protection Research & Development, Syngenta Group, Basel, Switzerland), Timothy Haithcoat (Institute for Data Science and Informatics, University of Missouri, Columbia, MO, USA), Robert Myers (School of Plant Science & Technology, University of Missouri, Columbia, MO, USA), Kelly Wilson (School of Natural Resources, University of Missouri, Columbia, MO, USA)
Abstract: Effective soil health management is crucial for sustaining agriculture, adopting ecosystem resilience, and preserving water quality. However, Missouri's diverse landscapes limit the effectiveness of broad generalized management recommendations. The lack of resolution in existing soil grouping systems necessitates data driven, site specific insights to guide tailored interventions. To address these critical challenges, a regional soil clustering framework designed to support precision soil health management strategies across the state. The methodology leveraged high resolution SSURGO dataset, explicitly processing soil properties aggregated across the 0 to 30 cm root zone. Multivariate analysis incorporating a variational autoencoder and KMeans clustering was used to group soils with similar properties. The derived clusters were validated using statistical metrics, including silhouette scores and checks against existing taxonomic units, to confirm their spatial coherence. This approach enabled us to delineate soil groups that capture textures, hydraulic properties, chemical fertility, and biological indicators unique to Missouri's diverse agroecological regions. The clustering map identified ten distinct soil health management zones. This alignment of 10 clusters was selected as optimal because it was sufficiently large to capture inherited soil patterns while remaining manageable for practical statewide application. Rooting depth limitation and saturated hydraulic conductivity emerged as principal variables driving soil differentiation. Each management zone is defined by a unique combination of clay, organic matter, pH, and available water capacity. This framework bridges sophisticated data analysis with actionable, site targeted recommendations, enabling conservation planners, and agronomists to optimize management practices and enhance resource efficiency statewide.
Authors: Simon Yu, Peilin Yu, Hongbo Zheng, Huajie Shao, Han Zhao, Lui Sha
Abstract: We present VISAT, a novel open dataset and benchmarking suite for evaluating model robustness in the task of traffic sign recognition with the presence of visual attributes. Built upon the Mapillary Traffic Sign Dataset (MTSD), our dataset introduces two benchmarks that respectively emphasize robustness against adversarial attacks and distribution shifts. For our adversarial attack benchmark, we employ the state-of-the-art Projected Gradient Descent (PGD) method to generate adversarial inputs and evaluate their impact on popular models. Additionally, we investigate the effect of adversarial attacks on attribute-specific multi-task learning (MTL) networks, revealing spurious correlations among MTL tasks. The MTL networks leverage visual attributes (color, shape, symbol, and text) that we have created for each traffic sign in our dataset. For our distribution shift benchmark, we utilize ImageNet-C's realistic data corruption and natural variation techniques to perform evaluations on the robustness of both base and MTL models. Moreover, we further explore spurious correlations among MTL tasks through synthetic alterations of traffic sign colors using color quantization techniques. Our experiments focus on two major backbones, ResNet-152 and ViT-B/32, and compare the performance between base and MTL models. The VISAT dataset and benchmarking framework contribute to the understanding of model robustness for traffic sign recognition, shedding light on the challenges posed by adversarial attacks and distribution shifts. We believe this work will facilitate advancements in developing more robust models for real-world applications in autonomous driving and cyber-physical systems.
Authors: Chen Wang, Xunzhuo Liu, Yue Zhu, Alaa Youssef, Priya Nagpurkar, Huamin Chen
Abstract: LLM serving systems process heterogeneous query workloads where different categories exhibit different characteristics. Code queries cluster densely in embedding space while conversational queries distribute sparsely. Content staleness varies from minutes (stock data) to months (code patterns). Query repetition patterns range from power-law (code) to uniform (conversation), producing long tail cache hit rate distributions: high-repetition categories achieve 40-60% hit rates while low-repetition or volatile categories achieve 5-15% hit rates. Vector databases must exclude the long tail because remote search costs (30ms) require 15--20% hit rates to break even, leaving 20-30% of production traffic uncached. Uniform cache policies compound this problem: fixed thresholds cause false positives in dense spaces and miss valid paraphrases in sparse spaces; fixed TTLs waste memory or serve stale data. This paper presents category-aware semantic caching where similarity thresholds, TTLs, and quotas vary by query category. We present a hybrid architecture separating in-memory HNSW search from external document storage, reducing miss cost from 30ms to 2ms. This reduction makes low-hit-rate categories economically viable (break-even at 3-5% versus 15-20%), enabling cache coverage across the entire workload distribution. Adaptive load-based policies extend this framework to respond to downstream model load, dynamically adjusting thresholds and TTLs to reduce traffic to overloaded models by 9-17% in theoretical projections.
Authors: Amine Razig, Youssef Soulaymani, Loubna Benabbou, Pierre Cauchy
Abstract: Automated monitoring of marine mammals in the St. Lawrence Estuary faces extreme challenges: calls span low-frequency moans to ultrasonic clicks, often overlap, and are embedded in variable anthropogenic and environmental noise. We introduce a multi-step, attention-guided framework that first segments spectrograms to generate soft masks of biologically relevant energy and then fuses these masks with the raw inputs for multi-band, denoised classification. Image and mask embeddings are integrated via mid-level fusion, enabling the model to focus on salient spectrogram regions while preserving global context. Using real-world recordings from the Saguenay St. Lawrence Marine Park Research Station in Canada, we demonstrate that segmentation-driven attention and mid-level fusion improve signal discrimination, reduce false positive detections, and produce reliable representations for operational marine mammal monitoring across diverse environmental conditions and signal-to-noise ratios. Beyond in-distribution evaluation, we further assess the generalization of Mask-Guided Classification (MGC) under distributional shifts by testing on spectrograms generated with alternative acoustic transformations. While high-capacity baseline models lose accuracy in this Out-of-distribution (OOD) setting, MGC maintains stable performance, with even simple fusion mechanisms (gated, concat) achieving comparable results across distributions. This robustness highlights the capacity of MGC to learn transferable representations rather than overfitting to a specific transformation, thereby reinforcing its suitability for large-scale, real-world biodiversity monitoring. We show that in all experimental settings, the MGC framework consistently outperforms baseline architectures, yielding substantial gains in accuracy on both in-distribution and OOD data.
Authors: Yu Li, Yuan Huang, Tao Wang, Caiyu Fan, Xiansheng Cai, Sihan Hu, Xinzijian Liu, Cheng Shi, Mingjun Xu, Zhen Wang, Yan Wang, Xiangqi Jin, Tianhan Zhang, Linfeng Zhang, Lei Wang, Youjin Deng, Pan Zhang, Weijie Sun, Xingyu Li, Weinan E, Linfeng Zhang, Zhiyuan Yao, Kun Chen
Abstract: Most scientific materials compress reasoning, presenting conclusions while omitting the derivational chains that justify them. This compression hinders verification by lacking explicit, step-wise justifications and inhibits cross-domain links by collapsing the very pathways that establish the logical and causal connections between concepts. We introduce a scalable framework that decompresses scientific reasoning, constructing a verifiable Long Chain-of-Thought (LCoT) knowledge base and projecting it into an emergent encyclopedia, SciencePedia. Our pipeline operationalizes an endpoint-driven, reductionist strategy: a Socratic agent, guided by a curriculum of around 200 courses, generates approximately 3 million first-principles questions. To ensure high fidelity, multiple independent solver models generate LCoTs, which are then rigorously filtered by prompt sanitization and cross-model answer consensus, retaining only those with verifiable endpoints. This verified corpus powers the Brainstorm Search Engine, which performs inverse knowledge search -- retrieving diverse, first-principles derivations that culminate in a target concept. This engine, in turn, feeds the Plato synthesizer, which narrates these verified chains into coherent articles. The initial SciencePedia comprises approximately 200,000 fine-grained entries spanning mathematics, physics, chemistry, biology, engineering, and computation. In evaluations across six disciplines, Plato-synthesized articles (conditioned on retrieved LCoTs) exhibit substantially higher knowledge-point density and significantly lower factual error rates than an equally-prompted baseline without retrieval (as judged by an external LLM). Built on this verifiable LCoT knowledge base, this reasoning-centric approach enables trustworthy, cross-domain scientific synthesis at scale and establishes the foundation for an ever-expanding encyclopedia.
Authors: Francisco Villaescusa-Navarro, Boris Bolliet, Pablo Villanueva-Domingo, Adrian E. Bayer, Aidan Acquah, Chetana Amancharla, Almog Barzilay-Siegal, Pablo Bermejo, Camille Bilodeau, Pablo C\'ardenas Ram\'irez, Miles Cranmer, Urbano L. Fran\c{c}a, ChangHoon Hahn, Yan-Fei Jiang, Raul Jimenez, Jun-Young Lee, Antonio Lerario, Osman Mamun, Thomas Meier, Anupam A. Ojha, Pavlos Protopapas, Shimanto Roy, David N. Spergel, Pedro Taranc\'on-\'Alvarez, Ujjwal Tiwari, Matteo Viel, Digvijay Wadekar, Chi Wang, Bonny Y. Wang, Licong Xu, Yossi Yovel, Shuwen Yue, Wen-Han Zhou, Qiyao Zhu, Jiajun Zou, \'I\~nigo Zubeldia
Abstract: We present Denario, an AI multi-agent system designed to serve as a scientific research assistant. Denario can perform many different tasks, such as generating ideas, checking the literature, developing research plans, writing and executing code, making plots, and drafting and reviewing a scientific paper. The system has a modular architecture, allowing it to handle specific tasks, such as generating an idea, or carrying out end-to-end scientific analysis using Cmbagent as a deep-research backend. In this work, we describe in detail Denario and its modules, and illustrate its capabilities by presenting multiple AI-generated papers generated by it in many different scientific disciplines such as astrophysics, biology, biophysics, biomedical informatics, chemistry, material science, mathematical physics, medicine, neuroscience and planetary science. Denario also excels at combining ideas from different disciplines, and we illustrate this by showing a paper that applies methods from quantum physics and machine learning to astrophysical data. We report the evaluations performed on these papers by domain experts, who provided both numerical scores and review-like feedback. We then highlight the strengths, weaknesses, and limitations of the current system. Finally, we discuss the ethical implications of AI-driven research and reflect on how such technology relates to the philosophy of science. We publicly release the code at https://github.com/AstroPilot-AI/Denario. A Denario demo can also be run directly on the web at https://huggingface.co/spaces/astropilot-ai/Denario, and the full app will be deployed on the cloud.
URLs: https://github.com/AstroPilot-AI/Denario., https://huggingface.co/spaces/astropilot-ai/Denario,
Authors: Elliot L. Epstein, John Winnicki, Thanawat Sornwanee, Rajat Dwaraknath
Abstract: Large language models (LLMs) excel at numerical estimation but struggle to correctly quantify uncertainty. We study how well LLMs construct confidence intervals around their own answers and find that they are systematically overconfident. To evaluate this behavior, we introduce FermiEval, a benchmark of Fermi-style estimation questions with a rigorous scoring rule for confidence interval coverage and sharpness. Across several modern models, nominal 99\% intervals cover the true answer only 65\% of the time on average. With a conformal prediction based approach that adjusts the intervals, we obtain accurate 99\% observed coverage, and the Winkler interval score decreases by 54\%. We also propose direct log-probability elicitation and quantile adjustment methods, which further reduce overconfidence at high confidence levels. Finally, we develop a perception-tunnel theory explaining why LLMs exhibit overconfidence: when reasoning under uncertainty, they act as if sampling from a truncated region of their inferred distribution, neglecting its tails.
Authors: Muhammad Zeeshan Mazhar, Tolga Buz, Yiran Su
Abstract: Online communities for sports fans have surged in popularity, with Reddit's r/PremierLeague emerging as a focal point for fans of one of the globe's most celebrated sports leagues. This boom has helped the Premier League make significant inroads into the US market, increasing viewership and sparking greater interest in its matches. Despite the league's broad appeal, there's still a notable gap in understanding its online fan community. Therefore, we analyzed a substantial dataset of over 1.1 million comments posted from 2013-2022 on r/PremierLeague. Our study delves into the sentiment, topics, and toxicity of these discussions, tracking trends over time, aiming to map out the conversation landscape. The rapid expansion has brought more diverse discussions, but also a worrying rise in negative sentiment and toxicity. Additionally, the subreddit has become a venue for users to voice frustrations about broader societal issues like racism, the COVID-19 pandemic, and political tensions.
Authors: Jared Junkin, Samuel Nathanson
Abstract: Language models are traditionally designed around causal masking. In domains with spatial or relational structure, causal masking is often viewed as inappropriate, and sequential linearizations are instead used. Yet the question of whether it is viable to accept the information loss introduced by causal masking on nonsequential data has received little direct study, in part because few domains offer both spatial and sequential representations of the same dataset. In this work, we investigate this issue in the domain of chess, which naturally supports both representations. We train language models with bidirectional and causal self-attention mechanisms on both spatial (board-based) and sequential (move-based) data. Our results show that models trained on spatial board states - \textit{even with causal masking} - consistently achieve stronger playing strength than models trained on sequential data. While our experiments are conducted on chess, our results are methodological and may have broader implications: applying causal masking to spatial data is a viable procedure for training unimodal LLMs on spatial data, and in some domains is even preferable to sequentialization.
Authors: Alexander Heinlein, Taniya Kapoor
Abstract: Approximating the solutions of boundary value problems governed by partial differential equations with neural networks is challenging, largely due to the difficult training process. This difficulty can be partly explained by the spectral bias, that is, the slower convergence of high-frequency components, and can be mitigated by localizing neural networks via (overlapping) domain decomposition. We combine this localization with the Gauss-Newton method as the optimizer to obtain faster convergence than gradient-based schemes such as Adam; this comes at the cost of solving an ill-conditioned linear system in each iteration. Domain decomposition induces a block-sparse structure in the otherwise dense Gauss-Newton system, reducing the computational cost per iteration. Our numerical results indicate that combining localization and Gauss-Newton optimization is promising for neural network-based solvers for partial differential equations.
Authors: Shang Wang
Abstract: As large pre-trained language models become increasingly critical to natural language understanding (NLU) tasks, their substantial computational and memory requirements have raised significant economic and environmental concerns. Addressing these challenges, this paper introduces the Elastic Language Model (ELM), a novel neural architecture search (NAS) method optimized for compact language models. ELM extends existing NAS approaches by introducing a flexible search space with efficient transformer blocks and dynamic modules for dimension and head number adjustment. These innovations enhance the efficiency and flexibility of the search process, which facilitates more thorough and effective exploration of model architectures. We also introduce novel knowledge distillation losses that preserve the unique characteristics of each block, in order to improve the discrimination between architectural choices during the search process. Experiments on masked language modeling and causal language modeling tasks demonstrate that models discovered by ELM significantly outperform existing methods.
Authors: Dian Chen, Yunkai Chen, Tong Lin, Sijie Chen, Xiaolin Cheng
Abstract: Multimodal approaches that integrate protein structure and sequence have achieved remarkable success in protein-protein interface prediction. However, extending these methods to protein-peptide interactions remains challenging due to the inherent conformational flexibility of peptides and the limited availability of structural data that hinder direct training of structure-aware models. To address these limitations, we introduce GeoPep, a novel framework for peptide binding site prediction that leverages transfer learning from ESM3, a multimodal protein foundation model. GeoPep fine-tunes ESM3's rich pre-learned representations from protein-protein binding to address the limited availability of protein-peptide binding data. The fine-tuned model is further integrated with a parameter-efficient neural network architecture capable of learning complex patterns from sparse data. Furthermore, the model is trained using distance-based loss functions that exploit 3D structural information to enhance binding site prediction. Comprehensive evaluations demonstrate that GeoPep significantly outperforms existing methods in protein-peptide binding site prediction by effectively capturing sparse and heterogeneous binding patterns.
Authors: Michael Kleinman, Matthew Trager, Alessandro Achille, Wei Xia, Stefano Soatto
Abstract: Increasing the thinking budget of AI models can significantly improve accuracy, but not all questions warrant the same amount of reasoning. Users may prefer to allocate different amounts of reasoning effort depending on how they value output quality versus latency and cost. To leverage this tradeoff effectively, users need fine-grained control over the amount of thinking used for a particular query, but few approaches enable such control. Existing methods require users to specify the absolute number of desired tokens, but this requires knowing the difficulty of the problem beforehand to appropriately set the token budget for a query. To address these issues, we propose Adaptive Effort Control, a self-adaptive reinforcement learning method that trains models to use a user-specified fraction of tokens relative to the current average chain-of-thought length for each query. This approach eliminates dataset- and phase-specific tuning while producing better cost-accuracy tradeoff curves compared to standard methods. Users can dynamically adjust the cost-accuracy trade-off through a continuous effort parameter specified at inference time. We observe that the model automatically learns to allocate resources proportionally to the task difficulty and, across model scales ranging from 1.5B to 32B parameters, our approach enables approximately 3x reduction in chain-of-thought length while maintaining or improving performance relative to the base model used for RL training.
Authors: Isaac Malsky, Tiffany Kataria, Natasha E. Batalha, Matthew Graham
Abstract: Radiative transfer calculations are essential for modeling planetary atmospheres. However, standard methods are computationally demanding and impose accuracy-speed trade-offs. High computational costs force numerical simplifications in large models (e.g., General Circulation Models) that degrade the accuracy of the simulation. Radiative transfer calculations are an ideal candidate for machine learning emulation: fundamentally, it is a well-defined physical mapping from a static atmospheric profile to the resulting fluxes, and high-fidelity training data can be created from first principles calculations. We developed a radiative transfer emulator using an encoder-only transformer neural network architecture, trained on 1D profiles representative of solar-composition hot Jupiter atmospheres. Our emulator reproduced bolometric two-stream layer fluxes with mean test set errors of ~1% compared to the traditional method and achieved speedups of 100x. Emulating radiative transfer with machine learning opens up the possibility for faster and more accurate routines within planetary atmospheric models such as GCMs.
Authors: Aaditya Shukla, Sidney Knowles, Meenakshi Madugula, Dave Farris, Ryan Angilly, Santiago Pombo, Anbang Xu, Lu An, Abhinav Balasubramanian, Tan Yu, Jiaxiang Ren, Rama Akkiraju
Abstract: Enterprise AI agents must continuously adapt to maintain accuracy, reduce latency, and remain aligned with user needs. We present a practical implementation of a data flywheel in NVInfo AI, NVIDIA's Mixture-of-Experts (MoE) Knowledge Assistant serving over 30,000 employees. By operationalizing a MAPE-driven data flywheel, we built a closed-loop system that systematically addresses failures in retrieval-augmented generation (RAG) pipelines and enables continuous learning. Over a 3-month post-deployment period, we monitored feedback and collected 495 negative samples. Analysis revealed two major failure modes: routing errors (5.25\%) and query rephrasal errors (3.2\%). Using NVIDIA NeMo microservices, we implemented targeted improvements through fine-tuning. For routing, we replaced a Llama 3.1 70B model with a fine-tuned 8B variant, achieving 96\% accuracy, a 10x reduction in model size, and 70\% latency improvement. For query rephrasal, fine-tuning yielded a 3.7\% gain in accuracy and a 40\% latency reduction. Our approach demonstrates how human-in-the-loop (HITL) feedback, when structured within a data flywheel, transforms enterprise AI agents into self-improving systems. Key learnings include approaches to ensure agent robustness despite limited user feedback, navigating privacy constraints, and executing staged rollouts in production. This work offers a repeatable blueprint for building robust, adaptive enterprise AI agents capable of learning from real-world usage at scale.
Authors: Arman Bolatov, Alan Legg, Igor Melnykov, Amantay Nurlanuly, Maxat Tezekbayev, Zhenisbek Assylbekov
Abstract: This study explores the classification error of Mixture Discriminant Analysis (MDA) in scenarios where the number of mixture components exceeds those present in the actual data distribution, a condition known as overspecification. We use a two-component Gaussian mixture model within each class to fit data generated from a single Gaussian, analyzing both the algorithmic convergence of the Expectation-Maximization (EM) algorithm and the statistical classification error. We demonstrate that, with suitable initialization, the EM algorithm converges exponentially fast to the Bayes risk at the population level. Further, we extend our results to finite samples, showing that the classification error converges to Bayes risk with a rate $n^{-1/2}$ under mild conditions on the initial parameter estimates and sample size. This work provides a rigorous theoretical framework for understanding the performance of overspecified MDA, which is often used empirically in complex data settings, such as image and text classification. To validate our theory, we conduct experiments on remote sensing datasets.
Authors: Dohyeok Lee, Jung Min Lee, Munkyung Kim, Seokhun Ju, Jin Woo Koo, Kyungjae Lee, Dohyeong Kim, TaeHyun Cho, Jungwoo Lee
Abstract: Behavior cloning methods for robot learning suffer from poor generalization due to limited data support beyond expert demonstrations. Recent approaches leveraging video prediction models have shown promising results by learning rich spatiotemporal representations from large-scale datasets. However, these models learn action-agnostic dynamics that cannot distinguish between different control inputs, limiting their utility for precise manipulation tasks and requiring large pretraining datasets. We propose a Dynamics-Aligned Flow Matching Policy (DAP) that integrates dynamics prediction into policy learning. Our method introduces a novel architecture where policy and dynamics models provide mutual corrective feedback during action generation, enabling self-correction and improved generalization. Empirical validation demonstrates generalization performance superior to baseline methods on real-world robotic manipulation tasks, showing particular robustness in OOD scenarios including visual distractions and lighting variations.
Authors: Jinwen Tang, Yi Shang
Abstract: Conventional online surveys provide limited personalization, often resulting in low engagement and superficial responses. Although AI survey chatbots improve convenience, most are still reactive: they rely on fixed dialogue trees or static prompt templates and therefore cannot adapt within a session to fit individual users, which leads to generic follow-ups and weak response quality. We address these limitations with AURA (Adaptive Understanding through Reinforcement Learning for Assessment), a reinforcement learning framework for AI-driven adaptive conversational surveys. AURA quantifies response quality using a four-dimensional LSDE metric (Length, Self-disclosure, Emotion, and Specificity) and selects follow-up question types via an epsilon-greedy policy that updates the expected quality gain within each session. Initialized with priors extracted from 96 prior campus-climate conversations (467 total chatbot-user exchanges), the system balances exploration and exploitation across 10-15 dialogue exchanges, dynamically adapting to individual participants in real time. In controlled evaluations, AURA achieved a +0.12 mean gain in response quality and a statistically significant improvement over non-adaptive baselines (p=0.044, d=0.66), driven by a 63% reduction in specification prompts and a 10x increase in validation behavior. These results demonstrate that reinforcement learning can give survey chatbots improved adaptivity, transforming static questionnaires into interactive, self-improving assessment systems.
Authors: Emilio Mastriani, Alessandro Costa, Federico Incardona, Kevin Munari, Sebastiano Spinello
Abstract: Objective: ServiMon is designed to offer a scalable and intelligent pipeline for data collection and auditing to monitor distributed astronomical systems such as the ASTRI Mini-Array. The system enhances quality control, predictive maintenance, and real-time anomaly detection for telescope operations. Methods: ServiMon integrates cloud-native technologies-including Prometheus, Grafana, Cassandra, Kafka, and InfluxDB-for telemetry collection and processing. It employs machine learning algorithms, notably Isolation Forest, to detect anomalies in Cassandra performance metrics. Key indicators such as read/write latency, throughput, and memory usage are continuously monitored, stored as time-series data, and preprocessed for feature engineering. Anomalies detected by the model are logged in InfluxDB v2 and accessed via Flux for real-time monitoring and visualization. Results: AI-based anomaly detection increases system resilience by identifying performance degradation at an early stage, minimizing downtime, and optimizing telescope operations. Additionally, ServiMon supports astrostatistical analysis by correlating telemetry with observational data, thus enhancing scientific data quality. AI-generated alerts also improve real-time monitoring, enabling proactive system management. Conclusion: ServiMon's scalable framework proves effective for predictive maintenance and real-time monitoring of astronomical infrastructures. By leveraging cloud and edge computing, it is adaptable to future large-scale experiments, optimizing both performance and cost. The combination of machine learning and big data analytics makes ServiMon a robust and flexible solution for modern and next-generation observational astronomy.
Authors: Jiaxin Yuan, Haizhao Yang, Maria Cameron
Abstract: Fast and accurate simulation of dynamical systems is a fundamental challenge across scientific and engineering domains. Traditional numerical integrators often face a trade-off between accuracy and computational efficiency, while existing neural network-based approaches typically require training a separate model for each case. To overcome these limitations, we introduce a novel multi-modal foundation model for large-scale simulations of differential equations: FMint-SDE (Foundation Model based on Initialization for stochastic differential equations). Based on a decoder-only transformer with in-context learning, FMint-SDE leverages numerical and textual modalities to learn a universal error-correction scheme. It is trained using prompted sequences of coarse solutions generated by conventional solvers, enabling broad generalization across diverse systems. We evaluate our models on a suite of challenging SDE benchmarks spanning applications in molecular dynamics, mechanical systems, finance, and biology. Experimental results show that our approach achieves a superior accuracy-efficiency tradeoff compared to classical solvers, underscoring the potential of FMint-SDE as a general-purpose simulation tool for dynamical systems.
Authors: Zixuan Hu, Yongxian Wei, Li Shen, Zhenyi Wang, Lei Li, Chun Yuan, Dacheng Tao
Abstract: Model inversion, which aims to reconstruct the original training data from pre-trained discriminative models, is especially useful when the original training data is unavailable due to privacy, usage rights, or size constraints. However, existing dense inversion methods attempt to reconstruct the entire image area, making them extremely inefficient when inverting high-resolution images from large-scale Vision Transformers (ViTs). We further identify two underlying causes of this inefficiency: the redundant inversion of noisy backgrounds and the unintended inversion of spurious correlations--a phenomenon we term "hallucination" in model inversion. To address these limitations, we propose a novel sparse model inversion strategy, as a plug-and-play extension to speed up existing dense inversion methods with no need for modifying their original loss functions. Specifically, we selectively invert semantic foregrounds while stopping the inversion of noisy backgrounds and potential spurious correlations. Through both theoretical and empirical studies, we validate the efficacy of our approach in achieving significant inversion acceleration (up to 3.79 faster) while maintaining comparable or even enhanced downstream performance in data-free model quantization and data-free knowledge transfer. Code is available at https://github.com/Egg-Hu/SMI.
Authors: Ren Tasai, Guang Li, Ren Togo, Takahiro Ogawa, Kenji Hirata, Minghui Tang, Takaaki Yoshimura, Hiroyuki Sugimori, Noriko Nishioka, Yukie Shimizu, Kohsuke Kudo, Miki Haseyama
Abstract: We propose a novel continual self-supervised learning (CSSL) framework for simultaneously learning diverse features from multi-window-obtained chest computed tomography (CT) images and ensuring data privacy. Achieving a robust and highly generalizable model in medical image diagnosis is challenging, mainly because of issues, such as the scarcity of large-scale, accurately annotated datasets and domain shifts inherent to dynamic healthcare environments. Specifically, in chest CT, these domain shifts often arise from differences in window settings, which are optimized for distinct clinical purposes. Previous CSSL frameworks often mitigated domain shift by reusing past data, a typically impractical approach owing to privacy constraints. Our approach addresses these challenges by effectively capturing the relationship between previously learned knowledge and new information across different training stages through continual pretraining on unlabeled images. Specifically, by incorporating a latent replay-based mechanism into CSSL, our method mitigates catastrophic forgetting due to domain shifts during continual pretraining while ensuring data privacy. Additionally, we introduce a feature distillation technique that integrates Wasserstein distance-based knowledge distillation (WKD) and batch-knowledge ensemble (BKE), enhancing the ability of the model to learn meaningful, domain-shift-robust representations. Finally, we validate our approach using chest CT images obtained across two different window settings, demonstrating superior performance compared with other approaches.
Authors: Rajan Agarwal, Aarush Gupta
Abstract: Instruction-tuned Large Language Models (LLMs) underperform on low resource, non-Latin scripts due to tokenizer fragmentation and weak cross-lingual coupling. We present LLINK (Latent Language Injection for Non-English Knowledge), a compute efficient language-as-modality method that conditions an instruction-tuned decoder without changing the tokenizer or retraining the decoder. First, we align sentence embeddings from a frozen multilingual encoder to the decoder's latent embedding space at a reserved position via a lightweight contrastive projector. Second, the vector is expanded into K soft slots and trained with minimal adapters so the frozen decoder consumes the signal. LLINK substantially improves bilingual retrieval and achieves 81.3% preference over the base model and 63.6% over direct fine-tuning in LLM-judged Q&A evaluations. We further find that improvements can be attributed to reduced tokenization inflation and a stronger cross lingual alignment, despite the model having residual weaknesses in numeric fidelity. Treating low resource languages as a modality offers a practical path to stronger cross-lingual alignment in lightweight LLMs.
Authors: Raza Imam, Hu Wang, Dwarikanath Mahapatra, Mohammad Yaqub
Abstract: In medical imaging, vision-language models face a critical duality: pretrained networks offer broad robustness but lack subtle, modality-specific characteristics, while fine-tuned expert models achieve high in-distribution accuracy yet falter under modality shift. Existing model-merging techniques, designed for natural-image benchmarks, are simple and efficient but fail to deliver consistent gains across diverse medical modalities; their static interpolation limits reliability in varied clinical tasks. To address this, we introduce Test-Time Task adaptive merging (T^3), a backpropagation-free framework that computes per-sample interpolation coefficients via the Jensen-Shannon divergence between the two models' output distributions. T^3 dynamically preserves local precision when models agree and defers to generalist robustness under drift. To overcome the inference costs of sample-wise merging, we further propose a batch-wise extension, T^3_B, that computes a merging coefficient across a batch of samples, dramatically reducing computational bottleneck. Recognizing the lack of a standardized medical-merging benchmark, we present a rigorous cross-evaluation protocol spanning in-domain, base-to-novel, and corruptions across four modalities. Empirically, T^3 sets new state-of-the-art in Top-1 accuracy and error reduction, outperforming strong baselines while maintaining efficiency, paving the way for adaptive MVLM deployment in clinical settings. Our code is available at https://github.com/Razaimam45/TCube.
Authors: Deokhyung Kang, Seonjeong Hwang, Daehui Kim, Hyounghun Kim, Gary Geunbae Lee
Abstract: Reasoning language models (RLMs) achieve strong performance on complex reasoning tasks, yet they still suffer from a multilingual reasoning gap, performing better in high-resource languages than in low-resource ones. While recent efforts have reduced this gap, its underlying causes remain largely unexplored. In this paper, we address this by showing that the multilingual reasoning gap largely stems from failures in language understanding-the model's inability to represent the multilingual input meaning into the dominant language (i.e., English) within its reasoning trace. This motivates us to examine whether understanding failures can be detected, as this ability could help mitigate the multilingual reasoning gap. To this end, we evaluate a range of detection methods and find that understanding failures can indeed be identified, with supervised approaches performing best. Building on this, we propose Selective Translation, a simple yet effective strategy that translates the multilingual input into English only when an understanding failure is detected. Experimental results show that Selective Translation bridges the multilingual reasoning gap, achieving near full-translation performance while using translation for only about 20% of inputs. Together, our work demonstrates that understanding failures are the primary cause of the multilingual reasoning gap and can be detected and selectively mitigated, providing key insight into its origin and a promising path toward more equitable multilingual reasoning. Our code and data are publicly available at https://github.com/deokhk/RLM_analysis.
Authors: Yu Lin, Zhen Jia, Philipp Christmann, Xu Zhang, Shengdong Du, Tianrui Li
Abstract: Drug recommendation (DR) systems aim to support healthcare professionals in selecting appropriate medications based on patients' medical conditions. State-of-the-art approaches utilize deep learning techniques for improving DR, but fall short in providing any insights on the derivation process of recommendations -- a critical limitation in such high-stake applications. We propose TraceDR, a novel DR system operating over a medical knowledge graph (MKG), which ensures access to large-scale and high-quality information. TraceDR simultaneously predicts drug recommendations and related evidence within a multi-task learning framework, enabling traceability of medication recommendations. For covering a more diverse set of diseases and drugs than existing works, we devise a framework for automatically constructing patient health records and release DrugRec, a new large-scale testbed for DR.
Authors: Zirui Zhu, Hailun Xu, Yang Luo, Yong Liu, Kanchan Sarkar, Zhenheng Yang, Yang You
Abstract: Multimodal large language models (MLLMs) represent images and video frames as visual tokens. Scaling from single images to hour-long videos, however, inflates the token budget far beyond practical limits. Popular pipelines therefore either uniformly subsample or apply keyframe selection with retrieval-style scoring using smaller vision-language models. However, these keyframe selection methods still rely on pre-filtering before selection to reduce the inference cost and can miss the most informative moments. We propose FOCUS, Frame-Optimistic Confidence Upper-bound Selection, a training-free, model-agnostic keyframe selection module that selects query-relevant frames under a strict token budget. FOCUS formulates keyframe selection as a combinatorial pure-exploration (CPE) problem in multi-armed bandits: it treats short temporal clips as arms, and uses empirical means and Bernstein confidence radius to identify informative regions while preserving exploration of uncertain areas. The resulting two-stage exploration-exploitation procedure reduces from a sequential policy with theoretical guarantees, first identifying high-value temporal regions, then selecting top-scoring frames within each region On two long-video question-answering benchmarks, FOCUS delivers substantial accuracy improvements while processing less than 2% of video frames. For videos longer than 20 minutes, it achieves an 11.9% gain in accuracy on LongVideoBench, demonstrating its effectiveness as a keyframe selection method and providing a simple and general solution for scalable long-video understanding with MLLMs.
Authors: Ali Raza Jafree, Konark Jain, Nick Firoozye
Abstract: We investigate the mechanisms by which medium-frequency trading agents are adversely selected by opportunistic high-frequency traders. We use reinforcement learning (RL) within a Hawkes Limit Order Book (LOB) model in order to replicate the behaviours of high-frequency market makers. In contrast to the classical models with exogenous price impact assumptions, the Hawkes model accounts for endogenous price impact and other key properties of the market (Jain et al. 2024a). Given the real-world impracticalities of the market maker updating strategies for every event in the LOB, we formulate the high-frequency market making agent via an impulse control reinforcement learning framework (Jain et al. 2025). The RL used in the simulation utilises Proximal Policy Optimisation (PPO) and self-imitation learning. To replicate the adverse selection phenomenon, we test the RL agent trading against a medium frequency trader (MFT) executing a meta-order and demonstrate that, with training against the MFT meta-order execution agent, the RL market making agent learns to capitalise on the price drift induced by the meta-order. Recent empirical studies have shown that medium-frequency traders are increasingly subject to adverse selection by high-frequency trading agents. As high-frequency trading continues to proliferate across financial markets, the slippage costs incurred by medium-frequency traders are likely to increase over time. However, we do not observe that increased profits for the market making RL agent necessarily cause significantly increased slippages for the MFT agent.
Authors: Alireza Gharahighehi, Felipe Kenji Nakano, Xuehua Yang, Wenhan Cu, Celine Vens
Abstract: Recommender systems (RSs) are intelligent filtering methods that suggest items to users based on their inferred preferences, derived from their interaction history on the platform. Collaborative filtering-based RSs rely on users past interactions to generate recommendations. However, when a user is new to the platform, referred to as a cold-start user, there is no historical data available, making it difficult to provide personalized recommendations. To address this, rating elicitation techniques can be used to gather initial ratings or preferences on selected items, helping to build an early understanding of the user's tastes. Rating elicitation approaches are generally categorized into two types: non-personalized and personalized. Decision tree-based rating elicitation is a personalized method that queries users about their preferences at each node of the tree until sufficient information is gathered. In this paper, we propose an extension to the decision tree approach for rating elicitation in the context of music recommendation. Our method: (i) elicits not only item ratings but also preferences on attributes such as genres to better cluster users, and (ii) uses item pairs instead of single items at each node to more effectively learn user preferences. Experimental results demonstrate that both proposed enhancements lead to improved performance, particularly with a reduced number of queries.
Authors: Kenneth Yang, Wen-Li Wei, Jen-Chun Lin
Abstract: Parameter-Efficient Fine-Tuning (PEFT) has emerged as a key strategy for adapting large-scale pre-trained models to downstream tasks, but existing approaches face notable limitations. Addition-based methods, such as Adapters [1], introduce inference latency and engineering complexity, while selection-based methods like Gradient-based Parameter Selection (GPS) [2] require a full backward pass, which results in the same peak memory usage as full fine-tuning. To address this dilemma, we propose Feedforward-based Parameter Selection (FPS), a gradient-free method that identifies an optimal parameter subset in a single forward pass. FPS ranks parameters by the product of their magnitudes and corresponding input activations, leveraging both pre-trained knowledge and downstream data. Evaluated on $24$ visual tasks from FGVC and VTAB-1k, FPS achieves performance comparable to state-of-the-art methods while reducing peak memory usage by nearly $9 \times$ and accelerating parameter selection by about $2 \times$, offering a genuinely memory-efficient and practical solution for fine-tuning large-scale pre-trained models.
Authors: Nikita Kornilov, Alexander Korotin
Abstract: Flow Matching (FM) method in generative modeling maps arbitrary probability distributions by constructing an interpolation between them and then learning the vector field that defines ODE for this interpolation. Recently, it was shown that FM can be modified to map distributions optimally in terms of the quadratic cost function for any initial interpolation. To achieve this, only specific optimal vector fields, which are typical for solutions of Optimal Transport (OT) problems, need to be considered during FM loss minimization. In this note, we show that considering only optimal vector fields can lead to OT in another approach: Action Matching (AM). Unlike FM, which learns a vector field for a manually chosen interpolation between given distributions, AM learns the vector field that defines ODE for an entire given sequence of distributions.
Authors: Wu Wei, Xiaomeng Fan, Yuwei Wu, Zhi Gao, Pengxiang Li, Yunde Jia, Mehrtash Harandi
Abstract: Modality alignment is critical for vision-language models (VLMs) to effectively integrate information across modalities. However, existing methods extract hierarchical features from text while representing each image with a single feature, leading to asymmetric and suboptimal alignment. To address this, we propose Alignment across Trees, a method that constructs and aligns tree-like hierarchical features for both image and text modalities. Specifically, we introduce a semantic-aware visual feature extraction framework that applies a cross-attention mechanism to visual class tokens from intermediate Transformer layers, guided by textual cues to extract visual features with coarse-to-fine semantics. We then embed the feature trees of the two modalities into hyperbolic manifolds with distinct curvatures to effectively model their hierarchical structures. To align across the heterogeneous hyperbolic manifolds with different curvatures, we formulate a KL distance measure between distributions on heterogeneous manifolds, and learn an intermediate manifold for manifold alignment by minimizing the distance. We prove the existence and uniqueness of the optimal intermediate manifold. Experiments on taxonomic open-set classification tasks across multiple image datasets demonstrate that our method consistently outperforms strong baselines under few-shot and cross-domain settings.
Authors: Joshua S. Harvey, Guanchao Feng, Sai Anusha Meesala, Tina Zhao, Dhagash Mehta
Abstract: Despite their enormous predictive power, machine learning models are often unsuitable for applications in regulated industries such as finance, due to their limited capacity to provide explanations. While model-agnostic frameworks such as Shapley values have proved to be convenient and popular, they rarely align with the kinds of causal explanations that are typically sought after. Counterfactual case-based explanations, where an individual is informed of which circumstances would need to be different to cause a change in outcome, may be more intuitive and actionable. However, finding appropriate counterfactual cases is an open challenge, as is interpreting which features are most critical for the change in outcome. Here, we pose the question of counterfactual search and interpretation in terms of similarity learning, exploiting the representation learned by the random forest predictive model itself. Once a counterfactual is found, the feature importance of the explanation is computed as a function of which random forest partitions are crossed in order to reach it from the original instance. We demonstrate this method on both the MNIST hand-drawn digit dataset and the German credit dataset, finding that it generates explanations that are sparser and more useful than Shapley values.
Authors: Nelson Matti\'e, Arturo Sanchez-Azofeifa, Pablo Crespo-Peremarch, Juan-Ygnacio L\'opez-Hern\'andez
Abstract: According to the Paris Climate Change Agreement, all nations are required to submit reports on their greenhouse gas emissions and absorption every two years by 2024. Consequently, forests play a crucial role in reducing carbon emissions, which is essential for meeting these obligations. Recognizing the significance of forest conservation in the global battle against climate change, Article 5 of the Paris Agreement emphasizes the need for high-quality forest data. This study focuses on enhancing methods for mapping aboveground biomass in tropical dry forests. Tropical dry forests are considered one of the least understood tropical forest environments; therefore, there is a need for accurate approaches to estimate carbon pools. We employ a comparative analysis of AGB estimates, utilizing different discrete and full-waveform laser scanning datasets in conjunction with Ordinary Least Squares and Bayesian approaches SVM. Airborne Laser Scanning, Unmanned Laser Scanning, and Space Laser Scanning were used as independent variables for extracting forest metrics. Variable selection, SVM regression tuning, and cross-validation via a machine-learning approach were applied to account for overfitting and underfitting. The results indicate that six key variables primarily related to tree height: Elev.minimum, Elev.L3, lev.MAD.mode, Elev.mode, Elev.MAD.median, and Elev.skewness, are important for AGB estimation using ALSD and ULSD , while Leaf Area Index, canopy coverage and height, terrain elevation, and full-waveform signal energy emerged as the most vital variables. AGB values estimated from ten permanent tropical dry forest plots in Costa Rica Guanacaste province ranged from 26.02 Mg/ha to 175.43 Mg/ha . The SVM regressions demonstrated a 17.89 error across all laser scanning systems, with SLSF W exhibiting the lowest error 17.07 in estimating total biomass per plot.
Authors: Binh Thuan Tran, Nicolas Schreuder
Abstract: We study the problem of nonparametric two-sample testing using the sliced Wasserstein (SW) distance. While prior theoretical and empirical work indicates that the SW distance offers a promising balance between strong statistical guarantees and computational efficiency, its theoretical foundations for hypothesis testing remain limited. We address this gap by proposing a permutation-based SW test and analyzing its performance. The test inherits finite-sample Type I error control from the permutation principle. Moreover, we establish non-asymptotic power bounds and show that the procedure achieves the minimax separation rate $n^{-1/2}$ over multinomial and bounded-support alternatives, matching the optimal guarantees of kernel-based tests while building on the geometric foundations of Wasserstein distances. Our analysis further quantifies the trade-off between the number of projections and statistical power. Finally, numerical experiments demonstrate that the test combines finite-sample validity with competitive power and scalability, and -- unlike kernel-based tests, which require careful kernel tuning -- it performs consistently well across all scenarios we consider.
Authors: Anubhab Ghosh, Yonina C. Eldar, Saikat Chatterjee
Abstract: We consider the problem of designing a data-driven nonlinear state estimation (DANSE) method that uses (noisy) nonlinear measurements of a process whose underlying state transition model (STM) is unknown. Such a process is referred to as a model-free process. A recurrent neural network (RNN) provides parameters of a Gaussian prior that characterize the state of the model-free process, using all previous measurements at a given time point. In the case of DANSE, the measurement system was linear, leading to a closed-form solution for the state posterior. However, the presence of a nonlinear measurement system renders a closed-form solution infeasible. Instead, the second-order statistics of the state posterior are computed using the nonlinear measurements observed at the time point. We address the nonlinear measurements using a reparameterization trick-based particle sampling approach, and estimate the second-order statistics of the state posterior. The proposed method is referred to as particle-based DANSE (pDANSE). The RNN of pDANSE uses sequential measurements efficiently and avoids the use of computationally intensive sequential Monte-Carlo (SMC) and/or ancestral sampling. We describe the semi-supervised learning method for pDANSE, which transitions to unsupervised learning in the absence of labeled data. Using a stochastic Lorenz-$63$ system as a benchmark process, we experimentally demonstrate the state estimation performance for four nonlinear measurement systems. We explore cubic nonlinearity and a camera-model nonlinearity where unsupervised learning is used; then we explore half-wave rectification nonlinearity and Cartesian-to-spherical nonlinearity where semi-supervised learning is used. The performance of state estimation is shown to be competitive vis-\`a-vis particle filters that have complete knowledge of the STM of the Lorenz-$63$ system.
Authors: Ke He, Thang X. Vu, Le He, Lisheng Fan, Symeon Chatzinotas, Bjorn Ottersten
Abstract: The rise of ultra-dense LEO constellations creates a complex and asynchronous network environment, driven by their massive scale, dynamic topologies, and significant delays. This unique complexity demands an adaptive packet routing algorithm that is asynchronous, risk-aware, and capable of balancing diverse and often conflicting QoS objectives in a decentralized manner. However, existing methods fail to address this need, as they typically rely on impractical synchronous decision-making and/or risk-oblivious approaches. To tackle this gap, we introduce PRIMAL, an event-driven multi-agent routing framework designed specifically to allow each satellite to act independently on its own event-driven timeline, while managing the risk of worst-case performance degradation via a principled primal-dual approach. This is achieved by enabling agents to learn the full cost distribution of the targeted QoS objectives and constrain tail-end risks. Extensive simulations on a LEO constellation with 1584 satellites validate its superiority in effectively optimizing latency and balancing load. Compared to a recent risk-oblivious baseline, it reduces queuing delay by over 70%, and achieves a nearly 12 ms end-to-end delay reduction in loaded scenarios. This is accomplished by resolving the core conflict between naive shortest-path finding and congestion avoidance, highlighting such autonomous risk-awareness as a key to robust routing.
Authors: Desta Haileselassie Hagos, Legand L. Burge, Anietie Andy, Anis Yazidi, Vladimir Vlassov
Abstract: Transformer-based architectures have advanced text summarization, yet their quadratic complexity limits scalability on long documents. This paper introduces BiSparse-AAS (Bilinear Sparse Attention with Adaptive Spans), a novel framework that combines sparse attention, adaptive spans, and bilinear attention to address these limitations. Sparse attention reduces computational costs by focusing on the most relevant parts of the input, while adaptive spans dynamically adjust the attention ranges. Bilinear attention complements both by modeling complex token interactions within this refined context. BiSparse-AAS consistently outperforms state-of-the-art baselines in both extractive and abstractive summarization tasks, achieving average ROUGE improvements of about 68.1% on CNN/DailyMail and 52.6% on XSum, while maintaining strong performance on OpenWebText and Gigaword datasets. By addressing efficiency, scalability, and long-sequence modeling, BiSparse-AAS provides a unified, practical solution for real-world text summarization applications.
Authors: A. V. Bomediano, R. J. Conanan, L. D. Santuyo, A. Coronel
Abstract: Understanding the structural and cognitive underpinnings of musical compositions remains a key challenge in music theory and computational musicology. While traditional methods focus on harmony and rhythm, cognitive models such as the Implication-Realization (I-R) model and Temporal Gestalt theory offer insight into how listeners perceive and anticipate musical structure. This study presents a graph-based computational approach that operationalizes these models by segmenting melodies into perceptual units and annotating them with I-R patterns. These segments are compared using Dynamic Time Warping and organized into k-nearest neighbors graphs to model intra- and inter-segment relationships. Each segment is represented as a node in the graph, and nodes are further labeled with melodic expectancy values derived from Schellenberg's two-factor I-R model-quantifying pitch proximity and pitch reversal at the segment level. This labeling enables the graphs to encode both structural and cognitive information, reflecting how listeners experience musical tension and resolution. To evaluate the expressiveness of these graphs, we apply the Weisfeiler-Lehman graph kernel to measure similarity between and within compositions. Results reveal statistically significant distinctions between intra- and inter-graph structures. Segment-level analysis via multidimensional scaling confirms that structural similarity at the graph level reflects perceptual similarity at the segment level. Graph2vec embeddings and clustering demonstrate that these representations capture stylistic and structural features that extend beyond composer identity. These findings highlight the potential of graph-based methods as a structured, cognitively informed framework for computational music analysis, enabling a more nuanced understanding of musical structure and style through the lens of listener perception.
Authors: Sushil Samuel Dinesh, Shinkyu Park
Abstract: This paper presents a framework that leverages pre-trained foundation models for robotic manipulation without domain-specific training. The framework integrates off-the-shelf models, combining multimodal perception from foundation models with a general-purpose reasoning model capable of robust task sequencing. Scene graphs, dynamically maintained within the framework, provide spatial awareness and enable consistent reasoning about the environment. The framework is evaluated through a series of tabletop robotic manipulation experiments, and the results highlight its potential for building robotic manipulation systems directly on top of off-the-shelf foundation models.
Authors: Yuchen Jiao, Yuchen Zhou, Gen Li
Abstract: Score-based diffusion models have achieved remarkable empirical success in generating high-quality samples from target data distributions. Among them, the Denoising Diffusion Probabilistic Model (DDPM) is one of the most widely used samplers, generating samples via estimated score functions. Despite its empirical success, a tight theoretical understanding of DDPM -- especially its convergence properties -- remains limited. In this paper, we provide a refined convergence analysis of the DDPM sampler and establish near-optimal convergence rates under general distributional assumptions. Specifically, we introduce a relaxed smoothness condition parameterized by a constant $L$, which is small for many practical distributions (e.g., Gaussian mixture models). We prove that the DDPM sampler with accurate score estimates achieves a convergence rate of $$\widetilde{O}\left(\frac{d\min\{d,L^2\}}{T^2}\right)~\text{in Kullback-Leibler divergence},$$ where $d$ is the data dimension, $T$ is the number of iterations, and $\widetilde{O}$ hides polylogarithmic factors in $T$. This result substantially improves upon the best-known $d^2/T^2$ rate when $L < \sqrt{d}$. By establishing a matching lower bound, we show that our convergence analysis is tight for a wide array of target distributions. Moreover, it reveals that DDPM and DDIM share the same dependence on $d$, raising an interesting question of why DDIM often appears empirically faster.
Authors: Zhuoning Guo, Mingxin Li, Yanzhao Zhang, Dingkun Long, Pengjun Xie, Xiaowen Chu
Abstract: The prevailing video retrieval paradigm is structurally misaligned, as narrow benchmarks incentivize correspondingly limited data and single-task training. Therefore, universal capability is suppressed due to the absence of a diagnostic evaluation that defines and demands multi-dimensional generalization. To break this cycle, we introduce a framework built on the co-design of evaluation, data, and modeling. First, we establish the Universal Video Retrieval Benchmark (UVRB), a suite of 16 datasets designed not only to measure performance but also to diagnose critical capability gaps across tasks and domains. Second, guided by UVRB's diagnostics, we introduce a scalable synthesis workflow that generates 1.55 million high-quality pairs to populate the semantic space required for universality. Finally, we devise the Modality Pyramid, a curriculum that trains our General Video Embedder (GVE) by explicitly leveraging the latent interconnections within our diverse data. Extensive experiments show GVE achieves state-of-the-art zero-shot generalization on UVRB. In particular, our analysis reveals that popular benchmarks are poor predictors of general ability and that partially relevant retrieval is a dominant but overlooked scenario. Overall, our co-designed framework provides a practical path to escape the limited scope and advance toward truly universal video retrieval.
Authors: Ilyass Moummad, Kawtar Zaher, Herv\'e Go\"eau, Alexis Joly
Abstract: Efficient large-scale retrieval requires representations that are both compact and discriminative. Foundation models provide powerful visual and multimodal embeddings, but nearest neighbor search in these high-dimensional spaces is computationally expensive. Hashing offers an efficient alternative by enabling fast Hamming distance search with binary codes, yet existing approaches often rely on complex pipelines, multi-term objectives, designs specialized for a single learning paradigm, and long training times. We introduce CroVCA (Cross-View Code Alignment), a simple and unified principle for learning binary codes that remain consistent across semantically aligned views. A single binary cross-entropy loss enforces alignment, while coding-rate maximization serves as an anti-collapse regularizer to promote balanced and diverse codes. To implement this, we design HashCoder, a lightweight MLP hashing network with a final batch normalization layer to enforce balanced codes. HashCoder can be used as a probing head on frozen embeddings or to adapt encoders efficiently via LoRA fine-tuning. Across benchmarks, CroVCA achieves state-of-the-art results in just 5 training epochs. At 16 bits, it particularly well-for instance, unsupervised hashing on COCO completes in under 2 minutes and supervised hashing on ImageNet100 in about 3 minutes on a single GPU. These results highlight CroVCA's efficiency, adaptability, and broad applicability.
Authors: Stefan Hermann, Hans-Peter Lehmann, Giorgio Vinciguerra, Stefan Walzer
Abstract: We consider the task of constructing a data structure for associating a static set of keys with values, while allowing arbitrary output values for queries involving keys outside the set. Compared to hash tables, these so-called static function data structures do not need to store the key set and thus use significantly less memory. Several techniques are known, with compressed static functions approaching the zero-order empirical entropy of the value sequence. In this paper, we introduce learned static functions, which use machine learning to capture correlations between keys and values. For each key, a model predicts a probability distribution over the values, from which we derive a key-specific prefix code to compactly encode the true value. The resulting codeword is stored in a classic static function data structure. This design allows learned static functions to break the zero-order entropy barrier while still supporting point queries. Our experiments show substantial space savings: up to one order of magnitude on real data, and up to three orders of magnitude on synthetic data.
Authors: Luz-Viviana Cobaleda, Juli\'an Carvajal, Paola Vallejo, Andr\'es L\'opez, Ra\'ul Mazo
Abstract: Modern software systems increasingly integrate machine learning (ML) due to its advancements and ability to enhance data-driven decision-making. However, this integration introduces significant challenges for software engineering, especially in software product lines (SPLs), where managing variability and reuse becomes more complex with the inclusion of ML components. Although existing approaches have addressed variability management in SPLs and the integration of ML components in isolated systems, few have explored the intersection of both domains. Specifically, there is limited support for modeling and managing variability in SPLs that incorporate ML components. To bridge this gap, this article proposes a structured framework designed to extend Software Product Line engineering, facilitating the integration of ML components. It facilitates the design of SPLs with ML capabilities by enabling systematic modeling of variability and reuse. The proposal has been partially implemented with the VariaMos tool.
Authors: Harsh Shah
Abstract: Large Language Models (LLMs) face significant computational bottlenecks during inference due to the quadratic complexity of self-attention mechanisms, particularly as context lengths increase. We introduce SpecAttn, a novel training-free approach that seamlessly integrates with existing speculative decoding techniques to enable efficient sparse attention in pre-trained transformers. Our key insight is to exploit the attention weights already computed by the draft model during speculative decoding to identify important tokens for the target model, eliminating redundant computation while maintaining output quality. SpecAttn employs three core techniques: KL divergence-based layer alignment between draft and target models, a GPU-optimized sorting-free algorithm for top-p token selection from draft attention patterns, and dynamic key-value cache pruning guided by these predictions. By leveraging the computational work already performed in standard speculative decoding pipelines, SpecAttn achieves over 75% reduction in key-value cache accesses with a mere 15.29% increase in perplexity on the PG-19 dataset, significantly outperforming existing sparse attention methods. Our approach demonstrates that speculative execution can be enhanced to provide approximate verification without significant performance degradation.
Authors: Wenwen Li, Daniel Sanz-Alonso, Ruiyi Yang
Abstract: This paper studies optimization on networks modeled as metric graphs. Motivated by applications where the objective function is expensive to evaluate or only available as a black box, we develop Bayesian optimization algorithms that sequentially update a Gaussian process surrogate model of the objective to guide the acquisition of query points. To ensure that the surrogates are tailored to the network's geometry, we adopt Whittle-Mat\'ern Gaussian process prior models defined via stochastic partial differential equations on metric graphs. In addition to establishing regret bounds for optimizing sufficiently smooth objective functions, we analyze the practical case in which the smoothness of the objective is unknown and the Whittle-Mat\'ern prior is represented using finite elements. Numerical results demonstrate the effectiveness of our algorithms for optimizing benchmark objective functions on a synthetic metric graph and for Bayesian inversion via maximum a posteriori estimation on a telecommunication network.
Authors: Tom Sprunck, Marcelo Pereyra, Tobias Liaudat
Abstract: Modern imaging techniques heavily rely on Bayesian statistical models to address difficult image reconstruction and restoration tasks. This paper addresses the objective evaluation of such models in settings where ground truth is unavailable, with a focus on model selection and misspecification diagnosis. Existing unsupervised model evaluation methods are often unsuitable for computational imaging due to their high computational cost and incompatibility with modern image priors defined implicitly via machine learning models. We herein propose a general methodology for unsupervised model selection and misspecification detection in Bayesian imaging sciences, based on a novel combination of Bayesian cross-validation and data fission, a randomized measurement splitting technique. The approach is compatible with any Bayesian imaging sampler, including diffusion and plug-and-play samplers. We demonstrate the methodology through experiments involving various scoring rules and types of model misspecification, where we achieve excellent selection and detection accuracy with a low computational cost.
Authors: Wei Zhang, Zekun Guo, Yingce Xia, Peiran Jin, Shufang Xie, Tao Qin, Xiang-Yang Li
Abstract: Structure-based drug design (SBDD), which maps target proteins to candidate molecular ligands, is a fundamental task in drug discovery. Effectively aligning protein structural representations with molecular representations, and ensuring alignment between generated drugs and their pharmacological properties, remains a critical challenge. To address these challenges, we propose MolChord, which integrates two key techniques: (1) to align protein and molecule structures with their textual descriptions and sequential representations (e.g., FASTA for proteins and SMILES for molecules), we leverage NatureLM, an autoregressive model unifying text, small molecules, and proteins, as the molecule generator, alongside a diffusion-based structure encoder; and (2) to guide molecules toward desired properties, we curate a property-aware dataset by integrating preference data and refine the alignment process using Direct Preference Optimization (DPO). Experimental results on CrossDocked2020 demonstrate that our approach achieves state-of-the-art performance on key evaluation metrics, highlighting its potential as a practical tool for SBDD.
Authors: Md Abdul Hannan, Ronghao Ni, Chi Zhang, Limin Jia, Ravi Mangal, Corina S. Pasareanu
Abstract: Large language models (LLMs) have demonstrated impressive capabilities for many coding tasks, including summarization, translation, completion, and code generation. However, detecting code vulnerabilities remains a challenging task for LLMs. An effective way to improve LLM performance is in-context learning (ICL) - providing few-shot examples similar to the query, along with correct answers, can improve an LLM's ability to generate correct solutions. However, choosing the few-shot examples appropriately is crucial to improving model performance. In this paper, we explore two criteria for choosing few-shot examples for ICL used in the code vulnerability detection task. The first criterion considers if the LLM (consistently) makes a mistake or not on a sample with the intuition that LLM performance on a sample is informative about its usefulness as a few-shot example. The other criterion considers similarity of the examples with the program under query and chooses few-shot examples based on the $k$-nearest neighbors to the given sample. We perform evaluations to determine the benefits of these criteria individually as well as under various combinations, using open-source models on multiple datasets.
Authors: Joyoni Dey, Hunter C. Meyer, Murtuza S. Taqi
Abstract: Low-dose computed tomography (LDCT) is the current standard for lung cancer screening, yet its adoption and accessibility remain limited. Many regions lack LDCT infrastructure, and even among those screened, early-stage cancer detection often yield false positives, as shown in the National Lung Screening Trial (NLST) with a sensitivity of 93.8 percent and a false-positive rate of 26.6 percent. We aim to investigate whether X-ray dark-field imaging (DFI) radiograph, a technique sensitive to small-angle scatter from alveolar microstructure and less susceptible to organ shadowing, can significantly improve early-stage lung tumor detection when coupled with deep-learning segmentation. Using paired attenuation (ATTN) and DFI radiograph images of euthanized mouse lungs, we generated realistic synthetic tumors with irregular boundaries and intensity profiles consistent with physical lung contrast. A U-Net segmentation network was trained on small patches using either ATTN, DFI, or a combination of ATTN and DFI channels.Results show that the DFI-only model achieved a true-positive detection rate of 83.7 percent, compared with 51 percent for ATTN-only, while maintaining comparable specificity (90.5 versus 92.9 percent). The combined ATTN and DFI input achieved 79.6 percent sensitivity and 97.6 percent specificity. In conclusion, DFI substantially improves early-tumor detectability in comparison to standard attenuation radiography and shows potential as an accessible, low-cost, low-dose alternative for pre-clinical or limited-resource screening where LDCT is unavailable.
Authors: Danyal Maqbool, Changhee Lee, Zachary Huemann, Samuel D. Church, Matthew E. Larson, Scott B. Perlman, Tomas A. Romero, Joshua D. Warner, Meghan Lubner, Xin Tie, Jameson Merkow, Junjie Hu, Steve Y. Cho, Tyler J. Bradshaw
Abstract: Recent advances in vision-language models (VLMs) have enabled impressive multimodal reasoning, yet most medical applications remain limited to 2D imaging. In this work, we extend VLMs to 3D positron emission tomography and computed tomography (PET/CT), a domain characterized by large volumetric data, small and dispersed lesions, and lengthy radiology reports. We introduce a large-scale dataset comprising over 11,000 lesion-level descriptions paired with 3D segmentations from more than 5,000 PET/CT exams, extracted via a hybrid rule-based and large language model (LLM) pipeline. Building upon this dataset, we propose PETAR-4B, a 3D mask-aware vision-language model that integrates PET, CT, and lesion contours for spatially grounded report generation. PETAR bridges global contextual reasoning with fine-grained lesion awareness, producing clinically coherent and localized findings. Comprehensive automated and human evaluations demonstrate that PETAR substantially improves PET/CT report generation quality, advancing 3D medical vision-language understanding.
Authors: Chenze Shao, Darren Li, Fandong Meng, Jie Zhou
Abstract: The efficiency of large language models (LLMs) is fundamentally limited by their sequential, token-by-token generation process. We argue that overcoming this bottleneck requires a new design axis for LLM scaling: increasing the semantic bandwidth of each generative step. To this end, we introduce Continuous Autoregressive Language Models (CALM), a paradigm shift from discrete next-token prediction to continuous next-vector prediction. CALM uses a high-fidelity autoencoder to compress a chunk of K tokens into a single continuous vector, from which the original tokens can be reconstructed with over 99.9\% accuracy. This allows us to model language as a sequence of continuous vectors instead of discrete tokens, which reduces the number of generative steps by a factor of K. The paradigm shift necessitates a new modeling toolkit; therefore, we develop a comprehensive likelihood-free framework that enables robust training, evaluation, and controllable sampling in the continuous domain. Experiments show that CALM significantly improves the performance-compute trade-off, achieving the performance of strong discrete baselines at a significantly lower computational cost. More importantly, these findings establish next-vector prediction as a powerful and scalable pathway towards ultra-efficient language models. Code: https://github.com/shaochenze/calm. Project: https://shaochenze.github.io/blog/2025/CALM.
URLs: https://github.com/shaochenze/calm., https://shaochenze.github.io/blog/2025/CALM.
Authors: Matin Ansaripour, Shayan Talaei, Giorgi Nadiradze, Dan Alistarh
Abstract: Distributed optimization is the standard way of speeding up machine learning training, and most of the research in the area focuses on distributed first-order, gradient-based methods. Yet, there are settings where some computationally-bounded nodes may not be able to implement first-order, gradient-based optimization, while they could still contribute to joint optimization tasks. In this paper, we initiate the study of hybrid decentralized optimization, studying settings where nodes with zeroth-order and first-order optimization capabilities co-exist in a distributed system, and attempt to jointly solve an optimization task over some data distribution. We essentially show that, under reasonable parameter settings, such a system can not only withstand noisier zeroth-order agents but can even benefit from integrating such agents into the optimization process, rather than ignoring their information. At the core of our approach is a new analysis of distributed optimization with noisy and possibly-biased gradient estimators, which may be of independent interest. Our results hold for both convex and non-convex objectives. Experimental results on standard optimization tasks confirm our analysis, showing that hybrid first-zeroth order optimization can be practical, even when training deep neural networks.
Authors: Sarah Sachs, Hedi Hadiji, Tim van Erven, Cristobal Guzman
Abstract: Stochastic and adversarial data are two widely studied settings in online learning. But many optimization tasks are neither i.i.d. nor fully adversarial, which makes it of fundamental interest to get a better theoretical understanding of the world between these extremes. In this work we establish novel regret bounds for online convex optimization in a setting that interpolates between stochastic i.i.d. and fully adversarial losses. By exploiting smoothness of the expected losses, these bounds replace a dependence on the maximum gradient length by the variance of the gradients, which was previously known only for linear losses. In addition, they weaken the i.i.d. assumption by allowing, for example, adversarially poisoned rounds, which were previously considered in the related expert and bandit settings. In the fully i.i.d. case, our regret bounds match the rates one would expect from results in stochastic acceleration, and we also recover the optimal stochastically accelerated rates via online-to-batch conversion. In the fully adversarial case our bounds gracefully deteriorate to match the minimax regret. We further provide lower bounds showing that our regret upper bounds are tight for all intermediate regimes in terms of the stochastic variance and the adversarial variation of the loss gradients.
Authors: Shuang Geng, Wenli Zhang, Jiaheng Xie, Gemin Liang, Ben Niu, Sudha Ram
Abstract: Online healthcare consultations have transformed how patients seek medical advice, offering convenience while introducing new challenges for ensuring consultation success. Predicting whether an online consultation will be successful is critical for improving patient experiences and sustaining platform competitiveness. Yet, such prediction is inherently difficult due to the fragmented nature of patients' care journeys and the lack of integration between virtual and traditional healthcare systems. Furthermore, the data collected from online platforms, including textual conversations, interaction sequences, and behavioral traces, are often sparse and incomplete. This study develops a predictive modeling approach that fuses multimodal data and dynamically constructed knowledge networks to capture latent relationships among patients, physicians, and consultation contexts. By integrating heterogeneous information sources and uncovering the evolving structure of digital interactions, the model enhances the accuracy and interpretability of consultation success prediction. The findings offer implications for designing hybrid healthcare ecosystems that combine online and offline services through data-driven intelligence.
Authors: Anji Liu, Kareem Ahmed, Guy Van den Broeck
Abstract: Probabilistic Circuits (PCs) are a general framework for tractable deep generative models, which support exact and efficient probabilistic inference on their learned distributions. Recent modeling and training advancements have enabled their application to complex real-world tasks. However, the time and memory inefficiency of existing PC implementations hinders further scaling up. This paper proposes PyJuice, a general GPU implementation design for PCs that improves prior art in several regards. Specifically, PyJuice is 1-2 orders of magnitude faster than existing systems (including very recent ones) at training large-scale PCs. Moreover, PyJuice consumes 2-5x less GPU memory, which enables us to train larger models. At the core of our system is a compilation process that converts a PC into a compact representation amenable to efficient block-based parallelization, which significantly reduces IO and makes it possible to leverage Tensor Cores available in modern GPUs. Empirically, PyJuice can be used to improve state-of-the-art PCs trained on image (e.g., ImageNet32) and language (e.g., WikiText, CommonGen) datasets. We further establish a new set of baselines on natural image and language datasets by benchmarking existing PC structures but with much larger sizes and more training epochs, with the hope of incentivizing future research. Code is available at https://github.com/Tractables/pyjuice.
Authors: Hoang Tran, Qinzi Zhang, Ashok Cutkosky
Abstract: There is a significant gap between our theoretical understanding of optimization algorithms used in deep learning and their practical performance. Theoretical development usually focuses on proving convergence guarantees under a variety of different assumptions, which are themselves often chosen based on a rough combination of intuitive match to practice and analytical convenience. In this paper, we carefully measure the degree to which the standard optimization analyses are capable of explaining modern algorithms. To do this, we develop new empirical metrics that compare real optimization behavior with analytically predicted behavior. Our investigation is notable for its tight integration with modern optimization analysis: rather than simply checking high-level assumptions made in the analysis (e.g. smoothness), we also verify key low-level identities used by the analysis to explain optimization behavior that might hold even if the high-level motivating assumptions do not. Notably, we find that smoothness-based analyses fail in practice under most scenarios, but the key identities commonly used in convex-optimization analyses often hold in practice despite the objective's global non-convexity.
Authors: Gabor Lugosi, Eulalia Nualart
Abstract: We study a continuous-time approximation of the stochastic gradient descent process for minimizing the population expected loss in learning problems. The main results establish general sufficient conditions for the convergence, extending the results of Chatterjee (2022) established for (nonstochastic) gradient descent. We show how the main result can be applied to the case of overparametrized neural network training.
Authors: Yongyi Yang, Core Francisco Park, Ekdeep Singh Lubana, Maya Okawa, Wei Hu, Hidenori Tanaka
Abstract: Prior work has shown that text-conditioned diffusion models can learn to identify and manipulate primitive concepts underlying a compositional data-generating process, enabling generalization to entirely novel, out-of-distribution compositions. Beyond performance evaluations, these studies develop a rich empirical phenomenology of learning dynamics, showing that models generalize sequentially, respecting the compositional hierarchy of the data-generating process. Moreover, concept-centric structures within the data significantly influence a model's speed of learning the ability to manipulate a concept. In this paper, we aim to better characterize these empirical results from a theoretical standpoint. Specifically, we propose an abstraction of prior work's compositional generalization problem by introducing a structured identity mapping (SIM) task, where a model is trained to learn the identity mapping on a Gaussian mixture with structurally organized centroids. We mathematically analyze the learning dynamics of neural networks trained on this SIM task and show that, despite its simplicity, SIM's learning dynamics capture and help explain key empirical observations on compositional generalization with diffusion models identified in prior work. Our theory also offers several new insights -- e.g., we find a novel mechanism for non-monotonic learning dynamics of test loss in early phases of training. We validate our new predictions by training a text-conditioned diffusion model, bridging our simplified framework and complex generative models. Overall, this work establishes the SIM task as a meaningful theoretical abstraction of concept learning dynamics in modern generative models.
Authors: Shao-Ting Chiu, Junyuan Hong, Ulisses Braga-Neto
Abstract: In-context learning (ICL) is the remarkable ability displayed by some machine learning models to learn from examples provided in a user prompt without any model parameter updates. ICL was first observed in the domain of large language models, and it has been widely assumed that it is a product of the attention mechanism in autoregressive transformers. In this paper, using stylized regression learning tasks, we demonstrate that ICL can emerge in a non-autoregressive neural architecture with a hard-coded permutation-invariance inductive bias. This novel architecture, called DeepOSets, combines the set learning properties of the DeepSets architecture with the operator learning capabilities of Deep Operator Networks (DeepONets). We provide a representation theorem for permutation-invariant regression learning operators and prove that DeepOSets are universal approximators of this class of operators. We performed comprehensive numerical experiments to evaluate the capabilities of DeepOSets in learning linear, polynomial, and shallow neural network regression, under varying noise levels, dimensionalities, and sample sizes. In the high-dimensional regime, accuracy was enhanced by replacing the DeepSets layer with a Set Transformer. Our results show that DeepOSets deliver accurate and fast results with an order of magnitude fewer parameters than a comparable transformer-based alternative.
Authors: Nandan Kumar Jha, Brandon Reagen
Abstract: Privacy-preserving computation enables language model inference directly on encrypted data yet suffers from prohibitive latency and communication overheads, primarily due to nonlinear functions. Removing nonlinearities, however, can trigger one of two failure modes restricting the potential for nonlinearity removal: entropy collapse in deeper layers, which destabilizes training, and entropic overload in early layers, causing under-utilization of attention heads. To address these challenges, we introduce AERO, an entropy-guided framework to strategically eliminates costly nonlinear operations from transformer architectures, which employs an adaptive recalibration through a head-wise entropy regularizer with learnable per-head strengths, enabling each head to adjust its entropy level while penalizing extreme entropies and fostering functional diversity through a tolerance margin. Experiments show AERO can save 3.4$\times$ communication and 1.4$\times$ latency, without any performance penalty.
Authors: Usman Akram, Haris Vikalo
Abstract: Predicting the behavior of a dynamical system from noisy observations of its past outputs is a classical problem encountered across engineering and science. For linear systems with Gaussian inputs, the Kalman filter -- the best linear minimum mean-square error estimator of the state trajectory -- is optimal in the Bayesian sense. For nonlinear systems, Bayesian filtering is typically approached using suboptimal heuristics such as the Extended Kalman Filter (EKF), or numerical methods such as particle filtering (PF). In this work, we show that transformers, employed in an in-context learning (ICL) setting, can implicitly infer hidden states in order to predict the outputs of a wide family of dynamical systems, without test-time gradient updates or explicit knowledge of the system model. Specifically, when provided with a short context of past input-output pairs and, optionally, system parameters, a frozen transformer accurately predicts the current output. In linear-Gaussian regimes, its predictions closely match those of the Kalman filter; in nonlinear regimes, its performance approaches that of EKF and PF. Moreover, prediction accuracy degrades gracefully when key parameters, such as the state-transition matrix, are withheld from the context, demonstrating robustness and implicit parameter inference. These findings suggest that transformer in-context learning provides a flexible, non-parametric alternative for output prediction in dynamical systems, grounded in implicit latent-state estimation.
Authors: Flavio Corradini, Flavio Gerosa, Marco Gori, Carlo Lucheroni, Marco Piangerelli, Martina Zannotti
Abstract: In recent years, spatio-temporal graph neural networks (GNNs) have attracted considerable interest in the field of time series analysis, due to their ability to capture, at once, dependencies among variables and across time points. The objective of this systematic literature review is hence to provide a comprehensive overview of the various modeling approaches and application domains of GNNs for time series classification and forecasting. A database search was conducted, and 366 papers were selected for a detailed examination of the current state-of-the-art in the field. This examination is intended to offer to the reader a comprehensive review of proposed models, links to related source code, available datasets, benchmark models, and fitting results. All this information is hoped to assist researchers in their studies. To the best of our knowledge, this is the first and broadest systematic literature review presenting a detailed comparison of results from current spatio-temporal GNN models applied to different domains. In its final part, this review discusses current limitations and challenges in the application of spatio-temporal GNNs, such as comparability, reproducibility, explainability, poor information capacity, and scalability. This paper is complemented by a GitHub repository at https://github.com/FlaGer99/SLR-Spatio-Temporal-GNN.git providing additional interactive tools to further explore the presented findings.
URLs: https://github.com/FlaGer99/SLR-Spatio-Temporal-GNN.git
Authors: Tianyi Qiu
Abstract: Social choice theory is the study of preference aggregation across a population, used both in mechanism design for human agents and in the democratic alignment of language models. In this study, we propose the representative social choice framework for the modeling of democratic representation in collective decisions, where the number of issues and individuals are too large for mechanisms to consider all preferences directly. These scenarios are widespread in real-world decision-making processes, such as jury trials, legislation, corporate governance, and, more recently, language model alignment. In representative social choice, the population is represented by a finite sample of individual-issue pairs based on which social choice decisions are made. We show that many of the deepest questions in representative social choice can be formulated as statistical learning problems, and prove the generalization properties of social choice mechanisms using the theory of machine learning. We further formulate axioms for representative social choice, and prove Arrow-like impossibility theorems with new combinatorial tools of analysis. Our framework introduces the representative approach to social choice, opening up research directions at the intersection of social choice, learning theory, and AI alignment.
Authors: Zhanke Zhou, Jianing Zhu, Fengfei Yu, Xuan Li, Xiong Peng, Tongliang Liu, Bo Han
Abstract: The success of deep neural networks has driven numerous research studies and applications from Euclidean to non-Euclidean data. However, there are increasing concerns about privacy leakage, as these networks rely on processing private data. Recently, a new type of privacy attack, the model inversion attacks (MIAs), aims to extract sensitive features of private data for training by abusing access to a well-trained model. The effectiveness of MIAs has been demonstrated in various domains, including images, texts, and graphs. These attacks highlight the vulnerability of neural networks and raise awareness about the risk of privacy leakage within the research community. Despite the significance, there is a lack of systematic studies that provide a comprehensive overview and deeper insights into MIAs across different domains. This survey aims to summarize up-to-date MIA methods in both attacks and defenses, highlighting their contributions and limitations, underlying modeling principles, optimization challenges, and future directions. We hope this survey bridges the gap in the literature and facilitates future research in this critical area. Besides, we are maintaining a repository to keep track of relevant research at https://github.com/AndrewZhou924/Awesome-model-inversion-attack.
URLs: https://github.com/AndrewZhou924/Awesome-model-inversion-attack.
Authors: Cheng Tang, Zhishuai Liu, Pan Xu
Abstract: The Robust Regularized Markov Decision Process (RRMDP) is proposed to learn policies robust to dynamics shifts by adding regularization to the transition dynamics in the value function. Existing methods mostly use unstructured regularization, potentially leading to conservative policies under unrealistic transitions. To address this limitation, we propose a novel framework, the $d$-rectangular linear RRMDP ($d$-RRMDP), which introduces latent structures into both transition kernels and regularization. We focus on offline reinforcement learning, where an agent learns policies from a precollected dataset in the nominal environment. We develop the Robust Regularized Pessimistic Value Iteration (R2PVI) algorithm that employs linear function approximation for robust policy learning in $d$-RRMDPs with $f$-divergence based regularization terms on transition kernels. We provide instance-dependent upper bounds on the suboptimality gap of R2PVI policies, demonstrating that these bounds are influenced by how well the dataset covers state-action spaces visited by the optimal robust policy under robustly admissible transitions. We establish information-theoretic lower bounds to verify that our algorithm is near-optimal. Finally, numerical experiments validate that R2PVI learns robust policies and exhibits superior computational efficiency compared to baseline methods.
Authors: Marcel Aach, Rakesh Sarma, Helmut Neukirchen, Morris Riedel, Andreas Lintermann
Abstract: On High-Performance Computing (HPC) systems, several hyperparameter configurations can be evaluated in parallel to speed up the Hyperparameter Optimization (HPO) process. State-of-the-art HPO methods follow a bandit-based approach and build on top of successive halving, where the final performance of a combination is estimated based on a lower than fully trained fidelity performance metric and more promising combinations are assigned more resources over time. Frequently, the number of epochs is treated as a resource, letting more promising combinations train longer. Another option is to use the number of workers as a resource and directly allocate more workers to more promising configurations via data-parallel training. This article proposes a novel Resource-Adaptive Successive Doubling Algorithm (RASDA), which combines a resource-adaptive successive doubling scheme with the plain Asynchronous Successive Halving Algorithm (ASHA). Scalability of this approach is shown on up to 1,024 Graphics Processing Units (GPUs) on modern HPC systems. It is applied to different types of Neural Networks (NNs) and trained on large datasets from the Computer Vision (CV), Computational Fluid Dynamics (CFD), and Additive Manufacturing (AM) domains, where performing more than one full training run is usually infeasible. Empirical results show that RASDA outperforms ASHA by a factor of up to 1.9 with respect to the runtime. At the same time, the solution quality of final ASHA models is maintained or even surpassed by the implicit batch size scheduling of RASDA. With RASDA, systematic HPO is applied to a terabyte-scale scientific dataset for the first time in the literature, enabling efficient optimization of complex models on massive scientific data. The implementation of RASDA is available on https://github.com/olympiquemarcel/rasda
Authors: Nathan Phelps, Daniel J. Lizotte, Douglas G. Woolford
Abstract: When using machine learning for imbalanced binary classification problems, it is common to subsample the majority class to create a (more) balanced training dataset. This biases the model's predictions because the model learns from data whose data generating process differs from new data. One way of accounting for this bias is analytically mapping the resulting predictions to new values based on the sampling rate for the majority class. We show that calibrating a random forest this way has negative consequences, including prevalence estimates that depend on both the number of predictors considered at each split in the random forest and the sampling rate used. We explain the former using known properties of random forests and analytical calibration. Through investigating the latter issue, we made a surprising discovery - contrary to the widespread belief that decision trees are biased towards the majority class, they actually can be biased towards the minority class.
Authors: Fahim Tajwar, Yiding Jiang, Abitha Thankaraj, Sumaita Sadia Rahman, J Zico Kolter, Jeff Schneider, Ruslan Salakhutdinov
Abstract: Efficient exploration is essential for intelligent systems interacting with their environment, but existing language models often fall short in scenarios that require strategic information gathering. In this paper, we present Paprika, a fine-tuning approach that enables language models to develop general decision-making capabilities that are not confined to particular environments. By training on synthetic interaction data from different tasks that require diverse strategies, Paprika teaches models to explore and adapt their behavior on a new task based on environment feedback in-context without more gradient updates. Experimental results show that models fine-tuned with Paprika can effectively transfer their learned decision-making capabilities to entirely unseen tasks without additional training. Unlike traditional training, our approach's primary bottleneck lies in sampling useful interaction data instead of model updates. To improve sample efficiency, we propose a curriculum learning strategy that prioritizes sampling trajectories from tasks with high learning potential. These results suggest a promising path towards AI systems that can autonomously solve novel sequential decision-making problems that require interactions with the external world.
Authors: Xuyang Zhong, Yixiao Huang, Chen Liu
Abstract: This paper studies fast adversarial training against sparse adversarial perturbations bounded by $l_0$ norm. We demonstrate the challenges of employing $1$-step attacks on $l_0$ bounded perturbations for fast adversarial training, including degraded performance and the occurrence of catastrophic overfitting (CO). We highlight that CO in $l_0$ adversarial training is caused by sub-optimal perturbation locations of $1$-step attack. Theoretical and empirical analyses reveal that the loss landscape of $l_0$ adversarial training is more craggy compared to its $l_\infty$, $l_2$ and $l_1$ counterparts. Moreover, we corroborate that the craggy loss landscape can aggravate CO. To address these issues, we propose Fast-LS-$l_0$ that incorporates soft labels and the trade-off loss function to smooth the adversarial loss landscape. Extensive experiments demonstrate our method can overcome the challenge of catastrophic overfitting, achieve state-of-the-art performance, and narrow down the performance gap between $1$-step and multi-step adversarial training against sparse attacks.
Authors: Tuan Le, Shana Moothedath
Abstract: In this paper, we propose BR-MTRL, a Byzantine-resilient multi-task representation learning framework that handles faulty or malicious agents. Our approach leverages representation learning through a shared neural network model, where all clients share fixed layers, except for a client-specific final layer. This structure captures shared features among clients while enabling individual adaptation, making it a promising approach for leveraging client data and computational power in heterogeneous federated settings to learn personalized models. To learn the model, we employ an alternating gradient descent strategy: each client optimizes its local model, updates its final layer, and sends estimates of the shared representation to a central server for aggregation. To defend against Byzantine agents, we employ two robust aggregation methods for client-server communication, Geometric Median and Krum. Our method enables personalized learning while maintaining resilience in distributed settings. We implemented the proposed algorithm in a federated testbed built using Amazon Web Services (AWS) platform and compared its performance with various benchmark algorithms and their variations. Through experiments using real-world datasets, including CIFAR-10 and FEMNIST, we demonstrated the effectiveness and robustness of our approach and its transferability to new unseen clients with limited data, even in the presence of Byzantine adversaries.
Authors: Zhanke Zhou, Zhaocheng Zhu, Xuan Li, Mikhail Galkin, Xiao Feng, Sanmi Koyejo, Jian Tang, Bo Han
Abstract: Numerous applications of large language models (LLMs) rely on their ability to perform step-by-step reasoning. However, the reasoning behavior of LLMs remains poorly understood, posing challenges to research, development, and safety. To address this gap, we introduce landscape of thoughts (LoT), the first landscape visualization tool to inspect the reasoning trajectories with certain reasoning methods on any multi-choice dataset. We represent the textual states in a trajectory as numerical features that quantify the states' distances to the answer choices. These features are then visualized in two-dimensional plots using t-SNE. Qualitative and quantitative analysis with the landscape of thoughts effectively distinguishes between strong and weak models, correct and incorrect answers, as well as different reasoning tasks. It also uncovers undesirable reasoning patterns, such as low consistency and high uncertainty. Additionally, users can adapt LoT to a model that predicts the property they observe. We showcase this advantage by adapting LoT to a lightweight verifier that evaluates the correctness of trajectories. Empirically, this verifier boosts the reasoning accuracy and the test-time scaling effect. The code is publicly available at: https://github.com/tmlr-group/landscape-of-thoughts.
Authors: Josh Millar, Yushan Huang, Sarab Sethi, Hamed Haddadi, Anil Madhavapeddy
Abstract: Efficient on-device neural network (NN) inference offers predictable latency, improved privacy and reliability, and lower operating costs for vendors than cloud-based inference. This has sparked recent development of microcontroller-scale NN accelerators, also known as neural processing units ($\mu$NPUs), designed specifically for ultra-low-power applications. We present the first comparative evaluation of a number of commercially-available $\mu$NPUs, including the first independent benchmarks for multiple platforms. To ensure fairness, we develop and open-source a model compilation pipeline supporting consistent benchmarking of quantized models across diverse microcontroller hardware. Our resulting analysis uncovers both expected performance trends as well as surprising disparities between hardware specifications and actual performance, including certain $\mu$NPUs exhibiting unexpected scaling behaviors with model complexity. This work provides a foundation for ongoing evaluation of $\mu$NPU platforms, alongside offering practical insights for both hardware and software developers in this rapidly evolving space.
Authors: Yongyi Yang, Jianyang Gao, Wei Hu
Abstract: Post-training Quantization (PTQ) has become a widely used technique for improving inference efficiency of large language models (LLMs). However, existing PTQ methods generally suffer from crucial limitations such as heavy calibration data requirements and inflexible choice of target number of bits. In this paper, we propose RaanA, a unified PTQ framework that overcomes these challenges by introducing two novel components: 1) RaBitQ-H, a variant of a randomized vector quantization method RaBitQ, designed for fast, accurate, and highly efficient quantization; and 2) AllocateBits, an algorithm that optimally allocates bit-widths across layers based on their quantization sensitivity. RaanA achieves competitive performance with state-of-the-art quantization methods while being extremely fast, requiring minimal calibration data, and enabling flexible bit allocation. Extensive experiments demonstrate RaanA's efficacy in balancing efficiency and accuracy. The code is publicly available at https://github.com/FFTYYY/RaanA .
Authors: Xuyang Zhong, Haochen Luo, Chen Liu
Abstract: Existing machine unlearning (MU) approaches exhibit significant sensitivity to hyperparameters, requiring meticulous tuning that limits practical deployment. In this work, we first empirically demonstrate the instability and suboptimal performance of existing popular MU methods when deployed in different scenarios. To address this issue, we propose Dual Optimizer (DualOptim), which incorporates adaptive learning rate and decoupled momentum factors. Empirical and theoretical evidence demonstrates that DualOptim contributes to effective and stable unlearning. Through extensive experiments, we show that DualOptim can significantly boost MU efficacy and stability across diverse tasks, including image classification, image generation, and large language models, making it a versatile approach to empower existing MU algorithms.
Authors: Hiroki Hasegawa, Yukihiko Okada
Abstract: Recent advances in IoT and biometric sensing technologies have led to the generation of massive and high-dimensional tensor data, yet achieving accurate and efficient low-rank approximation remains a major challenge. Most existing tensor decomposition methods require predefined ranks and iterative optimization, resulting in high computational costs and dependence on analyst expertise. This study proposes a novel tensor low-rank approximation method that eliminates both prior rank specification and iterative optimization. The method applies statistical singular value hard thresholding to each mode-wise unfolded matrix to automatically extract statistically significant components, effectively reducing noise while preserving the intrinsic structure. Theoretically, the optimal thresholds for each mode are derived from the asymptotic properties of the Marcenko-Pastur distribution. Simulation experiments demonstrate that the proposed method outperforms conventional approaches (HOSVD, HOOI, and Tucker-L2E) in both estimation accuracy and computational efficiency. These results indicate that the proposed approach provides a theoretically grounded, fully automatic, and non-iterative framework for tensor decomposition.
Authors: H\'eber H. Arcolezi, Mina Alishahi, Adda-Akram Bendoukha, Nesrine Kaaniche
Abstract: Machine learning (ML) algorithms are heavily based on the availability of training data, which, depending on the domain, often includes sensitive information about data providers. This raises critical privacy concerns. Anonymization techniques have emerged as a practical solution to address these issues by generalizing features or suppressing data to make it more difficult to accurately identify individuals. Although recent studies have shown that privacy-enhancing technologies can influence ML predictions across different subgroups, thus affecting fair decision-making, the specific effects of anonymization techniques, such as $k$-anonymity, $\ell$-diversity, and $t$-closeness, on ML fairness remain largely unexplored. In this work, we systematically audit the impact of anonymization techniques on ML fairness, evaluating both individual and group fairness. Our quantitative study reveals that anonymization can degrade group fairness metrics by up to fourfold. Conversely, similarity-based individual fairness metrics tend to improve under stronger anonymization, largely as a result of increased input homogeneity. By analyzing varying levels of anonymization across diverse privacy settings and data distributions, this study provides critical insights into the trade-offs between privacy, fairness, and utility, offering actionable guidelines for responsible AI development. Our code is publicly available at: https://github.com/hharcolezi/anonymity-impact-fairness.
URLs: https://github.com/hharcolezi/anonymity-impact-fairness.
Authors: Zhexiang Li, Haoyu Wang, Yutong Bao, David Woodruff
Abstract: Recent advances in transformer architectures deeply enhanced long-context language modeling. Among them, HyperAttention achieves competitive efficiency by combining a single-level LSH-based clustering with uniform residual sampling. However, HyperAttention fails to find all significant keys, which in turn raises the overall perplexity. We propose a pre-scoring mechanism that prioritizes significant keys before applying HyperAttention. We introduce three scoring methods: $k$-means and kernel $k$-means clustering, $k$-median clustering, and leverage score-based ranking (inspired by LevAttention) to filter keys effectively. We further replace HyperAttention's original uniform residual sampling, relying exclusively on our pre-scoring mechanism. Experiments on ChatGLM2 (131k token context) reduce perplexity from 12 to 8.3, which outperforms standard HyperAttention. Moreover, when running on the Vision-Transformer (ViT), our method shows that it can guarantee similar accuracy compared with LevAttention, and will surpass LevAttention given specific parameters. Although this method introduces some computational overhead, its combination with HyperAttention achieves up to 20 times faster than FlashAttention, providing a balanced trade-off between speed and modeling accuracy. Our results highlight the effectiveness of integrating pre-scoring into hierarchical attention mechanisms, significantly improving transformer efficiency.
Authors: Jintao Zhang, Jia Wei, Pengle Zhang, Xiaoming Xu, Haofeng Huang, Haoxu Wang, Kai Jiang, Jun Zhu, Jianfei Chen
Abstract: The efficiency of attention is important due to its quadratic time complexity. We enhance the efficiency of attention through two key contributions: First, we leverage the new FP4 Tensor Cores in Blackwell GPUs to accelerate attention computation. Our implementation achieves 1038 TOPS on RTX5090, which is a 5x speedup over the fastest FlashAttention on RTX5090. Experiments show that our FP4 attention can accelerate inference of various models in a plug-and-play way. Second, we pioneer low-bit attention to training tasks. Existing low-bit attention works like FlashAttention3 and SageAttention focus only on inference. However, the efficiency of training large models is also important. To explore whether low-bit attention can be effectively applied to training tasks, we design an accurate and efficient 8-bit attention for both forward and backward propagation. Experiments indicate that 8-bit attention achieves lossless performance in fine-tuning tasks but exhibits slower convergence in pretraining tasks. The code is available at https://github.com/thu-ml/SageAttention.
Authors: Chenyu Zheng, Xinyu Zhang, Rongzhen Wang, Wei Huang, Zhi Tian, Weilin Huang, Jun Zhu, Chongxuan Li
Abstract: Diffusion Transformers have emerged as the foundation for vision generative models, but their scalability is limited by the high cost of hyperparameter (HP) tuning at large scales. Recently, Maximal Update Parametrization ($\mu$P) was proposed for vanilla Transformers, which enables stable HP transfer from small to large language models, and dramatically reduces tuning costs. However, it remains unclear whether $\mu$P of vanilla Transformers extends to diffusion Transformers, which differ architecturally and objectively. In this work, we generalize standard $\mu$P to diffusion Transformers and validate its effectiveness through large-scale experiments. First, we rigorously prove that $\mu$P of mainstream diffusion Transformers, including U-ViT, DiT, PixArt-$\alpha$, and MMDiT, aligns with that of the vanilla Transformer, enabling the direct application of existing $\mu$P methodologies. Leveraging this result, we systematically demonstrate that DiT-$\mu$P enjoys robust HP transferability. Notably, DiT-XL-2-$\mu$P with transferred learning rate achieves 2.9 times faster convergence than the original DiT-XL-2. Finally, we validate the effectiveness of $\mu$P on text-to-image generation by scaling PixArt-$\alpha$ from 0.04B to 0.61B and MMDiT from 0.18B to 18B. In both cases, models under $\mu$P outperform their respective baselines while requiring small tuning cost, only 5.5% of one training run for PixArt-$\alpha$ and 3% of consumption by human experts for MMDiT-18B. These results establish $\mu$P as a principled and efficient framework for scaling diffusion Transformers.
Authors: Ata Akbari Asanjan, Olivia Alexander, Tom Berg, Stephen Peng, Jad Makki, Clara Zhang, Matt Yang, Disha Shidham, Srija Chakraborty, William Bender, Cara Crawford, Arun Ravindran, Olivier Raiman, David Potere, David Bell
Abstract: We introduce GAIA (Geospatial Artificial Intelligence for Atmospheres), a hybrid self-supervised geospatial foundation model that fuses Masked Autoencoders (MAE) with self-distillation with no labels (DINO) to generate semantically rich representations from global geostationary satellite imagery. Pre-trained on 15 years of globally-merged infrared observations (2001-2015), GAIA learns disentangled representations that capture atmospheric dynamics rather than trivial diurnal patterns, as evidenced by distributed principal component structure and temporal coherence analysis. We demonstrate robust reconstruction capabilities across varying data availability (30-95% masking), achieving superior gap-filling performance on real missing data patterns. When transferred to downstream tasks, GAIA consistently outperforms an MAE-only baseline: improving atmospheric river segmentation (F1: 0.58 vs 0.52), enhancing tropical cyclone detection (storm-level recall: 81% vs 75%, early detection: 29% vs 17%), and maintaining competitive precipitation estimation performance. Analysis reveals that GAIA's hybrid objectives encourage learning of spatially coherent, object-centric features distributed across multiple principal components rather than concentrated representations focused on reconstruction. This work demonstrates that combining complementary self-supervised objectives yields more transferable representations for diverse atmospheric modeling tasks. Model weights and code are available at: https://huggingface.co/bcg-usra-nasa-gaia/GAIA-v1.
Authors: Minrui Luo, Fuhang Kuang, Yu Wang, Zirui Liu, Tianxing He
Abstract: Parameter-Efficient Fine-Tuning (PEFT) methods, particularly Low-Rank Adaptation (LoRA), are indispensable for efficiently customizing Large Language Models (LLMs). However, vanilla LoRA suffers from slow convergence speed and knowledge forgetting problems. Recent studies have leveraged the power of designed LoRA initialization, to enhance the fine-tuning efficiency, or to preserve knowledge in the pre-trained LLM. However, none of these works can address the two cases at the same time. To this end, we introduce Subspace-Constrained LoRA (SC-LoRA), a novel LoRA initialization framework engineered to navigate the trade-off between efficient fine-tuning and knowledge preservation. We achieve this by constraining the output of trainable LoRA adapters in a low-rank subspace, where the context information of fine-tuning data is most preserved while the context information of preserved knowledge is least retained, in a balanced way. Such constraint enables the trainable weights to primarily focus on the main features of fine-tuning data while avoiding damaging the preserved knowledge features. We provide theoretical analysis on our method, and conduct extensive experiments including safety preservation and world knowledge preservation, on various downstream tasks. In our experiments, SC-LoRA succeeds in delivering superior fine-tuning performance while markedly diminishing knowledge forgetting, surpassing contemporary LoRA initialization methods.
Authors: ChengAo Shen, Wenchao Yu, Ziming Zhao, Dongjin Song, Wei Cheng, Haifeng Chen, Jingchao Ni
Abstract: Time series, typically represented as numerical sequences, can also be transformed into images and texts, offering multi-modal views (MMVs) of the same underlying signal. These MMVs can reveal complementary patterns and enable the use of powerful pre-trained large models, such as large vision models (LVMs), for long-term time series forecasting (LTSF). However, as we identified in this work, the state-of-the-art (SOTA) LVM-based forecaster poses an inductive bias towards "forecasting periods". To harness this bias, we propose DMMV, a novel decomposition-based multi-modal view framework that leverages trend-seasonal decomposition and a novel backcast-residual based adaptive decomposition to integrate MMVs for LTSF. Comparative evaluations against 14 SOTA models across diverse datasets show that DMMV outperforms single-view and existing multi-modal baselines, achieving the best mean squared error (MSE) on 6 out of 8 benchmark datasets. The code for this paper is available at: https://github.com/D2I-Group/dmmv.
Authors: Yuchen Liang, Renxiang Huang, Lifeng Lai, Ness Shroff, Yingbin Liang
Abstract: Discrete state space diffusion models have shown significant advantages in applications involving discrete data, such as text and image generation. It has also been observed that their performance is highly sensitive to the choice of rate matrices, particularly between uniform and absorbing rate matrices. While empirical results suggest that absorbing rate matrices often yield better generation quality compared to uniform rate matrices, existing theoretical works have largely focused on the uniform rate matrices case. Notably, convergence guarantees and error analyses for absorbing diffusion models are still missing. In this work, we provide the first finite-time error bounds and convergence rate analysis for discrete diffusion models using absorbing rate matrices. We begin by deriving an upper bound on the KL divergence of the forward process, introducing a surrogate initialization distribution to address the challenge posed by the absorbing stationary distribution, which is a singleton and causes the KL divergence to be ill-defined. We then establish the first convergence guarantees for both the $\tau$-leaping and uniformization samplers under absorbing rate matrices, demonstrating improved rates over their counterparts using uniform rate matrices. Furthermore, under suitable assumptions, we provide convergence guarantees without early stopping. Our analysis introduces several new technical tools to address challenges unique to absorbing rate matrices. These include a Jensen-type argument for bounding forward process convergence, novel techniques for bounding absorbing score functions, and a non-divergent upper bound on the score near initialization that removes the need of early-stopping.
Authors: Kai Lion, Liang Zhang, Bingcong Li, Niao He
Abstract: We show that low-rank adaptation of large-scale models suffers from a low stable rank that is well below the linear algebraic rank of the subspace, degrading fine-tuning performance. To mitigate the underutilization of the allocated subspace, we propose PoLAR, a parameterization inspired by the polar decomposition that factorizes the low-rank update into two direction matrices constrained to Stiefel manifolds and an unconstrained scale matrix. Our theory shows that PoLAR yields an exponentially faster convergence rate on a canonical low-rank adaptation problem. Pairing the parameterization with Riemannian optimization leads to consistent gains on three different benchmarks testing general language understanding, commonsense reasoning, and mathematical problem solving with base model sizes ranging from 350M to 27B.
Authors: Pierre-Fran\c{c}ois Massiani, Christian Fiedler, Lukas Haverbeck, Friedrich Solowjow, Sebastian Trimpe
Abstract: We propose a framework for hypothesis testing on conditional probability distributions, which we then use to construct statistical tests of functionals of conditional distributions. These tests identify the inputs where the functionals differ with high probability, and include tests of conditional moments or two-sample tests. Our key idea is to transform confidence bounds of a learning method into a test of conditional expectations. We instantiate this principle for kernel ridge regression (KRR) with subgaussian noise. An intermediate data embedding then enables more general tests -- including conditional two-sample tests -- via kernel mean embeddings of distributions. To have guarantees in this setting, we generalize existing pointwise-in-time or time-uniform confidence bounds for KRR to previously-inaccessible yet essential cases such as infinite-dimensional outputs with non-trace-class kernels. These bounds also circumvent the need for independent data, allowing for instance online sampling. To make our tests readily applicable in practice, we introduce bootstrapping schemes leveraging the parametric form of testing thresholds identified in theory to avoid tuning inaccessible parameters. We illustrate the tests on examples, including one in process monitoring and comparison of dynamical systems. Overall, our results establish a comprehensive foundation for conditional testing on functionals, from theoretical guarantees to an algorithmic implementation, and advance the state of the art on confidence bounds for vector-valued least squares estimation.
Authors: Pengfei Hu, Xiaoxue Han, Fei Wang, Yue Ning
Abstract: Healthcare providers often divide patient populations into cohorts based on shared clinical factors, such as medical history, to deliver personalized healthcare services. This idea has also been adopted in clinical prediction models, where it presents a vital challenge: capturing both global and cohort-specific patterns while enabling model generalization to unseen domains. Addressing this challenge falls under the scope of domain generalization (DG). However, conventional DG approaches often struggle in clinical settings due to the absence of explicit domain labels and the inherent gap in medical knowledge. To address this, we propose UdonCare, a hierarchy-guided method that iteratively divides patients into latent domains and decomposes domain-invariant (label) information from patient data. Our method identifies patient domains by pruning medical ontologies (e.g. ICD-9-CM hierarchy). On two public datasets, MIMIC-III and MIMIC-IV, UdonCare shows superiority over eight baselines across four clinical prediction tasks with substantial domain gaps, highlighting the untapped potential of medical knowledge in guiding clinical domain generalization problems.
Authors: Zhenqiao Song, Tiaoxiao Li, Lei Li, Martin Renqiang Min
Abstract: Designing protein-binding proteins with high affinity is critical in biomedical research and biotechnology. Despite recent advancements targeting specific proteins, the ability to create high-affinity binders for arbitrary protein targets on demand, without extensive rounds of wet-lab testing, remains a significant challenge. Here, we introduce PPDiff, a diffusion model to jointly design the sequence and structure of binders for arbitrary protein targets in a non-autoregressive manner. PPDiffbuilds upon our developed Sequence Structure Interleaving Network with Causal attention layers (SSINC), which integrates interleaved self-attention layers to capture global amino acid correlations, k-nearest neighbor (kNN) equivariant graph layers to model local interactions in three-dimensional (3D) space, and causal attention layers to simplify the intricate interdependencies within the protein sequence. To assess PPDiff, we curate PPBench, a general protein-protein complex dataset comprising 706,360 complexes from the Protein Data Bank (PDB). The model is pretrained on PPBenchand finetuned on two real-world applications: target-protein mini-binder complex design and antigen-antibody complex design. PPDiffconsistently surpasses baseline methods, achieving success rates of 50.00%, 23.16%, and 16.89% for the pretraining task and the two downstream applications, respectively. The code, data and models are available at https://github.com/JocelynSong/PPDiff.
Authors: Katharina Limbeck, Lydia Mezrag, Guy Wolf, Bastian Rieck
Abstract: Graph Neural Networks (GNNs) have shown significant success for graph-based tasks. Motivated by the prevalence of large datasets in real-world applications, pooling layers are crucial components of GNNs. By reducing the size of input graphs, pooling enables faster training and potentially better generalisation. However, existing pooling operations often optimise for the learning task at the expense of discarding fundamental graph structures, thus reducing interpretability. This leads to unreliable performance across dataset types, downstream tasks and pooling ratios. Addressing these concerns, we propose novel graph pooling layers for structure-aware pooling via edge collapses. Our methods leverage diffusion geometry and iteratively reduce a graph's size while preserving both its metric structure and its structural diversity. We guide pooling using magnitude, an isometry-invariant diversity measure, which permits us to control the fidelity of the pooling process. Further, we use the spread of a metric space as a faster and more stable alternative ensuring computational efficiency. Empirical results demonstrate that our methods (i) achieve top performance compared to alternative pooling layers across a range of diverse graph classification tasks, (ii) preserve key spectral properties of the input graphs, and (iii) retain high accuracy across varying pooling ratios.
Authors: Caio F. Deberaldini Netto, Zhiyang Wang, Luana Ruiz
Abstract: We propose a graph semi-supervised learning framework for classification tasks on data manifolds. Motivated by the manifold hypothesis, we model data as points sampled from a low-dimensional manifold $\mathcal{M} \subset \mathbb{R}^F$. The manifold is approximated in an unsupervised manner using a variational autoencoder (VAE), where the trained encoder maps data to embeddings that represent their coordinates in $\mathbb{R}^F$. A geometric graph is constructed with Gaussian-weighted edges inversely proportional to distances in the embedding space, transforming the point classification problem into a semi-supervised node classification task on the graph. This task is solved using a graph neural network (GNN). Our main contribution is a theoretical analysis of the statistical generalization properties of this data-to-manifold-to-graph pipeline. We show that, under uniform sampling from $\mathcal{M}$, the generalization gap of the semi-supervised task diminishes with increasing graph size, up to the GNN training error. Leveraging a training procedure which resamples a slightly larger graph at regular intervals during training, we then show that the generalization gap can be reduced even further, vanishing asymptotically. Finally, we validate our findings with numerical experiments on image classification benchmarks, demonstrating the empirical effectiveness of our approach.
Authors: Matteo Ninniri, Marco Podda, Davide Bacciu
Abstract: Generative models of graphs based on discrete Denoising Diffusion Probabilistic Models (DDPMs) offer a principled approach to molecular generation by systematically removing structural noise through iterative atom and bond adjustments. However, existing formulations are fundamentally limited by their inability to adapt the graph size (that is, the number of atoms) during the diffusion process, severely restricting their effectiveness in conditional generation scenarios such as property-driven molecular design, where the targeted property often correlates with the molecular size. In this paper, we reformulate the noising and denoising processes to support monotonic insertion and deletion of nodes. The resulting model, which we call GrIDDD, dynamically grows or shrinks the chemical graph during generation. GrIDDD matches or exceeds the performance of existing graph diffusion models on molecular property targeting despite being trained on a more difficult problem. Furthermore, when applied to molecular optimization, GrIDDD exhibits competitive performance compared to specialized optimization models. This work paves the way for size-adaptive molecular generation with graph diffusion.
Authors: Anirudh Varanasi, Robin Degraeve, Philippe Roussel, Clement Merckling
Abstract: Random telegraph noise is a prevalent variability phenomenon in nanoelectronic devices, arising from stochastic carrier exchange at defect sites and critically impacting device reliability and performance. Conventional analysis techniques often rely on restrictive assumptions or manual interventions, limiting their applicability to complex, noisy datasets. Here, we introduce RTNinja, a generalized, fully automated machine learning framework for the unsupervised analysis of random telegraph noise signals. RTNinja deconvolves complex signals to identify the number and characteristics of hidden individual sources, without requiring prior knowledge of the system. The framework comprises two modular components: LevelsExtractor, which uses Bayesian inference and model selection to denoise and discretize the signal; and SourcesMapper, which infers source configurations through probabilistic clustering and optimization. To evaluate performance, we developed a Monte Carlo simulator that generates labeled datasets spanning broad signal-to-noise ratios and source complexities; across 7000 such datasets, RTNinja consistently demonstrated high-fidelity signal reconstruction and accurate extraction of source amplitudes and activity patterns. Our results demonstrate that RTNinja offers a robust, scalable, and device-agnostic tool for random telegraph noise characterization, enabling large-scale statistical benchmarking, reliability-centric technology qualification, predictive failure modeling, and device physics exploration in next-generation nanoelectronics.
Authors: Thomas T. Zhang, Daniel Pfrommer, Chaoyi Pan, Nikolai Matni, Max Simchowitz
Abstract: This paper presents a theoretical analysis of two of the most impactful interventions in modern learning from demonstration in robotics and continuous control: the practice of action-chunking (predicting sequences of actions in open-loop) and exploratory augmentation of expert demonstrations. Though recent results show that learning from demonstration, also known as imitation learning (IL), can suffer errors that compound exponentially with task horizon in continuous settings, we demonstrate that action chunking and exploratory data collection circumvent exponential compounding errors in different regimes. Our results identify control-theoretic stability as the key mechanism underlying the benefits of these interventions. On the empirical side, we validate our predictions and the role of control-theoretic stability through experimentation on popular robot learning benchmarks. On the theoretical side, we demonstrate that the control-theoretic lens provides fine-grained insights into how compounding error arises, leading to tighter statistical guarantees on imitation learning error when these interventions are applied than previous techniques based on information-theoretic considerations alone.
Authors: Tien Huu Do, Antoine Masquelier, Nae Eoun Lee, Jonathan Crowther
Abstract: Clinical trials are a systematic endeavor to assess the safety and efficacy of new drugs or treatments. Conducting such trials typically demands significant financial investment and meticulous planning, highlighting the need for accurate predictions of trial outcomes. Accurately predicting patient enrollment, a key factor in trial success, is one of the primary challenges during the planning phase. In this work, we propose a novel deep learning-based method to address this critical challenge. Our method, implemented as a neural network model, leverages pre-trained language models (PLMs) to capture the complexities and nuances of clinical documents, transforming them into expressive representations. These representations are then combined with encoded tabular features via an attention mechanism. To account for uncertainties in enrollment prediction, we enhance the model with a probabilistic layer based on the Gamma distribution, which enables range estimation. We apply the proposed model to predict clinical trial duration, assuming site-level enrollment follows a Poisson-Gamma process. We carry out extensive experiments on real-world clinical trial data, and show that the proposed method can effectively predict the number of patients enrolled at a number of sites for a given clinical trial, outperforming established baseline models.
Authors: Qinglong Hu, Xialiang Tong, Mingxuan Yuan, Fei Liu, Zhichao Lu, Qingfu Zhang
Abstract: Deep reinforcement learning has achieved impressive success in control tasks. However, its policies, represented as opaque neural networks, are often difficult for humans to understand, verify, and debug, which undermines trust and hinders real-world deployment. This work addresses this challenge by introducing a novel approach for programmatic control policy discovery, called Multimodal Large Language Model-assisted Evolutionary Search (MLES). MLES utilizes multimodal large language models as programmatic policy generators, combining them with evolutionary search to automate policy generation. It integrates visual feedback-driven behavior analysis within the policy generation process to identify failure patterns and guide targeted improvements, thereby enhancing policy discovery efficiency and producing adaptable, human-aligned policies. Experimental results demonstrate that MLES achieves performance comparable to Proximal Policy Optimization (PPO) across two standard control tasks while providing transparent control logic and traceable design processes. This approach also overcomes the limitations of predefined domain-specific languages, facilitates knowledge transfer and reuse, and is scalable across various tasks, showing promise as a new paradigm for developing transparent and verifiable control policies.
Authors: Marc Boull\'e, Nicolas Voisine, Bruno Guerraz, Carine Hue, Felipe Olmos, Vladimir Popescu, St\'ephane Gouache, St\'ephane Bouget, Alexis Bondu, Luc Aurelien Gauthier, Yassine Nair Benrekia, Fabrice Cl\'erot, Vincent Lemaire
Abstract: Khiops is an open source machine learning tool designed for mining large multi-table databases. Khiops is based on a unique Bayesian approach that has attracted academic interest with more than 20 publications on topics such as variable selection, classification, decision trees and co-clustering. It provides a predictive measure of variable importance using discretisation models for numerical data and value clustering for categorical data. The proposed classification/regression model is a naive Bayesian classifier incorporating variable selection and weight learning. In the case of multi-table databases, it provides propositionalisation by automatically constructing aggregates. Khiops is adapted to the analysis of large databases with millions of individuals, tens of thousands of variables and hundreds of millions of records in secondary tables. It is available on many environments, both from a Python library and via a user interface.
Authors: Yujie Zhu, Charles A. Hepburn, Matthew Thorpe, Giovanni Montana
Abstract: In reinforcement learning with sparse rewards, demonstrations can accelerate learning, but determining when to imitate them remains challenging. We propose Smooth Policy Regularisation from Demonstrations (SPReD), a framework that addresses the fundamental question: when should an agent imitate a demonstration versus follow its own policy? SPReD uses ensemble methods to explicitly model Q-value distributions for both demonstration and policy actions, quantifying uncertainty for comparisons. We develop two complementary uncertainty-aware methods: a probabilistic approach estimating the likelihood of demonstration superiority, and an advantage-based approach scaling imitation by statistical significance. Unlike prevailing methods (e.g. Q-filter) that make binary imitation decisions, SPReD applies continuous, uncertainty-proportional regularisation weights, reducing gradient variance during training. Despite its computational simplicity, SPReD achieves remarkable gains in experiments across eight robotics tasks, outperforming existing approaches by up to a factor of 14 in complex tasks while maintaining robustness to demonstration quality and quantity. Our code is available at https://github.com/YujieZhu7/SPReD.
Authors: Yuchen Liang, Yingbin Liang, Lifeng Lai, Ness Shroff
Abstract: Discrete diffusion models have recently gained significant prominence in applications involving natural language and graph data. A key factor influencing their effectiveness is the efficiency of discretized samplers. Among these, $\tau$-leaping samplers have become particularly popular due to their theoretical and empirical success. However, existing theoretical analyses of $\tau$-leaping often rely on somewhat restrictive and difficult-to-verify regularity assumptions, and their convergence bounds contain quadratic dependence on the vocabulary size. In this work, we introduce a new analytical approach for discrete diffusion models that removes the need for such assumptions. For the standard $\tau$-leaping method, we establish convergence guarantees in KL divergence that scale linearly with vocabulary size, improving upon prior results with quadratic dependence. Our approach is also more broadly applicable: it provides the first convergence guarantees for other widely used samplers, including the Euler method and Tweedie $\tau$-leaping. Central to our approach is a novel technique based on differential inequalities, offering a more flexible alternative to the traditional Girsanov change-of-measure methods. This technique may also be of independent interest for the analysis of other stochastic processes.
Authors: Bartosz Cywi\'nski, Emil Ryd, Rowan Wang, Senthooran Rajamanoharan, Neel Nanda, Arthur Conmy, Samuel Marks
Abstract: We study secret elicitation: discovering knowledge that an AI possesses but does not explicitly verbalize. As a testbed, we train three families of large language models (LLMs) to possess specific knowledge that they apply downstream but deny knowing when asked directly. For example, in one setting, we train an LLM to generate replies that are consistent with knowing the user is female, while denying this knowledge when asked directly. We then design various black-box and white-box secret elicitation techniques and evaluate them based on whether they can help an LLM auditor successfully guess the secret knowledge. Many of our techniques improve on simple baselines. Our most effective techniques (performing best in all settings) are based on prefill attacks, a black-box technique where the LLM reveals secret knowledge when generating a completion from a predefined prefix. Our white-box techniques based on logit lens and sparse autoencoders (SAEs) also consistently increase the success rate of the LLM auditor, but are less effective. We release our models and code, establishing a public benchmark for evaluating secret elicitation methods.
Authors: Wanjia Zhao, Qinwei Ma, Jingzhe Shi, Shirley Wu, Jiaqi Han, Yijia Xiao, Si-Yuan Chen, Xiao Luo, Ludwig Schmidt, James Zou
Abstract: Benchmarks for competition-style reasoning have advanced evaluation in mathematics and programming, yet physics remains comparatively explored. Most existing physics benchmarks evaluate only final answers, which fail to capture reasoning processes, while recent stepwise methods rely on heuristic LLM-as-judge scoring or restrictive linear assumptions, limiting reliability and diagnostic validity. We introduce PRISM-Physics, a process-level evaluation framework and benchmark for complex physics reasoning problems. Solutions are represented as directed acyclic graphs (DAGs) of formulas, explicitly encoding causal dependencies among intermediate steps to enable fine-grained, interpretable, and theoretically grounded scoring. We prove the optimality of the DAG representation and the corresponding scoring policy. Combining with a fully rule-based method for symbolic formula equivalence matching that we developed, we ensure consistent validation across diverse formulations without heuristic judgments. Results show that our evaluation framework is more aligned with human experts' scoring. Experiments on state-of-the-art LLMs reveal persistent reasoning failures in physics, while step-level scoring offers both diagnostic insight and rich signals for later training. By combining structural rigor, theoretical guarantees, and symbolic validation, PRISM-Physics provides a principled foundation for advancing process-level evaluation and guiding the development of models with deeper scientific reasoning capabilities.
Authors: Wenhao Deng, Long Wei, Chenglei Yu, Tailin Wu
Abstract: Reinforcement learning with verifiable rewards (RLVR) has recently enhanced the reasoning capabilities of large language models (LLMs), particularly for mathematical problem solving. However, a fundamental limitation remains: as the sampling budget increases, the advantage of RLVR-trained models over their pretrained bases often diminishes or even vanishes, revealing a strong dependence on the base model's restricted search space. We attribute this phenomenon to the widespread use of the reverse Kullback-Leibler (KL) divergence regularizer, whose mode-seeking behavior keeps the policy trapped inside the base model's support region and hampers wider exploration. To address this issue, we propose RAPO (Rewards-Aware Policy Optimization), an algorithm to promote broader yet focused exploration. Our method (i) utilizes the forward KL penalty to replace the reverse KL penalty for out-of-distribution exploration, and (ii) reweights the reference policy to facilitate adaptive in-distribution exploration. We train Qwen2.5-3B and 7B models with RAPO on the 8K SimpleRL-Zero dataset, without supervised fine-tuning, and evaluate them on AIME2024 and AIME2025. Results show that RAPO consistently improves problem-solving performance. Notably, RAPO enables models to surpass the base model's performance ceiling and solves previously intractable problems, advancing the frontier of RLVR for challenging reasoning tasks.
Authors: Satoshi Hayakawa, Yuhta Takida, Masaaki Imaizumi, Hiromi Wakaki, Yuki Mitsufuji
Abstract: Masked diffusion models have shown promising performance in generating high-quality samples in a wide range of domains, but accelerating their sampling process remains relatively underexplored. To investigate efficient samplers for masked diffusion, this paper theoretically analyzes the MaskGIT sampler for image modeling, revealing its implicit temperature sampling mechanism. Through this analysis, we introduce the "moment sampler," an asymptotically equivalent but more tractable and interpretable alternative to MaskGIT, which employs a "choose-then-sample" approach by selecting unmasking positions before sampling tokens. In addition, we improve the efficiency of choose-then-sample algorithms through two key innovations: a partial caching technique for transformers that approximates longer sampling trajectories without proportional computational cost, and a hybrid approach formalizing the exploration-exploitation trade-off in adaptive unmasking. Experiments in image and text domains demonstrate our theory as well as the efficiency of our proposed methods, advancing both theoretical understanding and practical implementation of masked diffusion samplers.
Authors: Kangjia Yan, Chenxi Liu, Hao Miao, Xinle Wu, Yan Zhao, Chenjuan Guo, Bin Yang
Abstract: The proliferation of mobile devices generates a massive volume of time series across various domains, where effective time series forecasting enables a variety of real-world applications. This study focuses on a new problem of source-free domain adaptation for time series forecasting. It aims to adapt a pretrained model from sufficient source time series to the sparse target time series domain without access to the source data, embracing data protection regulations. To achieve this, we propose TimePD, the first source-free time series forecasting framework with proxy denoising, where large language models (LLMs) are employed to benefit from their generalization capabilities. Specifically, TimePD consists of three key components: (1) dual-branch invariant disentangled feature learning that enforces representation- and gradient-wise invariance by means of season-trend decomposition; (2) lightweight, parameter-free proxy denoising that dynamically calibrates systematic biases of LLMs; and (3) knowledge distillation that bidirectionally aligns the denoised prediction and the original target prediction. Extensive experiments on real-world datasets offer insight into the effectiveness of the proposed TimePD, outperforming SOTA baselines by 9.3% on average.
Authors: ChengAo Shen, Ziming Zhao, Hanghang Tong, Dongjin Song, Dongsheng Luo, Qingsong Wen, Jingchao Ni
Abstract: Time series AI is crucial for analyzing dynamic web content, driving a surge of pre-trained large models known for their strong knowledge encoding and transfer capabilities across diverse tasks. However, given their energy-intensive training, inference, and hardware demands, using large models as a one-fits-all solution raises serious concerns about carbon footprint and sustainability. For a specific task, a compact yet specialized, high-performing model may be more practical and affordable, especially for resource-constrained users such as small businesses. This motivates the question: Can we build cost-effective lightweight models with large-model-like performance on core tasks such as forecasting? This paper addresses this question by introducing SVTime, a novel Small model inspired by large Vision model (LVM) forecasters for long-term Time series forecasting (LTSF). Recently, LVMs have been shown as powerful tools for LTSF. We identify a set of key inductive biases of LVM forecasters -- analogous to the "physics" governing their behaviors in LTSF -- and design small models that encode these biases through meticulously crafted linear layers and constraint functions. Across 21 baselines spanning lightweight, complex, and pre-trained large models on 8 benchmark datasets, SVTime outperforms state-of-the-art (SOTA) lightweight models and rivals large models with 10^3 fewer parameters than LVMs, while enabling efficient training and inference in low-resource settings.
Authors: Lina Alkarmi, Ziyuan Huang, Mingyan Liu
Abstract: Algorithmic decision making is increasingly prevalent, but often vulnerable to strategic manipulation by agents seeking a favorable outcome. Prior research has shown that classifier abstention (allowing a classifier to decline making a decision due to insufficient confidence) can significantly increase classifier accuracy. This paper studies abstention within a strategic classification context, exploring how its introduction impacts strategic agents' responses and how principals should optimally leverage it. We model this interaction as a Stackelberg game where a principal, acting as the classifier, first announces its decision policy, and then strategic agents, acting as followers, manipulate their features to receive a desired outcome. Here, we focus on binary classifiers where agents manipulate observable features rather than their true features, and show that optimal abstention ensures that the principal's utility (or loss) is no worse than in a non-abstention setting, even in the presence of strategic agents. We also show that beyond improving accuracy, abstention can also serve as a deterrent to manipulation, making it costlier for agents, especially those less qualified, to manipulate to achieve a positive outcome when manipulation costs are significant enough to affect agent behavior. These results highlight abstention as a valuable tool for reducing the negative effects of strategic behavior in algorithmic decision making systems.
Authors: Shruti Sarika Chakraborty, Peter Minary
Abstract: Graph Transformers (GTs) have emerged as powerful architectures for graph-structured data, yet remain constrained by rigid designs and lack quantifiable interpretability. Current state-of-the-art GTs commit to fixed GNN types across all layers, missing potential benefits of depth-specific component selection, while their complex architectures become opaque where performance gains cannot be distinguished between meaningful patterns and spurious correlations. We redesign GT attention through asymmetry, decoupling structural encoding from feature representation: queries derive from node features while keys and values come from GNN transformations. Within this framework, we use Differentiable ARchiTecture Search (DARTS) to select optimal GNN operators at each layer, enabling depth-wise heterogeneity inside transformer attention itself (DARTS-GT). To understand discovered architectures, we develop the first quantitative interpretability framework for GTs through causal ablation. Our metrics (Head-deviation, Specialization, and Focus), identify which heads and nodes drive predictions while enabling model comparison. Experiments across eight benchmarks show DARTS-GT achieves state-of-the-art on four datasets while remaining competitive on others, with discovered architectures revealing dataset-specific patterns. Our interpretability analysis reveals that visual attention salience and causal importance do not always correlate, indicating widely used visualization approaches may miss components that actually matter. Crucially, heterogeneous architectures found by DARTS-GT consistently produced more interpretable models than baselines, establishing that Graph Transformers need not choose between performance and interpretability.
Authors: Marco Barbero-Mota, Eric V. Strobl, John M. Still, William W. Stead, Thomas A. Lasko
Abstract: We provide an accessible description of a peer-reviewed generalizable causal machine learning pipeline to (i) discover latent causal sources of large-scale electronic health records observations, and (ii) quantify the source causal effects on clinical outcomes. We illustrate how imperfect multimodal clinical data can be processed, decomposed into probabilistic independent latent sources, and used to train taskspecific causal models from which individual causal effects can be estimated. We summarize the findings of the two real-world applications of the approach to date as a demonstration of its versatility and utility for medical discovery at scale.
Authors: Jiyan Qiu, Lyulin Kuang, Guan Wang, Yichen Xu, Leiyao Cui, Shaotong Fu, Yixin Zhu, Ruihua Zhang
Abstract: Vehicle aerodynamics optimization has become critical for automotive electrification, where drag reduction directly determines electric vehicle range and energy efficiency. Traditional approaches face an intractable trade-off: computationally expensive Computational Fluid Dynamics (CFD) simulations requiring weeks per design iteration, or simplified models that sacrifice production-grade accuracy. While machine learning offers transformative potential, existing datasets exhibit fundamental limitations -- inadequate mesh resolution, missing vehicle components, and validation errors exceeding 5% -- preventing deployment in industrial workflows. We present DrivAerStar, comprising 12,000 industrial-grade automotive CFD simulations generated using STAR-CCM+${}^\unicode{xAE}$ software. The dataset systematically explores three vehicle configurations through 20 Computer Aided Design (CAD) parameters via Free Form Deformation (FFD) algorithms, including complete engine compartments and cooling systems with realistic internal airflow. DrivAerStar achieves wind tunnel validation accuracy below 1.04% -- a five-fold improvement over existing datasets -- through refined mesh strategies with strict wall $y^+$ control. Benchmarks demonstrate that models trained on this data achieve production-ready accuracy while reducing computational costs from weeks to minutes. This represents the first dataset bridging academic machine learning research and industrial CFD practice, establishing a new standard for data-driven aerodynamic optimization in automotive development. Beyond automotive applications, DrivAerStar demonstrates a paradigm for integrating high-fidelity physics simulations with Artificial Intelligence (AI) across engineering disciplines where computational constraints currently limit innovation.
Authors: Giacomo Camposampiero, Michael Hersche, Roger Wattenhofer, Abu Sebastian, Abbas Rahimi
Abstract: We introduce I-RAVEN-X, a symbolic benchmark designed to evaluate generalization and robustness in analogical and mathematical reasoning for Large Language Models (LLMs) and Large Reasoning Models (LRMs). I-RAVEN-X extends I-RAVEN by increasing operand complexity, attribute range, and introducing perceptual uncertainty. Compared to LLMs, empirical results show that LRMs achieve improved productivity and systematicity on longer reasoning relations and wider attribute ranges, respectively. However, LRMs are still significantly challenged by reasoning under uncertainty and cannot effectively explore multiple probabilistic outcomes.
Authors: Lei Liu, Zhenxin Huang, Hong Wang, huanshuo dong, Haiyang Xin, Hongwei Zhao, Bin Li
Abstract: Data-driven deep learning methods like neural operators have advanced in solving nonlinear temporal partial differential equations (PDEs). However, these methods require large quantities of solution pairs\u2014the solution functions and right-hand sides (RHS) of the equations. These pairs are typically generated via traditional numerical methods, which need thousands of time steps iterations far more than the dozens required for training, creating heavy computational and temporal overheads. To address these challenges, we propose a novel data generation algorithm, called HOmologous Perturbation in Solution Space (HOPSS), which directly generates training datasets with fewer time steps rather than following the traditional approach of generating large time steps datasets. This algorithm simultaneously accelerates dataset generation and preserves the approximate precision required for model training. Specifically, we first obtain a set of base solution functions from a reliable solver, usually with thousands of time steps, and then align them in time steps with training datasets by downsampling. Subsequently, we propose a "homologous perturbation" approach: by combining two solution functions (one as the primary function, the other as a homologous perturbation term scaled by a small scalar) with random noise, we efficiently generate comparable-precision PDE data points. Finally, using these data points, we compute the variation in the original equation's RHS to form new solution pairs. Theoretical and experimental results show HOPSS lowers time complexity. For example, on the Navier-Stokes equation, it generates 10,000 samples in approximately 10% of traditional methods' time, with comparable model training performance.
Authors: Edward Berman, Jacob Ginesin, Marco Pacini, Robin Walters
Abstract: Data-sparse settings such as robotic manipulation, molecular physics, and galaxy morphology classification are some of the hardest domains for deep learning. For these problems, equivariant networks can help improve modeling across undersampled parts of the input space, and uncertainty estimation can guard against overconfidence. However, until now, the relationships between equivariance and model confidence, and more generally equivariance and model calibration, has yet to be studied. Since traditional classification and regression error terms show up in the definitions of calibration error, it is natural to suspect that previous work can be used to help understand the relationship between equivariance and calibration error. In this work, we present a theory relating equivariance to uncertainty estimation. By proving lower and upper bounds on uncertainty calibration errors (ECE and ENCE) under various equivariance conditions, we elucidate the generalization limits of equivariant models and illustrate how symmetry mismatch can result in miscalibration in both classification and regression. We complement our theoretical framework with numerical experiments that clarify the relationship between equivariance and uncertainty using a variety of real and simulated datasets, and we comment on trends with symmetry mismatch, group size, and aleatoric and epistemic uncertainties.
Authors: Amin Omidvar
Abstract: The choice of activation function plays a critical role in neural networks, yet most architectures still rely on fixed, uniform activation functions across all neurons. We introduce SmartMixed, a two-phase training strategy that allows networks to learn optimal per-neuron activation functions while preserving computational efficiency at inference. In the first phase, neurons adaptively select from a pool of candidate activation functions (ReLU, Sigmoid, Tanh, Leaky ReLU, ELU, SELU) using a differentiable hard-mixture mechanism. In the second phase, each neuron's activation function is fixed according to the learned selection, resulting in a computationally efficient network that supports continued training with optimized vectorized operations. We evaluate SmartMixed on the MNIST dataset using feedforward neural networks of varying depths. The analysis shows that neurons in different layers exhibit distinct preferences for activation functions, providing insights into the functional diversity within neural architectures.
Authors: Judah Goldfeder, Matthew So, Hod Lipson
Abstract: Auxiliary Learning (AL) is a form of multi-task learning in which a model trains on auxiliary tasks to boost performance on a primary objective. While AL has improved generalization across domains such as navigation, image classification, and NLP, it often depends on human-labeled auxiliary tasks that are costly to design and require domain expertise. Meta-learning approaches mitigate this by learning to generate auxiliary tasks, but typically rely on gradient based bi-level optimization, adding substantial computational and implementation overhead. We propose RL-AUX, a reinforcement-learning (RL) framework that dynamically creates auxiliary tasks by assigning auxiliary labels to each training example, rewarding the agent whenever its selections improve the performance on the primary task. We also explore learning per-example weights for the auxiliary loss. On CIFAR-100 grouped into 20 superclasses, our RL method outperforms human-labeled auxiliary tasks and matches the performance of a prominent bi-level optimization baseline. We present similarly strong results on other classification datasets. These results suggest RL is a viable path to generating effective auxiliary tasks.
Authors: Paul Schwerdtner, Jules Berman, Benjamin Peherstorfer
Abstract: Deep neural networks using state space models as layers are well suited for long-range sequence tasks but can be challenging to compress after training. We use that regularizing the sum of Hankel singular values of state space models leads to a fast decay of these singular values and thus to compressible models. To make the proposed Hankel singular value regularization scalable, we develop an algorithm to efficiently compute the Hankel singular values during training iterations by exploiting the specific block-diagonal structure of the system matrices that we use in our state space model parametrization. Experiments on Long Range Arena benchmarks demonstrate that the regularized state space layers are up to 10$\times$ more compressible than standard state space layers while maintaining high accuracy.
Authors: Hyunseung Kim (LG AI Research, Republic of Korea), Dae-Woong Jeong (LG AI Research, Republic of Korea), Changyoung Park (LG AI Research, Republic of Korea), Won-Ji Lee (Kyonggi University, Republic of Korea), Ha-Eun Lee (Kyonggi University, Republic of Korea), Ji-Hye Lee (Kyonggi University, Republic of Korea), Rodrigo Hormazabal (LG AI Research, Republic of Korea), Sung Moon Ko (LG AI Research, Republic of Korea), Sumin Lee (LG AI Research, Republic of Korea), Soorin Yim (LG AI Research, Republic of Korea), Chanhui Lee (LG AI Research, Republic of Korea), Sehui Han (LG AI Research, Republic of Korea), Sang-Ho Cha (Kyonggi University, Republic of Korea), Woohyung Lim (LG AI Research, Republic of Korea)
Abstract: Artificial intelligence (AI) has emerged as a powerful accelerator of materials discovery, yet most existing models remain problem-specific, requiring additional data collection and retraining for each new property. Here we introduce and validate GATE (Geometrically Aligned Transfer Encoder) -- a generalizable AI framework that jointly learns 34 physicochemical properties spanning thermal, electrical, mechanical, and optical domains. By aligning these properties within a shared geometric space, GATE captures cross-property correlations that reduce disjoint-property bias -- a key factor causing false positives in multi-criteria screening. To demonstrate its generalizable utility, GATE -- without any problem-specific model reconfiguration -- applied to the discovery of immersion cooling fluids for data centers, a stringent real-world challenge defined by the Open Compute Project (OCP). Screening billions of candidates, GATE identified 92,861 molecules as promising for practical deployment. Four were experimentally or literarily validated, showing strong agreement with wet-lab measurements and performance comparable to or exceeding a commercial coolant. These results establish GATE as a generalizable AI platform readily applicable across diverse materials discovery tasks.
Authors: Junho Choi, Teng-Yuan Chang, Namjung Kim, Youngjoon Hong
Abstract: Ensemble simulations of high-dimensional flow models (e.g., Navier Stokes type PDEs) are computationally prohibitive for real time applications. Neural operators enable fast inference but are limited by costly data requirements and poor generalization to 3D flows. We present a data-free operator network for the Navier Stokes equations that eliminates the need for paired solution data and enables robust, real time inference for large ensemble forecasting. The physics-grounded architecture takes initial and boundary conditions as well as forcing functions, yielding solutions robust to high variability and perturbations. Across 2D benchmarks and 3D test cases, the method surpasses prior neural operators in accuracy and, for ensembles, achieves greater efficiency than conventional numerical solvers. Notably, it delivers accurate solutions of the three dimensional Navier Stokes equations, a regime not previously demonstrated for data free neural operators. By uniting a numerically grounded architecture with the scalability of machine learning, this approach establishes a practical pathway toward data free, high fidelity PDE surrogates for end to end scientific simulation and prediction.
Authors: Xuchen Feng, Siyu Liao
Abstract: Normalizing flows are deep generative models that enable efficient likelihood estimation and sampling through invertible transformations. A key challenge is to design linear layers that enhance expressiveness while maintaining efficient computation of the Jacobian determinant and inverse. We introduce a novel invertible linear layer based on the product of circulant and diagonal matrices. This decomposition reduces parameter complexity from $\mathcal{O}(n^2)$ to $\mathcal{O}(mn)$ using $m$ diagonal matrices and $m-1$ circulant matrices while still approximating general linear transformations. By leveraging the Fast Fourier Transform, our approach reduces the time complexity of matrix inversion from $\mathcal{O}(n^3)$ to $\mathcal{O}(mn\log n)$ and that of computing the log-determinant from $\mathcal{O}(n^3)$ to $\mathcal{O}(mn)$, where $n$ is the input dimension. We build upon this layer to develop Circulant-Diagonal Flow (CDFlow), which achieves strong density estimation on natural image datasets and effectively models data with inherent periodic structure. Furthermore, CDFlow significantly accelerates key operations in normalizing flows, providing practical benefits for scalable generative modeling.
Authors: Vladyslav Moroshan, Julien Siems, Arber Zela, Timur Carstensen, Frank Hutter
Abstract: Foundation models for zero-shot time series forecasting face challenges in efficient long-horizon prediction and reproducibility, with existing synthetic-only approaches underperforming on challenging benchmarks. This paper presents TempoPFN, a univariate time series foundation model based on linear Recurrent Neural Networks (RNNs) pre-trained exclusively on synthetic data. The model uses a GatedDeltaProduct architecture with state-weaving for fully parallelizable training across sequence lengths, eliminating the need for windowing or summarization techniques while maintaining robust temporal state-tracking. Our comprehensive synthetic data pipeline unifies diverse generators, including stochastic differential equations, Gaussian processes, and audio synthesis, with novel augmentations. In zero-shot evaluations on the Gift-Eval benchmark, TempoPFN achieves top-tier competitive performance, outperforming all existing synthetic-only approaches and surpassing the vast majority of models trained on real-world data, while being more efficient than existing baselines by leveraging fully parallelizable training and inference. We open-source our complete data generation pipeline and training code, providing a reproducible foundation for future research.
Authors: Hong Wang, Haiyang Xin, Jie Wang, Xuanze Yang, Fei Zha, Huanshuo Dong, Yan Jiang
Abstract: Pre-training has proven effective in addressing data scarcity and performance limitations in solving PDE problems with neural operators. However, challenges remain due to the heterogeneity of PDE datasets in equation types, which leads to high errors in mixed training. Additionally, dense pre-training models that scale parameters by increasing network width or depth incur significant inference costs. To tackle these challenges, we propose a novel Mixture-of-Experts Pre-training Operator Transformer (MoE-POT), a sparse-activated architecture that scales parameters efficiently while controlling inference costs. Specifically, our model adopts a layer-wise router-gating network to dynamically select 4 routed experts from 16 expert networks during inference, enabling the model to focus on equation-specific features. Meanwhile, we also integrate 2 shared experts, aiming to capture common properties of PDE and reduce redundancy among routed experts. The final output is computed as the weighted average of the results from all activated experts. We pre-train models with parameters from 30M to 0.5B on 6 public PDE datasets. Our model with 90M activated parameters achieves up to a 40% reduction in zero-shot error compared with existing models with 120M activated parameters. Additionally, we conduct interpretability analysis, showing that dataset types can be inferred from router-gating network decisions, which validates the rationality and effectiveness of the MoE architecture.
Authors: Jingyuan Liu, Fatemeh Ghaffari, Xuchuang Wang, Xutong Liu, Mohammad Hajiesmaili, Carlee Joe-Wong
Abstract: Preference learning from pairwise feedback is a widely adopted framework in applications such as reinforcement learning with human feedback and recommendations. In many practical settings, however, user interactions are limited or costly, making offline preference learning necessary. Moreover, real-world preference learning often involves users with different preferences. For example, annotators from different backgrounds may rank the same responses differently. This setting presents two central challenges: (1) identifying similarity across users to effectively aggregate data, especially under scenarios where offline data is imbalanced across dimensions, and (2) handling the imbalanced offline data where some preference dimensions are underrepresented. To address these challenges, we study the Offline Clustering of Preference Learning problem, where the learner has access to fixed datasets from multiple users with potentially different preferences and aims to maximize utility for a test user. To tackle the first challenge, we first propose Off-C$^2$PL for the pure offline setting, where the learner relies solely on offline data. Our theoretical analysis provides a suboptimality bound that explicitly captures the tradeoff between sample noise and bias. To address the second challenge of inbalanced data, we extend our framework to the setting with active-data augmentation where the learner is allowed to select a limited number of additional active-data for the test user based on the cluster structure learned by Off-C$^2$PL. In this setting, our second algorithm, A$^2$-Off-C$^2$PL, actively selects samples that target the least-informative dimensions of the test user's preference. We prove that these actively collected samples contribute more effectively than offline ones. Finally, we validate our theoretical results through simulations on synthetic and real-world datasets.
Authors: Lin Xu, Xinyun Yuan, Yuxuan Liang, Suwan Yin, Yuankai Wu
Abstract: We introduce Aeolus, a large-scale Multi-modal Flight Delay Dataset designed to advance research on flight delay prediction and support the development of foundation models for tabular data. Existing datasets in this domain are typically limited to flat tabular structures and fail to capture the spatiotemporal dynamics inherent in delay propagation. Aeolus addresses this limitation by providing three aligned modalities: (i) a tabular dataset with rich operational, meteorological, and airportlevel features for over 50 million flights; (ii) a flight chain module that models delay propagation along sequential flight legs, capturing upstream and downstream dependencies; and (iii) a flight network graph that encodes shared aircraft, crew, and airport resource connections, enabling cross-flight relational reasoning. The dataset is carefully constructed with temporal splits, comprehensive features, and strict leakage prevention to support realistic and reproducible machine learning evaluation. Aeolus supports a broad range of tasks, including regression, classification, temporal structure modeling, and graph learning, serving as a unified benchmark across tabular, sequential, and graph modalities. We release baseline experiments and preprocessing tools to facilitate adoption. Aeolus fills a key gap for both domain-specific modeling and general-purpose structured data research.Our source code and data can be accessed at https://github.com/Flnny/Delay-data
Authors: Chuyan Chen, Chenyang Ma, Zhangxin Li, Yutong He, Yanjie Dong, Kun Yuan
Abstract: Communication remains a central bottleneck in large-scale distributed machine learning, and gradient sparsification has emerged as a promising strategy to alleviate this challenge. However, existing gradient compressors face notable limitations: Rand-$K$ discards structural information and performs poorly in practice, while Top-$K$ preserves informative entries but loses the contraction property and requires costly All-Gather operations. In this paper, we propose ARC-Top-$K$, an {All-Reduce}-Compatible Top-$K$ compressor that aligns sparsity patterns across nodes using a lightweight sketch of the gradient, enabling index-free All-Reduce while preserving globally significant information. ARC-Top-$K$ is provably contractive and, when combined with momentum error feedback (EF21M), achieves linear speedup and sharper convergence rates than the original EF21M under standard assumptions. Empirically, ARC-Top-$K$ matches the accuracy of Top-$K$ while reducing wall-clock training time by up to 60.7\%, offering an efficient and scalable solution that combines the robustness of Rand-$K$ with the strong performance of Top-$K$.
Authors: Jamie Lanyon, Axel Finke, Petros Andreou, Georgina Cosma
Abstract: Machine unlearning (MU) aims to remove the influence of certain data points from a trained model without costly retraining. Most practical MU algorithms are only approximate and their performance can only be assessed empirically. Care must therefore be taken to make empirical comparisons as representative as possible. A common practice is to run the MU algorithm multiple times independently starting from the same trained model. In this work, we demonstrate that this practice can give highly non-representative results because -- even for the same architecture and same dataset -- some MU methods can be highly sensitive to the choice of random number seed used for model training. We therefore recommend that empirical comparisons of MU algorithms should also reflect the variability across different model training seeds.
Authors: Muhammad Faraz Ul Abrar, Nicol\`o Michelusi
Abstract: Over-the-air (OTA) federated learning (FL) has been well recognized as a scalable paradigm that exploits the waveform superposition of the wireless multiple-access channel to aggregate model updates in a single use. Existing OTA-FL designs largely enforce zero-bias model updates by either assuming \emph{homogeneous} wireless conditions (equal path loss across devices) or forcing zero-bias updates to guarantee convergence. Under \emph{heterogeneous} wireless scenarios, however, such designs are constrained by the weakest device and inflate the update variance. Moreover, prior analyses of biased OTA-FL largely address convex objectives, while most modern AI models are highly non-convex. Motivated by these gaps, we study OTA-FL with stochastic gradient descent (SGD) for general smooth non-convex objectives under wireless heterogeneity. We develop novel OTA-FL SGD updates that allow a structured, time-invariant model bias while facilitating reduced variance updates. We derive a finite-time stationarity bound (expected time average squared gradient norm) that explicitly reveals a bias-variance trade-off. To optimize this trade-off, we pose a non-convex joint OTA power-control design and develop an efficient successive convex approximation (SCA) algorithm that requires only statistical CSI at the base station. Experiments on a non-convex image classification task validate the approach: the SCA-based design accelerates convergence via an optimized bias and improves generalization over prior OTA-FL baselines.
Authors: Jungyeon Koh, Hyeonsu Lyu, Jonggyu Jang, Hyun Jong Yang
Abstract: How can we explain the influence of training data on black-box models? Influence functions (IFs) offer a post-hoc solution by utilizing gradients and Hessians. However, computing the Hessian for an entire dataset is resource-intensive, necessitating a feasible alternative. A common approach involves randomly sampling a small subset of the training data, but this method often results in highly inconsistent IF estimates due to the high variance in sample configurations. To address this, we propose two advanced sampling techniques based on features and logits. These samplers select a small yet representative subset of the entire dataset by considering the stochastic distribution of features or logits, thereby enhancing the accuracy of IF estimations. We validate our approach through class removal experiments, a typical application of IFs, using the F1-score to measure how effectively the model forgets the removed class while maintaining inference consistency on the remaining classes. Our method reduces computation time by 30.1% and memory usage by 42.2%, or improves the F1-score by 2.5% compared to the baseline.
Authors: Soham Jana, Kun Yang, Sanjeev Kulkarni
Abstract: We consider the problem of clustering data points coming from sub-Gaussian mixtures. Existing methods that provably achieve the optimal mislabeling error, such as the Lloyd algorithm, are usually vulnerable to outliers. In contrast, clustering methods seemingly robust to adversarial perturbations are not known to satisfy the optimal statistical guarantees. We propose a simple robust algorithm based on the coordinatewise median that obtains the optimal mislabeling rate even when we allow adversarial outliers to be present. Our algorithm achieves the optimal error rate in constant iterations when a weak initialization condition is satisfied. In the absence of outliers, in fixed dimensions, our theoretical guarantees are similar to that of the Lloyd algorithm. Extensive experiments on various simulated and public datasets are conducted to support the theoretical guarantees of our method.
Authors: Eleftherios Triantafyllidis, Fernando Acero, Zhaocheng Liu, Zhibin Li
Abstract: Solving long sequential tasks poses a significant challenge in embodied artificial intelligence. Enabling a robotic system to perform diverse sequential tasks with a broad range of manipulation skills is an active area of research. In this work, we present a Hybrid Hierarchical Learning framework, the Robotic Manipulation Network (ROMAN), to address the challenge of solving multiple complex tasks over long time horizons in robotic manipulation. ROMAN achieves task versatility and robust failure recovery by integrating behavioural cloning, imitation learning, and reinforcement learning. It consists of a central manipulation network that coordinates an ensemble of various neural networks, each specialising in distinct re-combinable sub-tasks to generate their correct in-sequence actions for solving complex long-horizon manipulation tasks. Experimental results show that by orchestrating and activating these specialised manipulation experts, ROMAN generates correct sequential activations for accomplishing long sequences of sophisticated manipulation tasks and achieving adaptive behaviours beyond demonstrations, while exhibiting robustness to various sensory noises. These results demonstrate the significance and versatility of ROMAN's dynamic adaptability featuring autonomous failure recovery capabilities, and highlight its potential for various autonomous manipulation tasks that demand adaptive motor skills.
Authors: Dongdong Li, Zhongliang Zeng, Zhe Wang, Hai Yang
Abstract: Towards practical applications of Electroencephalography (EEG), lightweight acquisition devices garner significant attention. However, EEG channel selection methods are commonly data-sensitive and cannot establish a unified sound paradigm for EEG acquisition devices. Through reverse conceptualisation, we formulated EEG applications in an EEG super-resolution (SR) manner, but suffered from high computation costs, extra interpolation bias, and few insights into spatiotemporal dependency modelling. To this end, we propose ESTformer, an EEG SR framework that utilises spatiotemporal dependencies based on the transformer. ESTformer applies positional encoding methods and a multihead self-attention mechanism to the space and time dimensions, which can learn spatial structural correlations and temporal functional variations. ESTformer, with the fixed mask strategy, adopts a mask token to upsample low-resolution (LR) EEG data in the case of disturbance from mathematical interpolation methods. On this basis, we designed various transformer blocks to construct a spatial interpolation module (SIM) and a temporal reconstruction module (TRM). Finally, ESTformer cascades the SIM and TRM to capture and model the spatiotemporal dependencies for EEG SR with fidelity. Extensive experimental results on two EEG datasets show the effectiveness of ESTformer against previous state-of-the-art methods, demonstrating the versatility of the Transformer for EEG SR tasks. The superiority of the SR data was verified in an EEG-based person identification and emotion recognition task, achieving a 2% to 38% improvement compared with the LR data at different sampling scales.
Authors: Sabee Grewal, Vishnu Iyer, William Kretschmer, Daniel Liang
Abstract: We define a quantum learning task called agnostic tomography, where given copies of an arbitrary state $\rho$ and a class of quantum states $\mathcal{C}$, the goal is to output a succinct description of a state that approximates $\rho$ at least as well as any state in $\mathcal{C}$ (up to some small error $\varepsilon$). This task generalizes ordinary quantum tomography of states in $\mathcal{C}$ and is more challenging because the learning algorithm must be robust to perturbations of $\rho$. We give an efficient agnostic tomography algorithm for the class $\mathcal{C}$ of $n$-qubit stabilizer product states. Assuming $\rho$ has fidelity at least $\tau$ with a stabilizer product state, the algorithm runs in time $n^{O(1 + \log(1/\tau))} / \varepsilon^2$. This runtime is quasipolynomial in all parameters, and polynomial if $\tau$ is a constant.
Authors: Nicolas Hoischen, Petar Bevanda, Stefan Sosnowski, Sandra Hirche, Boris Houska
Abstract: This paper proposes a fully data-driven approach for optimal control of nonlinear control-affine systems represented by a stochastic diffusion. The focus is on the scenario where both the nonlinear dynamics and stage cost functions are unknown, while only a control penalty function and constraints are provided. To this end, we embed state probability densities into a reproducing kernel Hilbert space (RKHS) to leverage recent advances in operator regression, thereby identifying Markov transition operators associated with controlled diffusion processes. This operator learning approach integrates naturally with convex operator-theoretic Hamilton-Jacobi-Bellman recursions that scale linearly with state dimensionality, effectively solving a wide range of nonlinear optimal control problems. Numerical results demonstrate its ability to address diverse nonlinear control tasks, including the depth regulation of an autonomous underwater vehicle.
Authors: Elisa Nguyen, Johannes Bertram, Evgenii Kortukov, Jean Y. Song, Seong Joon Oh
Abstract: Explainable AI (XAI) aims to make AI systems more transparent, yet many practices emphasise mathematical rigour over practical user needs. We propose an alternative to this model-centric approach by following a design thinking process for the emerging XAI field of training data attribution (TDA), which risks repeating solutionist patterns seen in other subfields. However, because TDA is in its early stages, there is a valuable opportunity to shape its direction through user-centred practices. We engage directly with machine learning developers via a needfinding interview study (N=6) and a scenario-based interactive user study (N=31) to ground explanations in real workflows. Our exploration of the TDA design space reveals novel tasks for data-centric explanations useful to developers, such as grouping training samples behind specific model behaviours or identifying undersampled data. We invite the TDA, XAI, and HCI communities to engage with these tasks to strengthen their research's practical relevance and human impact.
Authors: Fenia Christopoulou, Ronald Cardenas, Gerasimos Lampouras, Haitham Bou-Ammar, Jun Wang
Abstract: Direct alignment algorithms have proven an effective step for aligning language models to human-desired behaviors. Current variants of the Direct Preference Optimization objective have focused on a strict setting where all tokens are contributing signals of KL divergence and rewards to the loss function. However, human preference is not affected equally by each word in a sequence but is often dependent on specific words or phrases, e.g. existence of toxic terms leads to non-preferred responses. Based on this observation, we argue that not all tokens should be weighted equally during PO and propose a flexible objective termed SparsePO, that aims to automatically learn to weight the KL divergence and reward corresponding to each token during PO training. We propose two different variants of weight-masks that can either be derived from the reference model itself or learned on the fly. Notably, our method induces sparsity in the learned masks, allowing the model to learn how to best balance reward and KL divergence contributions at the token level, learning an optimal level of mask sparsity. Extensive experiments illustrate the effectiveness of our approach at aligning to preference proxies, including sentiment control, helpfulness and harmlessness, and summary quality. Our method obtains +10% and +3% win rate points in summarization and dialogue scenarios, respectively, without compromising model reasoning or the relevancy and faithfulness of the summary response.
Authors: Mo Chen, Minsheng Hao, Xinquan Liu, Lin Deng, Chen Li, Dongfang Wang, Kui Hua, Xuegong Zhang, Lei Wei
Abstract: Cells in multicellular organisms coordinate to form functional and structural niches. With spatial transcriptomics enabling gene expression profiling in spatial contexts, it has been revealed that spatial niches serve as cohesive and recurrent units in physiological and pathological processes. These observations suggest universal tissue organization principles encoded by conserved niche patterns, and call for a query-based niche analytical paradigm beyond current computational tools. In this work, we defined the Niche Query Task, which is to identify similar niches across ST samples given a niche of interest (NOI). We further developed QueST, a specialized method for solving this task. QueST models each niche as a subgraph, uses contrastive learning to learn discriminative niche embeddings, and incorporates adversarial training to mitigate batch effects. In simulations and benchmark datasets, QueST outperformed existing methods repurposed for niche querying, accurately capturing niche structures in heterogeneous environments and demonstrating strong generalizability across diverse sequencing platforms. Applied to tertiary lymphoid structures in renal and lung cancers, QueST revealed functionally distinct niches associated with patient prognosis and uncovered conserved and divergent spatial architectures across cancer types. These results demonstrate that QueST enables systematic, quantitative profiling of spatial niches across samples, providing a powerful tool to dissect spatial tissue architecture in health and disease.
Authors: Nam V. Nguyen, Thong T. Doan, Luong Tran, Van Nguyen, Quang Pham
Abstract: Mixture of experts (MoE) architectures have become a cornerstone for scaling up and are a key component in most large language models such as GPT-OSS, DeepSeek-V3, Llama-4, and Gemini-2.5. However, systematic research on MoE remains severely constrained by the prohibitive computational costs of training and evaluation, restricting large-scale studies accessible to most researchers. We introduce LibMoE, a unified framework for reproducible, efficient, and extensible MoE research that supports both pretraining and sparse-upcycling regimes. Beyond unified implementations, the framework provides transparent analytical tools for probing routing and expert dynamics. Leveraging this foundation, we conduct a comprehensive analysis along three dimensions: (i) routing dynamics, covering expert selection patterns, routing stability and optimality, and how routing entropy reveals task specialization and expert diversity; (ii) the effect of lightweight initialization on load balancing, demonstrating how subtle changes in router initialization shape early expert utilization; and (iii) training regime differences, revealing how sparse upcycling and full pretraining exhibit distinct routing patterns and stability profiles. By lowering the barrier to entry and standardizing evaluation, along with our comprehensive analysis, LibMoE broadens access to MoE research and establishes a reliable benchmark to guide future innovations. Project page: https://fsoft-aic.github.io/fsoft-LibMoE.github.io.
Authors: Bhanu Tokas, Rahul Nair, Hannah Kerner
Abstract: Most ML datasets today contain biases. When we train models on these datasets, they often not only learn these biases but can worsen them -- a phenomenon known as bias amplification. Several co-occurrence-based metrics have been proposed to measure bias amplification in classification datasets. They measure bias amplification between a protected attribute (e.g., gender) and a task (e.g., cooking). These metrics also support fine-grained bias analysis by identifying the direction in which a model amplifies biases. However, co-occurrence-based metrics have limitations -- some fail to measure bias amplification in balanced datasets, while others fail to measure negative bias amplification. To solve these issues, recent work proposed a predictability-based metric called leakage amplification (LA). However, LA cannot identify the direction in which a model amplifies biases. We propose Directional Predictability Amplification (DPA), a predictability-based metric that is (1) directional, (2) works with balanced and unbalanced datasets, and (3) correctly identifies positive and negative bias amplification. DPA eliminates the need to evaluate models on multiple metrics to verify these three aspects. DPA also improves over prior predictability-based metrics like LA: it is less sensitive to the choice of attacker function (a hyperparameter in predictability-based metrics), reports scores within a bounded range, and accounts for dataset bias by measuring relative changes in predictability. Our experiments on well-known datasets like COMPAS (a tabular dataset), COCO, and ImSitu (image datasets) show that DPA is the most reliable metric to measure bias amplification in classification problems. To compare DPA with existing bias amplification metrics, we released a one-stop library of major bias amplification metrics at https://github.com/kerner-lab/Bias-Amplification.
Authors: Daniel Herrera-Esposito, Johannes Burge
Abstract: Supervised dimensionality reduction maps labeled data into a low-dimensional feature space while preserving class discriminability. A common approach is to maximize a statistical measure of dissimilarity between classes in the feature space. Information geometry provides an alternative framework for measuring class dissimilarity, with the potential for improved insights and novel applications. Information geometry, which is grounded in Riemannian geometry, uses the Fisher information metric, a local measure of discriminability that induces the Fisher-Rao distance. Here, we present Supervised Quadratic Feature Analysis (SQFA), a linear dimensionality reduction method that maximizes Fisher-Rao distances between class-conditional distributions, under Gaussian assumptions. We motivate the Fisher-Rao distance as a good proxy for discriminability. We show that SQFA features support good classification performance with Quadratic Discriminant Analysis (QDA) on three real-world datasets. SQFA provides a novel framework for supervised dimensionality reduction, motivating future research in applying information geometry to machine learning and neuroscience.
Authors: Yuhao Zhou, Jintao Xu, Bingrui Li, Chenglong Bao, Chao Ding, Jun Zhu
Abstract: Finding an $\epsilon$-stationary point of a nonconvex function with a Lipschitz continuous Hessian is a central problem in optimization. Regularized Newton methods are a classical tool and have been studied extensively, yet they still face a trade-off between global and local convergence. Whether a parameter-free algorithm of this type can simultaneously achieve optimal global complexity and quadratic local convergence remains an open question. To bridge this long-standing gap, we propose a new class of regularizers constructed from the current and previous gradients, and leverage the conjugate gradient approach with a negative curvature monitor to solve the regularized Newton equation. The proposed algorithm is adaptive, requiring no prior knowledge of the Hessian Lipschitz constant, and achieves a global complexity of $O(\epsilon^{-3/2})$ in terms of the second-order oracle calls, and $\tilde{O}(\epsilon^{-7/4})$ for Hessian-vector products, respectively. When the iterates converge to a point where the Hessian is positive definite, the method exhibits quadratic local convergence. Preliminary numerical results, including training the physics-informed neural networks, illustrate the competitiveness of our algorithm.
Authors: Nanyu Luo, Feng Ji
Abstract: Advances in deep learning and representation learning have transformed item factor analysis (IFA) in the item response theory (IRT) literature by enabling more efficient and accurate parameter estimation. Variational Autoencoders (VAEs) have been one of the most impactful techniques in modeling high-dimensional latent variables in this context. However, the limited expressiveness of the inference model based on traditional VAEs can still hinder the estimation performance. We introduce Adversarial Variational Bayes (AVB) algorithms as an improvement to VAEs for IFA with improved flexibility and accuracy. By bridging the strengths of VAEs and Generative Adversarial Networks (GANs), AVB incorporates an auxiliary discriminator network to reframe the estimation process as a two-player adversarial game and removes the restrictive assumption of standard normal distributions in the inference model. Theoretically, AVB can achieve similar or higher likelihood compared to VAEs. A further enhanced algorithm, Importance-weighted Adversarial Variational Bayes (IWAVB) is proposed and compared with Importance-weighted Autoencoders (IWAE). In an exploratory analysis of empirical data, IWAVB demonstrated superior expressiveness by achieving a higher likelihood compared to IWAE. In confirmatory analysis with simulated data, IWAVB achieved similar mean-square error results to IWAE while consistently achieving higher likelihoods. When latent variables followed a multimodal distribution, IWAVB outperformed IWAE. With its innovative use of GANs, IWAVB is shown to have the potential to extend IFA to handle large-scale data, facilitating the potential integration of psychometrics and multimodal data analysis.
Authors: Naci Saldi, Serdar Yuksel
Abstract: We introduce a novel topology, called Kernel Mean Embedding Topology, for stochastic kernels, in a weak and strong form. This topology, defined on the spaces of Bochner integrable functions from a signal space to a space of probability measures endowed with a Hilbert space structure, allows for a versatile formulation. This construction allows one to obtain both a strong and weak formulation. (i) For its weak formulation, we highlight the utility on relaxed policy spaces, and investigate connections with the Young narrow topology and Borkar (or \( w^* \))-topology, and establish equivalence properties. We report that, while both the \( w^* \)-topology and kernel mean embedding topology are relatively compact, they are not closed. Conversely, while the Young narrow topology is closed, it lacks relative compactness. (ii) We show that the strong form provides an appropriate formulation for placing topologies on spaces of models characterized by stochastic kernels with explicit robustness and learning theoretic implications on optimal stochastic control under discounted or average cost criteria. (iii) We thus show that this topology possesses several properties making it ideal to study optimality and approximations (under the weak formulation) and robustness (under the strong formulation) for many applications.
Authors: Sumei Fan, Deyun Zhang, Yue Wang, Shijia Geng, Kun Lu, Meng Sang, Weilun Xu, Haixue Wang, Qinghao Zhao, Chuandong Cheng, Peng Wang, Shenda Hong
Abstract: Accurate, continuous out-of-hospital electrocardiogram (ECG) parameter measurement is vital for real-time cardiac health monitoring and telemedicine. On-device computation of single-lead ECG parameters enables timely assessment without reliance on centralized data processing, advancing personalized, ubiquitous cardiac care-yet comprehensive validation across heterogeneous real-world populations remains limited. This study validated the on-device algorithm FeatureDB (https://github.com/PKUDigitalHealth/FeatureDB) using two datasets: HeartVoice-ECG-lite (369 participants with single-lead ECGs annotated by two physicians) and PTB-XL/PTB-XL+ (21,354 patients with 12-lead ECGs and physicians' diagnostic annotations). FeatureDB computed PR, QT, and QTc intervals, with accuracy evaluated against physician annotations via mean absolute error (MAE), correlation analysis, and Bland-Altman analysis. Diagnostic performance for first-degree atrioventricular block (AVBI, PR-based) and long QT syndrome (LQT, QTc-based) was benchmarked against commercial 12-lead systems (12SL, Uni-G) and open-source algorithm Deli, using AUC, accuracy, sensitivity, and specificity. Results showed high concordance with expert annotations (Pearson correlations: 0.836-0.960), MAEs matching inter-observer variability, and minimal bias. AVBI AUC reached 0.787 (12SL: 0.859; Uni-G: 0.812; Deli: 0.501); LQT AUC was 0.684 (12SL: 0.716; Uni-G: 0.605; Deli: 0.569)-comparable to commercial tools and superior to open-source alternatives. FeatureDB delivers physician-level parameter accuracy and commercial-grade abnormality detection via single-lead devices, supporting scalable telemedicine, decentralized cardiac screening, and continuous monitoring in community and outpatient settings.
Authors: Zhewei Kang, Xuandong Zhao, Dawn Song
Abstract: Best-of-N selection is a key technique for improving the reasoning performance of Large Language Models (LLMs) through increased test-time computation. Current state-of-the-art methods often employ computationally intensive reward models for response evaluation and selection. Reward-free alternatives, like self-consistency and universal self-consistency, are limited in their ability to handle open-ended generation tasks or scale effectively. To address these limitations, we propose self-certainty, a novel and efficient metric that leverages the inherent probability distribution of LLM outputs to estimate response quality without requiring external reward models. We hypothesize that higher distributional self-certainty, aggregated across multiple samples, correlates with improved response accuracy, as it reflects greater confidence in the generated output. Through extensive experiments on various reasoning tasks, we demonstrate that self-certainty (1) scales effectively with increasing sample size N, akin to reward models but without the computational overhead; (2) complements chain-of-thought, improving reasoning performance beyond greedy decoding; and (3) generalizes to open-ended tasks where traditional self-consistency methods fall short. Our findings establish self-certainty as a practical and efficient way for improving LLM reasoning capabilities. The code is available at https://github.com/backprop07/Self-Certainty
Authors: Rickard Karlsson, Bram van den Akker, Felipe Moraes, Hugo M. Proen\c{c}a, Jesse H. Krijthe
Abstract: Qini curves are a widely used tool for assessing treatment policies under allocation constraints as they visualize the incremental gain of a new treatment policy versus the cost of its implementation. Standard Qini curve estimation assumes no interference between units: that is, that treating one unit does not influence the outcome of any other unit. In many real-life applications such as public policy or marketing, however, the presence of interference is common. Ignoring interference in these scenarios can lead to systematically biased Qini curves that over- or under-estimate a treatment policy's cost-effectiveness. In this paper, we address the problem of Qini curve estimation under clustered network interference, where interfering units form independent clusters. We propose a formal description of the problem setting with an experimental study design under which we can account for clustered network interference. Within this framework, we describe three estimation strategies, each suited to different conditions, and provide guidance for selecting the most appropriate approach by highlighting the inherent bias-variance trade-offs. To complement our theoretical analysis, we introduce a marketplace simulator that replicates clustered network interference in a typical e-commerce environment, allowing us to evaluate and compare the proposed strategies in practice.
Authors: Belinda Z. Li, Zifan Carl Guo, Jacob Andreas
Abstract: Transformer language models (LMs) exhibit behaviors -- from storytelling to code generation -- that seem to require tracking the unobserved state of an evolving world. How do they do this? We study state tracking in LMs trained or fine-tuned to compose permutations (i.e., to compute the order of a set of objects after a sequence of swaps). Despite the simple algebraic structure of this problem, many other tasks (e.g., simulation of finite automata and evaluation of boolean expressions) can be reduced to permutation composition, making it a natural model for state tracking in general. We show that LMs consistently learn one of two state tracking mechanisms for this task. The first closely resembles the "associative scan" construction used in recent theoretical work by Liu et al. (2023) and Merrill et al. (2024). The second uses an easy-to-compute feature (permutation parity) to partially prune the space of outputs, and then refines this with an associative scan. LMs that learn the former algorithm tend to generalize better and converge faster, and we show how to steer LMs toward one or the other with intermediate training tasks that encourage or suppress the heuristics. Our results demonstrate that transformer LMs, whether pre-trained or fine-tuned, can learn to implement efficient and interpretable state-tracking mechanisms, and the emergence of these mechanisms can be predicted and controlled.
Authors: Anna Kuchko
Abstract: We consider the Inverse Optimal Stopping (IOS) problem where, based on stopped expert trajectories, one aims to recover the optimal stopping region through the continuation and stopping gain functions approximation. The uniqueness of the stopping region allows the use of IOS in real-world applications with safety concerns. Although current state-of-the-art inverse reinforcement learning methods recover both a Q-function and the corresponding optimal policy, they fail to account for specific challenges posed by optimal stopping problems. These include data sparsity near the stopping region, the non-Markovian nature of the continuation gain, a proper treatment of boundary conditions, the need for a stable offline approach for risk-sensitive applications, and a lack of a quality evaluation metric. These challenges are addressed with the proposed Dynamics-Aware Offline Inverse Q-Learning for Optimal Stopping (DO-IQS), which incorporates temporal information by approximating the cumulative continuation gain together with the world dynamics and the Q-function without querying to the environment. In addition, a confidence-based oversampling approach is proposed to treat the data sparsity problem. We demonstrate the performance of our models on real and artificial data including an optimal intervention for the critical events problem.
Authors: Antonin Schrab
Abstract: This article provides a practical introduction to kernel discrepancies, focusing on the Maximum Mean Discrepancy (MMD), the Hilbert-Schmidt Independence Criterion (HSIC), and the Kernel Stein Discrepancy (KSD). Various estimators for these discrepancies are presented, including the commonly-used V-statistics and U-statistics, as well as several forms of the more computationally-efficient incomplete U-statistics. The importance of the choice of kernel bandwidth is stressed, showing how it affects the behaviour of the discrepancy estimation. Adaptive estimators are introduced, which combine multiple estimators with various kernels, addressing the problem of kernel selection.
Authors: Philipp Bomatter, Henry Gouk
Abstract: The application of machine learning (ML) to electroencephalography (EEG) has great potential to advance both neuroscientific research and clinical applications. However, the generalisability and robustness of EEG-based ML models often hinge on the amount and diversity of training data. It is common practice to split EEG recordings into small segments, thereby increasing the number of samples substantially compared to the number of individual recordings or participants. We conceptualise this as a multi-level data generation process and investigate the scaling behaviour of model performance with respect to the overall sample size and the participant diversity through large-scale empirical studies. We then use the same framework to investigate the effectiveness of different ML strategies designed to address limited data problems: data augmentations and self-supervised learning. Our findings show that model performance scaling can be severely constrained by participant distribution shifts and provide actionable guidance for data collection and ML research. The code for our experiments is publicly available online.
Authors: Fethi Harkat (EDP, DT), Guillaume Gey (DT), Val\'erie Perrier (EDP), K\'evin Polisano (SVH), Tiphaine Deuberet (DT)
Abstract: Traditional feature extraction and projection techniques, such as Principal Component Analysis, struggle to adequately represent X-Ray Transmission (XRT) Multi-Energy (ME) images, limiting the performance of neural networks in decision-making processes. To address this issue, we propose a method that approximates the dataset topology by constructing adjacency graphs using the Uniform Manifold Approximation and Projection. This approach captures nonlinear correlations within the data, significantly improving the performance of machine learning algorithms, particularly in processing Hyperspectral Images (HSI) from X-ray transmission spectroscopy. This technique not only preserves the global structure of the data but also enhances feature separability, leading to more accurate and robust classification results.
Authors: Zhaoxin Li, Zhang Xi-Jia, Batuhan Altundas, Letian Chen, Rohan Paleja, Matthew Gombolay
Abstract: Semantic interpretability in Reinforcement Learning (RL) enables transparency and verifiability of decision-making. Achieving semantic interpretability in reinforcement learning requires (1) a feature space composed of human-understandable concepts and (2) a policy that is interpretable and verifiable. However, constructing such a feature space has traditionally relied on manual human specification, which often fails to generalize to unseen environments. Moreover, even when interpretable features are available, most reinforcement learning algorithms employ black-box models as policies, thereby hindering transparency. We introduce interpretable Tree-based Reinforcement learning via Automated Concept Extraction (iTRACE), an automated framework that leverages pre-trained vision-language models (VLM) for semantic feature extraction and train a interpretable tree-based model via RL. To address the impracticality of running VLMs in RL loops, we distill their outputs into a lightweight model. By leveraging Vision-Language Models (VLMs) to automate tree-based reinforcement learning, iTRACE loosens the reliance the need for human annotation that is traditionally required by interpretable models. In addition, it addresses key limitations of VLMs alone, such as their lack of grounding in action spaces and their inability to directly optimize policies. We evaluate iTRACE across three domains: Atari games, grid-world navigation, and driving. The results show that iTRACE outperforms other interpretable policy baselines and matches the performance of black-box policies on the same interpretable feature space.
Authors: William Gilpin
Abstract: Single-cell sequencing technology maps cells to a high-dimensional space encoding their internal activity. Recently-proposed virtual cell models extend this concept, enriching cells' representations based on patterns learned from pretraining on vast cell atlases. This review explores how advances in understanding the structure of natural language embeddings informs ongoing efforts to analyze single-cell datasets. Both fields process unstructured data by partitioning datasets into tokens embedded within a high-dimensional vector space. We discuss how the context of tokens influences the geometry of embedding space, and how low-dimensional manifolds shape this space's robustness and interpretation. We highlight how new developments in foundation models for language, such as interpretability probes and in-context reasoning, can inform efforts to construct cell atlases and train virtual cell models.
Authors: Avinash Kumar, Shashank Nag, Jason Clemons, Lizy John, Poulami Das
Abstract: Early-Exit Large Language Models (EE-LLMs) enable high throughput inference by allowing tokens to exit early at intermediate layers. However, their throughput is limited by the computational and memory savings. Existing EE-LLM frameworks rely on a single model and therefore, their token generation latencies are bottlenecked by tokens that do not exit early and traverse additional layers. Moreover, early exits are only known at runtime and depend on the request. Therefore, these frameworks load the weights of all model layers even though large portions remain unused when tokens exit early. The lack of memory savings limit us from scaling the batch sizes. We propose $\textit{HELIOS}$, a framework that improves both token generation latency and batch sizes to enable high-throughput in EE-LLMs. HELIOS exploits two insights. $\textit{First}$, early exits are often complimentary across models, tokens that do not exit early on one model often take an early-exit on another. HELIOS employs multiple models and dynamically switches between them to collectively maximize the number of tokens that exit early, and minimize token generation latencies. $\textit{Second}$, even when a predicted token does not exit early due to poor confidence, it often remains unchanged even after additional layer traversal. HELIOS greedily allows such tokens to exit early and only loads the weights of the most likely to be used layers, yielding memory savings which is then re-purposed to increase batch sizes. HELIOS employs real-time profiling to accurately identify the early-exit distributions, and adaptively switches between models by tracking tokens in real-time to minimize the performance degradation caused by greedy model loading and exiting. Our evaluations show that HELIOS achieves $1.48\times$ higher throughput and $15.14\times$ larger batch size compared to existing EE-LLM frameworks.
Authors: Yibo Jacky Zhang, Sanmi Koyejo
Abstract: Fields offer a versatile approach for describing complex systems composed of interacting and dynamic components. In particular, some of these dynamical and stochastic systems may exhibit goal-directed behaviors aimed at achieving specific objectives, which we refer to as $\textit{intelligent fields}$. However, due to their inherent complexity, it remains challenging to develop a formal theoretical description of such systems and to effectively translate these descriptions into practical applications. In this paper, we propose three fundamental principles to establish a theoretical framework for understanding intelligent fields: complete configuration, locality, and purposefulness. Moreover, we explore methodologies for designing such fields from the perspective of artificial intelligence applications. This initial investigation aims to lay the groundwork for future theoretical developments and practical advances in understanding and harnessing the potential of such objective-driven dynamical stochastic fields.
Authors: Konstantin Dobler, Desmond Elliott, Gerard de Melo
Abstract: Current language models rely on static vocabularies determined at pretraining time, which can lead to decreased performance and increased computational cost for domains underrepresented in the original vocabulary. New tokens can be added to solve this problem, when coupled with a good initialization for their new embeddings. However, existing embedding initialization methods require expensive further training or pretraining of additional modules. In this paper, we propose Token Distillation and show that by distilling representations obtained using the original tokenization, we can quickly learn high-quality input embeddings for new tokens. Experimental results with a wide range of open-weight models show that Token Distillation outperforms even strong baselines.
Authors: Sebastian Antony Joseph, Syed Murtaza Husain, Stella S. R. Offner, St\'ephanie Juneau, Paul Torrey, Adam S. Bolton, Juan P. Farias, Niall Gaffney, Greg Durrett, Junyi Jessy Li
Abstract: Large Language Models (LLMs) are being explored for applications in scientific research, including their capabilities to synthesize literature, answer research questions, generate research ideas, and even conduct computational experiments. Ultimately, our goal is for these to help scientists derive novel scientific insights. In many areas of science, such insights often arise from processing and visualizing data to understand its patterns. However, evaluating whether an LLM-mediated scientific workflow produces outputs conveying the correct scientific insights is challenging to evaluate and has not been addressed in past work. We introduce AstroVisBench, the first benchmark for both scientific computing and visualization in the astronomy domain. AstroVisBench judges a language model's ability to both (1) create astronomy-specific workflows to process and analyze data and (2) visualize the results of these workflows through complex plots. Our evaluation of visualizations uses a novel LLM-as-a-judge workflow, which is validated against annotation by five professional astronomers. Using AstroVisBench we present an evaluation of state-of-the-art language models, showing a significant gap in their ability to engage in astronomy research as useful assistants. This evaluation provides a strong end-to-end evaluation for AI scientists that offers a path forward for the development of visualization-based workflows, which are central to a broad range of domains from physics to biology.
Authors: L\'eo and\'eol, Luca Mossina, Adrien Mazoyer, S\'ebastien Gerchinovitz
Abstract: Recent advances in object detectors have led to their adoption for industrial uses. However, their deployment in safety-critical applications is hindered by the inherent lack of reliability of neural networks and the complex structure of object detection models. To address these challenges, we turn to Conformal Prediction, a post-hoc predictive uncertainty quantification procedure with statistical guarantees that are valid for any dataset size, without requiring prior knowledge on the model or data distribution. Our contribution is manifold. First, we formally define the problem of Conformal Object Detection (COD). We introduce a novel method, Sequential Conformal Risk Control (SeqCRC), that extends the statistical guarantees of Conformal Risk Control to two sequential tasks with two parameters, as required in the COD setting. Then, we present old and new loss functions and prediction sets suited to applying SeqCRC to different cases and certification requirements. Finally, we present a conformal toolkit for replication and further exploration of our method. Using this toolkit, we perform extensive experiments that validate our approach and emphasize trade-offs and other practical consequences.
Authors: Daniel Israel, Guy Van den Broeck, Aditya Grover
Abstract: The generation speed of LLMs are bottlenecked by autoregressive decoding, where tokens are predicted sequentially one by one. Alternatively, diffusion large language models (dLLMs) theoretically allow for parallel token generation, but in practice struggle to achieve the speed of autoregressive models without significantly sacrificing quality. We therefore introduce adaptive parallel decoding (APD), a novel method that dynamically adjusts the number of tokens sampled in parallel. We achieve this by defining a multiplicative mixture between the dLLM marginal probabilities and the joint probability of sequences under a small auxiliary autoregressive model. This inverts the standard setup of speculative decoding, where the goal is to sample from a large autoregressive verifier by drafting from a smaller model. We further optimize APD by enabling KV caching and limiting the size of the masked input. Altogether, our method puts forward three tunable parameters to flexibly tradeoff throughput and quality. We show that APD provides markedly higher throughput with minimal quality degradations on downstream benchmarks.
Authors: Jack Cole, Mohamed Osman
Abstract: The Abstraction and Reasoning Corpus (ARC-AGI) presents a formidable challenge for AI systems. Despite the typically low performance on ARC, the deep learning paradigm remains the most effective known strategy for generating skillful (state-of-the-art) neural networks (NN) across varied modalities and tasks in vision, language etc. The deep learning paradigm has proven to be able to train these skillful neural networks and learn the abstractions needed in these diverse domains. Our work doubles down on that and continues to leverage this paradigm by incorporating on-the-fly NN training at test time. We demonstrate that fully committing to deep learning's capacity to acquire novel abstractions yields state-of-the-art performance on ARC. Specifically, we treat both the neural network and the optimizer (rather than just a pre-trained network) as integral components of the inference process, fostering generalization to unseen tasks. Concretely, we propose a methodology for training on ARC, starting from pretrained LLMs, and enhancing their ARC reasoning. We also propose Test-Time Fine-Tuning (TTFT) and the Augment Inference Reverse-Augmentation and Vote (AIRV) as effective test-time techniques. We are the first to propose and show deep learning can be used effectively for ARC, showing boosts of up to 260% in accuracy with AIRV and a further 300% boost with TTFT. An early version of this approach secured first place in the 2023 ARCathon competition, while the final version achieved the current best score on the ARC private test-set (58%). Our findings highlight the key ingredients of a robust reasoning system in unfamiliar domains, underscoring the central mechanisms that improve broad perceptual reasoning.
Authors: Pei-An Hsieh, Kong Yao Chee, M. Ani Hsieh
Abstract: The task of flying in tight formations is challenging for teams of quadrotors because the complex aerodynamic wake interactions can destabilize individual team members as well as the team. Furthermore, these aerodynamic effects are highly nonlinear and fast-paced, making them difficult to model and predict. To overcome these challenges, we present L1 KNODE-DW MPC, an adaptive, mixed expert learning based control framework that allows individual quadrotors to accurately track trajectories while adapting to time-varying aerodynamic interactions during formation flights. We evaluate L1 KNODE-DW MPC in two different three-quadrotor formations and show that it outperforms several MPC baselines. Our results show that the proposed framework is capable of enabling the three-quadrotor team to remain vertically aligned in close proximity throughout the flight. These findings show that the L1 adaptive module compensates for unmodeled disturbances most effectively when paired with an accurate dynamics model. A video showcasing our framework and the physical experiments is available here: https://youtu.be/9QX1Q5Ut9Rs
Authors: Yan Jiang, Hao Zhou, LiZhong GU, Ai Han, TianLong Li
Abstract: Large language models (LLMs) have recently demonstrated the ability to act as function call agents by invoking external tools, enabling them to solve tasks beyond their static knowledge. However, existing agents typically call tools step by step at a time without a global view of task structure. As tools depend on each other, this leads to error accumulation and limited scalability, particularly when scaling to thousands of tools. To address these limitations, we propose NaviAgent, a novel bilevel architecture that decouples task planning from tool execution through graph-based modeling of the tool ecosystem. At the task-planning level, the LLM-based agent decides whether to respond directly, clarify user intent, invoke a toolchain, or execute tool outputs, ensuring broad coverage of interaction scenarios independent of inter-tool complexity. At the execution level, a continuously evolving Tool World Navigation Model (TWNM) encodes structural and behavioral relations among tools, guiding the agent to generate scalable and robust invocation sequences. By incorporating feedback from real tool interactions, NaviAgent supports closed-loop optimization of planning and execution, moving beyond tool calling toward adaptive navigation of large-scale tool ecosystems. Experiments show that NaviAgent achieves the best task success rates across models and tasks, and integrating TWMN further boosts performance by up to 17 points on complex tasks, underscoring its key role in toolchain orchestration.
Authors: David Poole
Abstract: Artificial intelligence seems to be taking over the world with systems that model pixels, words, and phonemes. The world is arguably made up, not of pixels, words, and phonemes but of entities (objects, things, including events) with properties and relations among them. Surely we should model these, not the perception or description of them. You might suspect that concentrating on modeling words and pixels is because all of the (valuable) data in the world is in terms of text and images. If you look into almost any company you will find their most valuable data is in spreadsheets, databases and other relational formats. These are not the form that are studied in introductory machine learning, but are full of product numbers, student numbers, transaction numbers and other identifiers that can't be interpreted naively as numbers. The field that studies this sort of data has various names including relational learning, statistical relational AI, and many others. This paper explains why relational learning is not taking over the world -- except in a few cases with restricted relations -- and what needs to be done to bring it to it's rightful prominence.
Authors: Dongfang Zhao
Abstract: Recent work has provided compelling evidence challenging the foundational manifold hypothesis for the token embedding spaces of Large Language Models (LLMs). These findings reveal the presence of geometric singularities around polysemous tokens, which can lead to representational instability. Existing methodologies, which presuppose a smooth data manifold, are ill-equipped to address such intrinsic structural flaws. In this paper, we formalize this problem in the language of scheme theory and propose a rigorous resolution by applying the scheme-theoretic blow-up at each singular point. This procedure replaces a singular point in the ambient affine scheme with its exceptional divisor, which we identify as a canonical geometric space -- a projective space of directions -- that houses the disambiguated semantic meanings of the token. This process of ``representational desingularization'' constructs a new geometric landscape for embeddings. We prove a formal theorem guaranteeing the geometric regularization of this new space, showing that the original pathologies are resolved. Finally, we outline the architectural implications of our framework, arguing for a paradigm shift from static look-ups to dynamic, geometrically-grounded computation.
Authors: Hangcheng Zhao, Ron Berman
Abstract: When online sellers use AI learning algorithms to automatically compete on e-commerce platforms, there is concern that they will learn to coordinate on higher than competitive prices. However, this concern was primarily raised in single-dimension price competition. We investigate whether this prediction holds when sellers make pricing and advertising decisions together, i.e., two-dimensional decisions. We analyze competition in multi-agent reinforcement learning, and use a large-scale dataset from Amazon.com to provide empirical evidence. We show that when consumers have high search costs, learning algorithms can coordinate on prices lower than competitive prices, facilitating a win-win-win for consumers, sellers, and platforms. This occurs because algorithms learn to coordinate on lower advertising bids, which lower advertising costs, leading to lower prices and enlarging demand on the platform. We also show that our results generalize to any learning algorithm that uses exploration of price and advertising bids. Consistent with our predictions, an empirical analysis shows that price levels exhibit a negative interaction between estimated consumer search costs and algorithm usage index. We analyze the platform's strategic response and find that reserve price adjustments will not increase platform profits, but commission adjustments will, while maintaining the beneficial outcomes for both sellers and consumers.
Authors: Jianbin Tan, Anru R. Zhang
Abstract: Functional data, i.e., smooth random functions observed over a continuous domain, are increasingly available in areas such as biomedical research, health informatics, and epidemiology. However, effective statistical analysis for functional data is often hindered by challenges such as privacy constraints, sparse and irregular sampling, infinite dimensionality, and non-Gaussian structures. To address these challenges, we introduce a novel framework named Smooth Flow Matching (SFM), tailored for generative modeling of functional data to enable statistical analysis without exposing sensitive real data. Built upon flow-matching ideas, SFM constructs a semiparametric copula flow to generate infinite-dimensional functional data, free from Gaussianity or low-rank assumptions. It is computationally efficient, handles irregular observations, and guarantees the smoothness of the generated functions, offering a practical and flexible solution in scenarios where existing deep generative methods are not applicable. Through extensive simulation studies, we demonstrate the advantages of SFM in terms of both synthetic data quality and computational efficiency. We then apply SFM to generate clinical trajectory data from the MIMIC-IV patient electronic health records (EHR) longitudinal database. Our analysis showcases the ability of SFM to produce high-quality surrogate data for downstream statistical tasks, highlighting its potential to boost the utility of EHR data for clinical applications.
Authors: S Krishna Niketh, Prasanta K Panigrahi, V Vignesh, Mayukha Pal
Abstract: This paper presents a physics-aware cyberphysical resilience framework for radial microgrids under coordinated cyberattacks. The proposed approach models the attacker through a hypergraph neural network (HGNN) enhanced with model agnostic metalearning (MAML) to rapidly adapt to evolving defense strategies and predict high-impact contingencies. The defender is modeled via a bi-level Stackelberg game, where the upper level selects optimal tie-line switching and distributed energy resource (DER) dispatch using an Alternating Direction Method of Multipliers (ADMM) coordinator embedded within the Non-dominated Sorting Genetic Algorithm II (NSGA-II). The framework simultaneously optimizes load served, operational cost, and voltage stability, ensuring all post-defense states satisfy network physics constraints. The methodology is first validated on the IEEE 69-bus distribution test system with 12 DERs, 8 critical loads, and 5 tie-lines, and then extended to higher bus systems including the IEEE 123-bus feeder and a synthetic 300-bus distribution system. Results show that the proposed defense strategy restores nearly full service for 90% of top-ranked attacks, mitigates voltage violations, and identifies Feeder 2 as the principal vulnerability corridor. Actionable operating rules are derived, recommending pre-arming of specific tie-lines to enhance resilience, while higher bus system studies confirm scalability of the framework on the IEEE 123-bus and 300-bus systems.
Authors: Kuan-Wei Lu, Ding-Yong Hong, Pangfeng Liu, Jan-Jan Wu
Abstract: Distributed machine learning is critical for training deep learning models on large datasets with numerous parameters. Current research primarily focuses on leveraging additional hardware resources and powerful computing units to accelerate the training process. As a result, larger batch sizes are often employed to speed up training. However, training with large batch sizes can lead to lower accuracy due to poor generalization. To address this issue, we propose the dual-batch learning scheme, a distributed training method built on the parameter server framework. This approach maximizes training efficiency by utilizing the largest batch size that the hardware can support while incorporating a smaller batch size to enhance model generalization. By using two different batch sizes simultaneously, this method improves accuracy with minimal additional training time. Additionally, to mitigate the time overhead caused by dual-batch learning, we propose the cyclic progressive learning scheme. This technique repeatedly and gradually increases image resolution from low to high during training, thereby reducing training time. By combining cyclic progressive learning with dual-batch learning, our hybrid approach improves both model generalization and training efficiency. Experimental results with ResNet-18 demonstrate that, compared to conventional training methods, our approach improves accuracy by 3.3% while reducing training time by 10.1% on CIFAR-100, and further achieves a 34.8% reduction in training time on ImageNet.
Authors: Manojit Chakraborty, Madhusudan Ghosh, Rishabh Gupta
Abstract: In the domain of software development, LLMs have been utilized to automate tasks such as code translation, where source code from one programming language is translated to another while preserving its functionality. However, LLMs often struggle with long source codes that don't fit into the context window, which produces inaccurate translations. To address this, we propose a novel zero-shot code translation method that incorporates identifier replacement. By substituting user-given long identifiers with generalized placeholders during translation, our method allows the LLM to focus on the logical structure of the code, by reducing token count and memory usage, which improves the efficiency and cost-effectiveness of long code translation. Our empirical results demonstrate that our approach preserves syntactical and hierarchical information and produces translation results with reduced tokens.
Authors: Tiancheng Hu, Benjamin Minixhofer, Nigel Collier
Abstract: The "alignment tax" of post-training is typically framed as a drop in task accuracy. We show it also involves a severe loss of calibration, making models overconfident, less reliable, and model outputs less diverse. We show that this trade-off can be navigated effectively via a simple post-hoc intervention: interpolating between a model's weights before and after alignment. Crucially, this is not a strict trade-off. We find that the process consistently reveals Pareto-optimal interpolations - models that improve accuracy beyond both parents while substantially recovering the calibration lost during alignment. Our work demonstrates that simple model merging provides a computationally efficient method for mitigating the full scope of the alignment tax, yielding models that are more capable and more reliable.
Authors: Sheida Rahnamai Kordasiabi, Damian Dalle Nogare, Florian Jug
Abstract: Semantic segmentation of electron microscopy (EM) images of biological samples remains a challenge in the life sciences. EM data captures details of biological structures, sometimes with such complexity that even human observers can find it overwhelming. We introduce {\epsilon}-Seg, a method based on hierarchical variational autoencoders (HVAEs), employing center-region masking, sparse label contrastive learning (CL), a Gaussian mixture model (GMM) prior, and clustering-free label prediction. Center-region masking and the inpainting loss encourage the model to learn robust and representative embeddings to distinguish the desired classes, even if training labels are sparse (0.05% of the total image data or less). For optimal performance, we employ CL and a GMM prior to shape the latent space of the HVAE such that encoded input patches tend to cluster wrt. the semantic classes we wish to distinguish. Finally, instead of clustering latent embeddings for semantic segmentation, we propose a MLP semantic segmentation head to directly predict class labels from latent embeddings. We show empirical results of {\epsilon}-Seg and baseline methods on 2 dense EM datasets of biological tissues and demonstrate the applicability of our method also on fluorescence microscopy data. Our results show that {\epsilon}-Seg is capable of achieving competitive sparsely-supervised segmentation results on complex biological image data, even if only limited amounts of training labels are available.
Authors: Joe Meyer, Divyansha Lachi, Mahmoud Mohammadi, Roshan Reddy Upendra, Eva L. Dyer, Mark Li, Tom Palczewski
Abstract: Relational multi-table data is common in domains such as e-commerce, healthcare, and scientific research, and can be naturally represented as heterogeneous temporal graphs with multi-modal node attributes. Existing graph neural networks (GNNs) rely on schema-specific feature encoders, requiring separate modules for each node type and feature column, which hinders scalability and parameter sharing. We introduce RELATE (Relational Encoder for Latent Aggregation of Typed Entities), a schema-agnostic, plug-and-play feature encoder that can be used with any general purpose GNN. RELATE employs shared modality-specific encoders for categorical, numerical, textual, and temporal attributes, followed by a Perceiver-style cross-attention module that aggregates features into a fixed-size, permutation-invariant node representation. We evaluate RELATE on ReLGNN and HGT in the RelBench benchmark, where it achieves performance within 3% of schema-specific encoders while reducing parameter counts by up to 5x. This design supports varying schemas and enables multi-dataset pretraining for general-purpose GNNs, paving the way toward foundation models for relational graph data.
Authors: Jack Merullo, Srihita Vatsavaya, Lucius Bushnaq, Owen Lewis
Abstract: We characterize how memorization is represented in transformer models and show that it can be disentangled in the weights of both language models (LMs) and vision transformers (ViTs) using a decomposition based on the loss landscape curvature. This insight is based on prior theoretical and empirical work showing that the curvature for memorized training points is much sharper than non memorized, meaning ordering weight components from high to low curvature can reveal a distinction without explicit labels. This motivates a weight editing procedure that suppresses far more recitation of untargeted memorized data more effectively than a recent unlearning method (BalancedSubnet), while maintaining lower perplexity. Since the basis of curvature has a natural interpretation for shared structure in model weights, we analyze the editing procedure extensively on its effect on downstream tasks in LMs, and find that fact retrieval and arithmetic are specifically and consistently negatively affected, even though open book fact retrieval and general logical reasoning is conserved. We posit these tasks rely heavily on specialized directions in weight space rather than general purpose mechanisms, regardless of whether those individual datapoints are memorized. We support this by showing a correspondence between task data's activation strength with low curvature components that we edit out, and the drop in task performance after the edit. Our work enhances the understanding of memorization in neural networks with practical applications towards removing it, and provides evidence for idiosyncratic, narrowly-used structures involved in solving tasks like math and fact retrieval.
Authors: Runxi Huang, Mingxuan Yu, Mingyu Tsoi, Xiaomin Ouyang
Abstract: Real-time multimodal inference on resource-constrained edge devices is essential for applications such as autonomous driving, human-computer interaction, and mobile health. However, prior work often overlooks the tight coupling between sensing dynamics and model execution, as well as the complex inter-modality dependencies. In this paper, we propose MMEdge, an new on-device multi-modal inference framework based on pipelined sensing and encoding. Instead of waiting for complete sensor inputs, MMEdge decomposes the entire inference process into a sequence of fine-grained sensing and encoding units, allowing computation to proceed incrementally as data arrive. MMEdge also introduces a lightweight but effective temporal aggregation module that captures rich temporal dynamics across different pipelined units to maintain accuracy performance. Such pipelined design also opens up opportunities for fine-grained cross-modal optimization and early decision-making during inference. To further enhance system performance under resource variability and input data complexity, MMEdge incorporates an adaptive multimodal configuration optimizer that dynamically selects optimal sensing and model configurations for each modality under latency constraints, and a cross-modal speculative skipping mechanism that bypasses future units of slower modalities when early predictions reach sufficient confidence. We evaluate MMEdge using two public multimodal datasets and deploy it on a real-world unmanned aerial vehicle (UAV)-based multimodal testbed. The results show that MMEdge significantly reduces end-to-end latency while maintaining high task accuracy across various system and data dynamics.
Authors: Ziji Chen, Steven W. D. Chien, Peng Qian, Noa Zilberman
Abstract: Modern machine learning (ML) has grown into a tightly coupled, full-stack ecosystem that combines hardware, software, network, and applications. Many users rely on cloud providers for elastic, isolated, and cost-efficient resources. Unfortunately, these platforms as a service use virtualization, which means operators have little insight into the users' workloads. This hinders resource optimizations by the operator, which is essential to ensure cost efficiency and minimize execution time. In this paper, we argue that workload knowledge is unnecessary for system-level optimization. We propose Reveal, which takes a hardware-centric approach, relying only on hardware signals - fully accessible by operators. Using low-level signals collected from the system, Reveal detects anomalies through an unsupervised learning pipeline. The pipeline is developed by analyzing over 30 popular ML models on various hardware platforms, ensuring adaptability to emerging workloads and unknown deployment patterns. Using Reveal, we successfully identified both network and system configuration issues, accelerating the DeepSeek model by 5.97%.