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2405.00892 2026-05-04 cs.CV cs.AI

Wake Vision: A Tailored Dataset and Benchmark Suite for TinyML Computer Vision Applications

Colby Banbury, Emil Njor, Andrea Mattia Garavagno, Mark Mazumder, Matthew Stewart, Pete Warden, Manjunath Kudlur, Nat Jeffries, Xenofon Fafoutis, Vijay Janapa Reddi

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英文摘要

Tiny machine learning (TinyML) co-locates models with sensors on microcontrollers, where small models (which are disproportionately sensitive to label noise) and bespoke binary tasks (which lack standard benchmarks) make general-purpose dataset practices a poor fit. Visual Wake Words (VWW), the prior standard TinyML person detection benchmark, contains roughly 123K images and has an estimated label error rate of 7.8%, which limits its usefulness for production-grade systems. Manual labeling, however, is prohibitively expensive for the scale and diversity of TinyML use cases. We address this gap with the Wake Vision pipeline, an automated method for generating and curating large-scale binary classification datasets for TinyML. We use data-centric TinyML for the dataset construction, curation, and lifecycle methods that produce the large, well-curated datasets these systems require. The pipeline combines label fusion across image-level and bounding-box sources, confidence-, area-, and depiction-aware filtering, label correction on the evaluation splits, and automatic generation of fine-grained benchmark subsets. Applying it to person detection, we release Wake Vision, a dataset of almost 6M images (close to 100x more person images than VWW) with a manually relabeled validation and test set at a 2.2% label error rate. Models trained on Wake Vision improve test accuracy by up to 6.6% over VWW across MobileNetV2, MCUNet, MicroNets, and ColabNAS architectures, and match or exceed VWW-trained models on 13 of 16 fine-grained subsets covering perceived gender, perceived age, distance, lighting, and depictions. The advantage holds under distribution shift on three out-of-distribution datasets covering driving and overhead-surveillance imagery. All artifacts are released under CC-BY 4.0 through TensorFlow Datasets and Hugging Face.

2404.07475 2026-05-04 cs.CL cs.AI cs.CY cs.LG

Laissez-Faire Harms: Algorithmic Biases in Generative Language Models

Evan Shieh, Faye-Marie Vassel, Cassidy Sugimoto, Thema Monroe-White

Comments 16 pages (43 if including supplementals), 8 figures (23 if including supplementals)

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Journal ref
Nat Commun 17, 1243 (2026)
英文摘要

The rapid deployment of generative language models (LMs) has raised concerns about social biases affecting the well-being of diverse consumers. The extant literature on generative LMs has primarily examined bias via explicit identity prompting. However, prior research on bias in earlier language-based technology platforms, including search engines, has shown that discrimination can occur even when identity terms are not specified explicitly. Studies of bias in LM responses to open-ended prompts (where identity classifications are left unspecified) are lacking and have not yet been grounded in end-consumer harms. Here, we advance studies of generative LM bias by considering a broader set of natural use cases via open-ended prompting. In this "laissez-faire" setting, we find that synthetically generated texts from five of the most pervasive LMs (ChatGPT3.5, ChatGPT4, Claude2.0, Llama2, and PaLM2) perpetuate harms of omission, subordination, and stereotyping for minoritized individuals with intersectional race, gender, and/or sexual orientation identities (AI/AN, Asian, Black, Latine, MENA, NH/PI, Female, Non-binary, Queer). We find widespread evidence of bias to an extent that such individuals are hundreds to thousands of times more likely to encounter LM-generated outputs that portray their identities in a subordinated manner compared to representative or empowering portrayals. We also document a prevalence of stereotypes (e.g. perpetual foreigner) in LM-generated outputs that are known to trigger psychological harms that disproportionately affect minoritized individuals. These include stereotype threat, which leads to impaired cognitive performance and increased negative self-perception. Our findings highlight the urgent need to protect consumers from discriminatory harms caused by language models and invest in critical AI education programs tailored towards empowering diverse consumers.

2403.17101 2026-05-04 cs.AI

AI Consciousness is Inevitable: A Theoretical Computer Science Perspective

Lenore Blum, Manuel Blum

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英文摘要

We look at consciousness through the lens of Theoretical Computer Science, a branch of mathematics that studies computation under resource limitations, distinguishing functions that are efficiently computable from those that are not. From this perspective, we develop a formal machine model for consciousness. The model is inspired by Alan Turing's simple yet powerful model of computation and Bernard Baars' theater model of consciousness. Though extremely simple, the model (1) aligns at a high level with many of the major scientific theories of human and animal consciousness, (2) provides explanations at a high level for many phenomena associated with consciousness, (3) gives insight into how a machine can have subjective consciousness, and (4) is clearly buildable. This combination supports our claim that machine consciousness is not only plausible but inevitable.

2403.02290 2026-05-04 cs.AI cs.LG math.DS math.OC

Koopman-Assisted Reinforcement Learning

Preston Rozwood, Edward Mehrez, Ludger Paehler, Wen Sun, Steven L. Brunton

Comments 28 pages, 10 figures, 4 tables

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英文摘要

The Bellman equation and its continuous form, the Hamilton-Jacobi-Bellman equation, are ubiquitous in reinforcement learning and control theory. However, these equations become intractable for high-dimensional or nonlinear systems. This paper develops two new reinforcement learning algorithms based on the data-driven Koopman operator, which lifts a nonlinear system into new coordinates where the dynamics become approximately linear, and where Hamilton-Jacobi-Bellman-based methods are more tractable. In particular, the Koopman operator captures the expectation of the time evolution of the value function via linear dynamics in the lifted coordinates. By parameterizing the Koopman operator with the control actions, we construct a ``controlled Koopman tensor'' that facilitates the estimation of the optimal value function. This enables us to reformulate two max-entropy RL algorithms: soft value iteration and soft actor-critic. This flexible and interpretable framework includes deterministic and stochastic systems, as well as discrete and continuous dynamics. Koopman Assisted reinforcement learning attains state-of-the-art performance with respect to traditional neural network-based soft actor-critic baselines on a linear state-space system, the Lorenz system, fluid flow past a cylinder, and a double-well potential with non-isotropic stochastic forcing.

2312.12339 2026-05-04 cs.LG cs.RO

Value Explicit Pretraining for Learning Transferable Representations

Kiran Lekkala, Henghui Bao, Sumedh A. Sontakke, Erdem Biyik, Laurent Itti

Comments Published in Robotics and Automation Letters (RA-L), January 2026

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英文摘要

Understanding visual inputs for a given task amidst varied changes is a key challenge posed by visual reinforcement learning agents. We propose \textit{Value Explicit Pretraining} (VEP), a method that learns generalizable representations for transfer reinforcement learning. VEP enables efficient learning of new tasks that share similar objectives as previously learned tasks, by learning an encoder that trains representations to be invariant to changes in environment dynamics and appearance. To pretrain the encoder with \textit{suboptimal unlabeled demonstration data} (sequence of observations and sparse reward signals), we use a self-supervised contrastive loss that enables the model to relate states across different tasks based on the Monte Carlo value estimate that is reflective of task progress, resulting in temporally smooth representations that capture the objective of the task. A major difference between our method and the existing approaches is the use of suboptimal unlabeled data that do not always solve the task. Experiments on Ant locomotion, a realistic navigation simulator and the Atari benchmark show that VEP outperforms current SoTA pretraining methods on the ability to generalize to unseen tasks. VEP achieves up to $2\times$ improvement in rewards, and up to $3\times$ improvement in sample efficiency. For videos of VEP policies, visit our \href{https://sites.google.com/view/value-explicit-pretraining/}{website}.

2309.06577 2026-05-04 cs.LG quant-ph

Efficient Finite Initialization with Partial Norms for Tensorized Neural Networks and Tensor Networks Algorithms

Alejandro Mata Ali, Iñigo Perez Delgado, Marina Ristol Roura, Aitor Moreno Fdez. de Leceta

Comments 11 pages, 16 figures, several improvements, and new demonstrations

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英文摘要

We present two algorithms to initialize layers of tensorized neural networks and general tensor network algorithms using partial computations of their Frobenius norms and positive lineal entrywise sums, depending on the type of tensor network involved. The core of this method is the use of the norm of subnetworks of the tensor network in an iterative way, so that we normalize by the finite values of the norms that led to the divergence or zero norm. In addition, the method benefits from the reuse of intermediate calculations. We have also applied it to the Matrix Product State/Tensor Train (MPS/TT) and Matrix Product Operator/Tensor Train Matrix (MPO/TT-M) layers and have seen its scaling versus the number of nodes, bond dimension, and physical dimension. All code is publicly available.

2210.15304 2026-05-04 cs.LG cs.AI

Explaining the Explainers in Graph Neural Networks: a Comparative Study

Antonio Longa, Steve Azzolin, Gabriele Santin, Giulia Cencetti, Pietro Liò, Bruno Lepri, Andrea Passerini

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Journal ref
ACM Comput. Surv. 57, 5, Article 120 (2025), 37 pages
英文摘要

Following a fast initial breakthrough in graph based learning, Graph Neural Networks (GNNs) have reached a widespread application in many science and engineering fields, prompting the need for methods to understand their decision process. GNN explainers have started to emerge in recent years, with a multitude of methods both novel or adapted from other domains. To sort out this plethora of alternative approaches, several studies have benchmarked the performance of different explainers in terms of various explainability metrics. However, these earlier works make no attempts at providing insights into why different GNN architectures are more or less explainable, or which explainer should be preferred in a given setting. In this survey, we fill these gaps by devising a systematic experimental study, which tests ten explainers on eight representative architectures trained on six carefully designed graph and node classification datasets. With our results we provide key insights on the choice and applicability of GNN explainers, we isolate key components that make them usable and successful and provide recommendations on how to avoid common interpretation pitfalls. We conclude by highlighting open questions and directions of possible future research.

2605.00820 2026-05-04 cs.CE cs.LG cs.NA math.NA

HyCOP: Hybrid Composition Operators for Interpretable Learning of PDEs

Jinpai Zhao, Nishant Panda, Yen Ting Lin, Eirik Valseth, Diane Oyen, Clint Dawson

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英文摘要

We introduce HyCOP, a modular framework that learns parametric PDE solution operators by composing simple modules (advection, diffusion, learned closures, boundary handling) in a query-conditioned way. Rather than learning a monolithic map, HyCOP learns a policy over short programs - which module to apply and for how long - conditioned on regime features and state statistics. Modules may be numerical sub-solvers or learned components, enabling hybrid surrogates evaluated at arbitrary query times without autoregressive rollout. Across diverse PDE benchmarks, HyCOP produces interpretable programs, delivers order-of-magnitude OOD improvements over monolithic neural operators, and supports modular transfer through dictionary updates (e.g., boundary swaps, residual enrichment). Our theory characterizes expressivity and gives an error decomposition that separates composition error from module error and doubles as a process-level diagnostic.

2605.00803 2026-05-04 cs.SE cs.AI cs.CL

Can Coding Agents Reproduce Findings in Computational Materials Science?

Ziyang Huang, Yi Cao, Ali K. Shargh, Jing Luo, Ruidong Mei, Mohd Zaki, Zhan Liu, Wyatt Bunstine, William Jurayj, Somdatta Goswami, Tyrel McQueen, Michael Shields, Jaafar El-Awady, Paulette Clancy, Benjamin Van Durme, Nicholas Andrews, William Walden, Daniel Khashabi

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Large language models are increasingly deployed as autonomous coding agents and have achieved remarkably strong performance on software engineering benchmarks. However, it is unclear whether such success transfers to computational scientific workflows, where tasks require not only strong coding ability, but also the ability to navigate complex, domain-specific procedures and to interpret results in the context of scientific claims. To address this question, we present AutoMat, a benchmark for evaluating LLM-based agents' ability to reproduce claims from computational materials science. AutoMat poses three interrelated challenges: recovering underspecified computational procedures, navigating specialized toolchains, and determining whether the resulting evidence supports a claim. By working closely with subject matter experts, we curate a set of claims from real materials science papers to test whether coding agents can recover and execute the end-to-end workflow needed to support (or undermine) such claims. We then evaluate multiple representative coding agent settings across several foundation models. Our results show that current LLM-based agents obtain low overall success rates on AutoMat, with the best-performing setting achieving a success rate of only 54.1%. Error analysis further reveals that agents perform worst when workflows must be reconstructed from paper text alone and that they fail primarily due to incomplete procedures, methodological deviations, and execution fragility. Taken together, these findings position AutoMat as both a benchmark for computational scientific reproducibility and a tool for diagnosing the current limitations of agentic systems in AI-for-science settings.

2605.00796 2026-05-04 cs.CR cs.AI cs.CL

When RAG Chatbots Expose Their Backend: An Anonymized Case Study of Privacy and Security Risks in Patient-Facing Medical AI

Alfredo Madrid-García, Miguel Rujas

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Background: Patient-facing medical chatbots based on retrieval-augmented generation (RAG) are increasingly promoted to deliver accessible, grounded health information. AI-assisted development lowers the barrier to building them, but they still demand rigorous security, privacy, and governance controls. Objective: To report an anonymized, non-destructive security assessment of a publicly accessible patient-facing medical RAG chatbot and identify governance lessons for safe deployment of generative AI in health. Methods: We used a two-stage strategy. First, Claude Opus 4.6 supported exploratory prompt-based testing and structured vulnerability hypotheses. Second, candidate findings were manually verified using Chrome Developer Tools, inspecting browser-visible network traffic, payloads, API schemas, configuration objects, and stored interaction data. Results: The LLM-assisted phase identified a critical vulnerability: sensitive system and RAG configuration appeared exposed through client-server communication rather than restricted server-side. Manual verification confirmed that ordinary browser inspection allowed collection of the system prompt, model and embedding configuration, retrieval parameters, backend endpoints, API schema, document and chunk metadata, knowledge-base content, and the 1,000 most recent patient-chatbot conversations. The deployment also contradicted its privacy assurances: full conversation records, including health-related queries, were retrievable without authentication. Conclusions: Serious privacy and security failures in patient-facing RAG chatbots can be identified with standard browser tools, without specialist skills or authentication; independent review should be a prerequisite for deployment. Commercial LLMs accelerated this assessment, including under a false developer persona; assistance available to auditors is equally available to adversaries.

2605.00782 2026-05-04 cs.SE cs.AI

GeoContra: From Fluent GIS Code to Verifiable Spatial Analysis with Geography-Grounded Repair

Yinhao Xiao, Rongbo Xiao, Yihan Zhang

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英文摘要

Reliable spatial analysis in GIScience requires preserving coordinate semantics, topology, units, and geographic plausibility. Current LLM-based GIS systems generate fluent scripts but rarely enforce these geographic rules at scale. We present GeoContra, a verification and repair framework for LLM-driven Python GIS workflows. It represents each task as an executable geospatial contract-including natural-language questions, schemas, CRS metadata, expected outputs, spatial predicates, topology, metrics, required operations, and forbidden shortcuts. Generated programs undergo static rule inspection, runtime validation, and semantic verification, with violations fed back into a bounded repair loop. Evaluated on 7,079 real geospatial tasks across 15 Boston-area zones, 9 task families, and 11 open-source models (600 runs each), GeoContra improves spatial correctness on closed models from 47.6% to 77.5% for DeepSeek-V4 and from 57.7% to 81.5% for Kimi-K2.5. Across 11 open models, average correctness rises by 26.6%. GeoContra turns fluent code production into verifiable spatial analysis, catching negative travel times, CRS/field-schema violations, missing predicates, and brittle output casts that otherwise yield executable but geographically invalid results.

2605.00747 2026-05-04 quant-ph cs.LG

Quantum Interval Bound Propagation for Certified Training of Quantum Neural Networks

Emma Andrews, Nahyeon Kim, Prabhat Mishra

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Quantum machine learning is a promising field for efficiently learning features of a dataset to perform a specified task, such as classification. Interval bound propagation (IBP) is a popular certified training method in classical machine learning, where the lower and upper bounds are tracked throughout the model. These bounds are used during training to ensure that the model is certified to predict the correct label even under adversarial perturbations. While IBP is successful in classical domain, there are limited certified training efforts in quantum domain. In this paper, we present quantum interval bound propagation (QIBP) to establish a certified training routine for quantum machine learning, certifying the accuracy of models under adversarial perturbations. We implement QIBP using both interval and affine arithmetic to explore the tradeoffs between the two implementations in terms of accuracy and other design considerations. Extensive evaluation demonstrates that the resulting certified trained models have robust decision boundaries, guaranteed to predict the correct class for the samples within the trained adversarial robustness bounds.

2605.00740 2026-05-04 math.OC cs.LG stat.ML

Randomized Subspace Nesterov Accelerated Gradient

Gaku Omiya, Pierre-Louis Poirion, Akiko Takeda

Comments 50 pages

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Randomized-subspace methods reduce the cost of first-order optimization by using only low-dimensional projected-gradient information, a feature that is attractive in forward-mode automatic differentiation and communication-limited settings. While Nesterov acceleration is well understood for full-gradient and coordinate-based methods, obtaining accelerated methods for general subspace sketches that use only projected-gradient information and can improve over full-dimensional Nesterov acceleration in oracle complexity is technically nontrivial. We develop randomized-subspace Nesterov accelerated gradient methods for smooth convex and smooth strongly convex optimization under matrix smoothness and generic sketch moment assumptions. The key technical ingredient is a three-sequence formulation tailored to matrix smoothness, which recovers the corresponding classical Nesterov methods in the full-dimensional case. The resulting theory establishes accelerated oracle-complexity guarantees and makes explicit how matrix smoothness and the sketch distribution enter the complexity. It also provides a unified basis for comparing sketch families and identifying when randomized-subspace acceleration improves over full-dimensional Nesterov acceleration in oracle complexity.

2605.00733 2026-05-04 cs.NI cs.AI cs.LG cs.MM

EASE: Federated Multimodal Unlearning via Entanglement-Aware Anchor Closure

Zihao Ding, Beining Wu, Jun Huang

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Federated Multimodal Learning (FML) trains multimodal models across decentralized clients while keeping their image-text pairs private. However, joint embedding training entangles forgotten knowledge across both modalities and client gradient subspaces, hindering federated unlearning. Previous federated unlearning approaches neither sever the cross-modal reconstruction channel mediated by bilinear coupling nor separate forget-exclusive update directions from those shared with retained clients. We identify an Anchor Principle for federated multimodal contrastive unlearning: forgotten alignments persist through three residual anchors arising from bilinear cross-modal coupling, principal-angle subspace entanglement, and continued federated updates. At the modality level, we show that bilateral displacement of both visual and language branches closes the cross-modal reconstruction channel. Correspondingly, our method addresses subspace entanglement through Cosine--Sine decomposition of client-update subspaces, isolating forget-exclusive directions from retain support. Moreover, we propose a direction-selective Forget Lock that bounds residual drift across rounds. Combining these strategies, we present EASE, an Entanglement-Aware Subspace Excision framework that closes all three anchor channels under a unified design. EASE demonstrates consistent superiority across multiple datasets and unlearning scenarios, for instance, matching the retrain reference to within 0.2 and 4.2 R@1 points on the forget and retain sides under client unlearning on Flickr30K with CLIP-B/32.

2603.26692 2026-05-04 quant-ph cs.AI math.PR

Degrees, Levels, and Profiles of Contextuality

Ehtibar N. Dzhafarov, Victor H. Cervantes

Comments 32 pp. 15 figures, 10 tables (v.4 is close to the published version)

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Journal ref
Entropy 2026, 28, 513
英文摘要

We introduce a new notion, that of a contextuality profile of a system of random variables. Rather than characterizing a system's contextuality by a single number, its overall degree of contextuality, we show how it can be characterized by a curve relating degree of contextuality to level at which the system is considered. A system is represented at level n if one only considers the joint distributions with no more than n variables, ignoring higher-order joint distributions. We show that the level-wise contextuality analysis can be used in conjunction with any well-constructed measure of contextuality. We present a method of concatenated systems to explore contextuality profiles systematically, and we apply it to the contextuality profiles for three major measures of contextuality proposed in the literature.

2510.22628 2026-05-04 cs.CR cs.AI

Sentra-Guard: A Real-Time Multilingual Defense Against Adversarial LLM Prompts

Md. Mehedi Hasan, Sk Tanzir Mehedi, Ziaur Rahman, Rafid Mostafiz, Md. Abir Hossain

Comments 11 pages, 5 figures. Preprint version under review in the area of Artificial Intelligence (cs.AI)

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英文摘要

This paper presents a real-time modular defense system named Sentra-Guard. The system detects and mitigates jailbreak and prompt injection attacks targeting large language models (LLMs). The framework uses a hybrid architecture with FAISS-indexed SBERT embedding representations that capture the semantic meaning of prompts, combined with fine-tuned transformer classifiers, which are machine learning models specialized for distinguishing between benign and adversarial language inputs. It identifies adversarial prompts in both direct and obfuscated attack vectors. A core innovation is the classifier-retriever fusion module, which dynamically computes context-aware risk scores that estimate how likely a prompt is to be adversarial based on its content and context. The framework ensures multilingual resilience with a language-agnostic preprocessing layer. This component automatically translates non-English prompts into English for semantic evaluation, enabling consistent detection across over 100 languages. The system includes a HITL feedback loop, where decisions made by the automated system are reviewed by human experts for continual learning and rapid adaptation under adversarial pressure. Sentra-Guard maintains an evolving dual-labeled knowledge base of benign and malicious prompts, enhancing detection reliability and reducing false positives. Evaluation results show a 99.96% detection rate (AUC = 1.00, F1 = 1.00) and an attack success rate (ASR) of only 0.004%. This outperforms leading baselines such as LlamaGuard-2 (1.3%) and OpenAI Moderation (3.7%). Unlike black-box approaches, Sentra-Guard is transparent, fine-tunable, and compatible with diverse LLM backends. Its modular design supports scalable deployment in both commercial and open-source environments. The system establishes a new state-of-the-art in adversarial LLM defense.

2510.21141 2026-05-04 cs.NI cs.LG

TURBOTEST: Learning When Less is Enough through Early Termination of Internet Speed Tests

Haarika Manda, Manshi Sagar, Yogesh, Kartikay Singh, Cindy Zhao, Tarun Mangla, Phillipa Gill, Elizabeth Belding, Arpit Gupta

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Internet speed tests are indispensable for users, ISPs, and policymakers, but their static flooding-based design imposes growing costs: a single high-speed test can transfer hundreds of MB, and collectively, platforms like Ookla, M-Lab, and Fast.com generate petabytes of traffic each month. Reducing this burden requires deciding when a test can be stopped early without sacrificing accuracy. We frame this as an optimal stopping problem and show that existing heuristics-static thresholds, BBR pipe-full signals, or throughput stability rules from Fast.com and FastBTS-capture only a narrow slice of the achievable accuracy-savings trade-off. This paper introduces TurboTest, a systematic framework for speed test termination that sits atop existing platforms. The key idea is to decouple throughput prediction (Stage 1) from test termination (Stage 2): Stage 1 trains a regressor to estimate final throughput from partial measurements, while Stage 2 trains a classifier to decide when sufficient evidence has accumulated to stop. Leveraging richer transport-level features (RTT, retransmissions, congestion window) alongside throughput, TurboTest exposes a single tunable parameter epsilon for accuracy tolerance and includes a fallback mechanism for high-variability cases. Evaluation on 1 million M-Lab NDT speed tests (2024-2025) shows that TurboTest achieves 1.8-4.4x higher data savings than an approach based on BBR signals while reducing median error. These results demonstrate that adaptive ML-based termination can deliver accurate, efficient, and deployable speed tests at scale.

2510.18900 2026-05-04 physics.chem-ph cond-mat.mtrl-sci cs.LG

Foundation Models for Discovery and Exploration in Chemical Space

Alexius Wadell, Anoushka Bhutani, Victor Azumah, Austin R. Ellis-Mohr, Andrew J. Stier, Kareem Hegazy, Alexander Brace, Hancheng Zhao, Celia Kelly, Anuj K. Nayak, Yuhan Chen, Dimitrios Simatos, Hongyi Lin, Murali Emani, Venkatram Vishwanath, Kevin Gering, Melisa Alkan, Tom Gibbs, Jack Wells, Wesley W. Qian, Richard C. Gerkin, Benjamin Amorelli, Alexander B. Wiltschko, Lav R. Varshney, Bharath Ramsundar, Karthik Duraisamy, Michael W. Mahoney, Arvind Ramanathan, Venkatasubramanian Viswanathan

Comments Main manuscript: 30 pages (including references), 7 tables and 5 figures. Supplementary information: 158 pages (including references), 15 tables and 128 figures

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Accurate prediction of atomistic, thermodynamic, and kinetic properties from molecular structures underpins materials innovation. Existing computational and experimental approaches lack the scalability required to navigate chemical space efficiently. Scientific foundation models trained on large unlabelled datasets offer a path towards navigating chemical space across application domains. Here, we develop MIST, a family of molecular foundation models with up to an order of magnitude more parameters and data than prior works. Trained using a novel tokenizer, Smirk, which comprehensively captures nuclear, electronic, and geometric information, MIST learns a diverse range of molecules. MIST models have been fine-tuned to predict more than 400 structure-property relationships and have been shown to match or exceed state-of-the-art performance across diverse benchmarks, from physiology to electrochemistry. We demonstrate the ability of these models to solve real-world problems across chemical space from multiobjective electrolyte solvent screening to stereochemical reasoning for organometallics and mixture property prediction. The clearest demonstration of a foundation model is its ability to solve problems that were neither explicit targets of training nor central to the intentions of its developers. We identify olfactory perception mapping as such a problem, and show that MIST accurately predicted scent profiles and learned a hierarchical representation of olfactory space consistent with hyperbolic geometry. We formulated hyperparameter aware Bayesian neural scaling laws which eliminate the need for hyperparameter sweeps at every scale, making training large compute-optimal models feasible on a limited compute budget. The methods and findings presented here represent a significant step towards accelerating materials discovery, design, and optimization using foundation models.

2509.26388 2026-05-04 eess.AS cs.AI cs.CL

Game-Time: Evaluating Temporal Dynamics in Spoken Language Models

Kai-Wei Chang, En-Pei Hu, Chun-Yi Kuan, Wenze Ren, Wei-Chih Chen, Guan-Ting Lin, Yu Tsao, Shao-Hua Sun, Hung-yi Lee, James Glass

Comments Accepted to ICASSP 2026

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英文摘要

Conversational Spoken Language Models (SLMs) are emerging as a promising paradigm for real-time speech interaction. However, their capacity of temporal dynamics, including the ability to manage timing, tempo and simultaneous speaking, remains a critical and unevaluated challenge for conversational fluency. To address this gap, we introduce the Game-Time Benchmark, a framework to systematically assess these temporal capabilities. Inspired by how humans learn a language through language activities, Game-Time consists of basic instruction-following tasks and advanced tasks with temporal constraints, such as tempo adherence and synchronized responses. Our evaluation of diverse SLM architectures reveals a clear performance disparity: while state-of-the-art models handle basic tasks well, many contemporary systems still struggle with fundamental instruction-following. More critically, nearly all models degrade substantially under temporal constraints, exposing persistent weaknesses in time awareness and full-duplex interaction. The Game-Time Benchmark provides a foundation for guiding future research toward more temporally-aware conversational AI. Demos and datasets are available on our project website https://ga642381.github.io/Game-Time.

2605.00731 2026-05-04 cs.SI cs.AI

Empowering Heterogeneous Graph Foundation Models via Decoupled Relation Alignment

Ziyu Zheng, Yaming Yang, Zhe Wang, Ziyu Guan, Wei Zhao

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英文摘要

While Graph Foundation Models (GFMs) have achieved remarkable success in homogeneous graphs, extending them to multi-domain heterogeneous graphs (MDHGs) remains a formidable challenge due to cross-type feature shifts and intra-domain relation gaps. Existing global feature alignment methods (PCA or SVD) enforce a shared feature space blindly, which distorts type-specific semantics and disrupts original topologies, inevitably leading to "Type Collapse" and "Relation Confusion". To address these fundamental limitations, we propose Decoupled relation Subspace Alignment (DRSA), a novel, plug-and-play relation-driven alignment framework. DRSA fundamentally shifts the paradigm by decoupling feature semantics from relation structures. Specifically, it introduces a dual-relation subspace projection mechanism to coordinate cross-type interactions within a shared low-rank relation subspace explicitly. Furthermore, a feature-structure decoupled representation is designed to decompose aligned features into a semantic projection component and a structural residual term, adaptively absorbing intra-domain variations. Optimized via a stable alternating minimization strategy based on Block Coordinate Descent, DRSA constructs a well-calibrated, structure-aware latent space. Extensive experiments on multiple real-world benchmark datasets demonstrate that DRSA can be seamlessly integrated as a universal preprocessing module, significantly and consistently enhancing the cross-domain and few-shot knowledge transfer capabilities of state-of-the-art GFMs. The code is available at: https://github.com/zhengziyu77/DSRA.

2605.00723 2026-05-04 stat.ML cs.LG math.PR

Decentralized Proximal Stochastic Gradient Langevin Dynamics

Mohammad Rafiqul Islam, Lingjiong Zhu

Comments 42 pages, 7 figures

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We propose Decentralized Proximal Stochastic Gradient Langevin Dynamics (DE-PSGLD), a decentralized Markov chain Monte Carlo (MCMC) algorithm for sampling from a log-concave probability distribution constrained to a convex domain. Constraints are enforced through a shared proximal regularization based on the Moreau-Yosida envelope, enabling unconstrained updates while preserving consistency with the target constrained posterior. We establish non-asymptotic convergence guarantees in the 2-Wasserstein distance for both individual agent iterates and their network averages. Our analysis shows that DE-PSGLD converges to a regularized Gibbs distribution and quantifies the bias introduced by the proximal approximation. We evaluate DE-PSGLD for different sampling problems on synthetic and real datasets. As the first decentralized approach for constrained domains, our algorithm exhibits fast posterior concentration and high predictive accuracy.

2605.00698 2026-05-04 eess.IV cs.LG

FedKPer: Tackling Generalization and Personalization in Medical Federated Learning via Knowledge Personalization

Zoe Fowler, Ghassan AlRegib

Comments Accepted to IEEE International Conference on Image Processing (ICIP)

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英文摘要

Federated learning (FL) holds great potential for medical applications. However, statistical heterogeneity across healthcare institutions poses a major challenge for FL, as the global model struggles both to generalize across unseen patient populations and to adapt to the unique data distributions of individual hospitals. This heterogeneity also exacerbates forgetting at both the global and local level, resulting in previous learned patient patterns to be misclassified after model updates. While prior work has largely treated generalization and personalization as separate challenges, we show that a better balance between the two can be achieved through selective alignment with the global model and a modified aggregation scheme, which together mitigate the effects of statistical heterogeneity. Specifically, we introduce FedKPer, which introduces knowledge personalization into the training stage of each local device. Afterwards, generalization is considered via the global model aggregation process, where local updates that are reliable and label-diverse are emphasized. We evaluate the performance of FedKPer, devising additional metrics that relate to common consequences of forgetting. Overall, we demonstrate FedKPer improves the generalization-personalization trade-off without sacrificing retention.

2605.00662 2026-05-04 cs.NE cs.LG

Spiking Sequence Machines and Transformers

Joy Bose

Comments 14 pages, 2 figures, 2 tables

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英文摘要

Sequence learning reduces to similarity-based retrieval over a temporally indexed representation space, a constraint on any sequence model, not a property of a specific architecture. We show that a spiking Sparse Distributed Memory sequence machine (2007) and the transformer (2017) independently instantiate the same five functional operations (encoding, context maintenance, associative retrieval, storage, and decoding), with cosine similarity as the shared retrieval primitive in both. We formalise a Phase-Latency Isomorphism showing that sinusoidal positional phase and spike timing are linearly related, and prove that dot product attention is invariant to this mapping up to a global scale factor on the positional component (Lemma 1). Empirically, frequency-compressed positional encoding fails to converge on a positionally demanding copy task, while a learned rank-based embedding matches or exceeds sinusoidal encoding, indicating that the critical property for positional representation is distance discriminability under dot-product similarity, not sinusoidal form. Time, phase, and rank are three instantiations of the same computational primitive, an ordered index whose structure survives similarity-based retrieval.

2605.00639 2026-05-04 cond-mat.mtrl-sci cs.AI

Born-Qualified: An Autonomous Framework for Deploying Advanced Energy and Electronic Materials

Steven R. Spurgeon, Milad Abolhasani, Frederick Baddour, Ryan B. Comes, Vinayak P. Dravid, Hilary Egan, Patrick Emami, Robert W. Epps, Davi M. Fébba, Renae Gannon, E. Ashley Gaulding, Ayana Ghosh, Kenny Gruchalla, Grace Guinan, Taro Hitosugi, Michael Holden, Sergei V. Kalinin, Yangang Liang, John S. Mangum, Matthew J. Olszta, Nathaniel H. Park, Axel Palmstrom, Michelle A. Smeaton, Brooks Tellekamp, Nicholas E. Thornburg, Raymond R. Unocic, Daniela Ushizima, Rama K. Vasudevan, Robert White, Andrew Young, Andriy Zakutayev

Comments 14 pages, 2 figures

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英文摘要

Autonomous science is transforming how we discover materials and chemical systems for advanced energy technologies. However, many initially promising systems never reach deployment. This "valley of death" stems from optimization that prioritizes laboratory metrics over industrial viability. We propose a new strategy: "born-qualified" autonomous development, which embeds manufacturability, cost, and durability constraints from the outset. This approach is enabled by four pillars, including the development of multi-objective metrics, causal models, a modular infrastructure, and embedding manufacturing in the discovery loop. Realizing this vision will require sustained, community-wide commitment, but the potential return on that investment is commensurate with the scale of the challenge.

2605.00628 2026-05-04 cs.DB cs.CL

EGREFINE: An Execution-Grounded Optimization Framework for Text-to-SQL Schema Refinement

Jiaqian Wang, Yutao Qi, Wenjin Hou, Yu Pang, Rui Yang

Comments 15 pages, 5 figures, 50 references.Code: https://github.com/ai-jiaqian/EGRefine

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英文摘要

Text-to-SQL enables non-expert users to query databases in natural language, yet real-world schemas often suffer from ambiguous, abbreviated, or inconsistent naming conventions that degrade model accuracy. Existing approaches treat schemas as fixed and address errors downstream. In this paper, we frame schema refinement as a constrained optimization problem: find a renaming function that maximizes downstream Text-to-SQL execution accuracy while preserving query equivalence through database views. We analyze the computational hardness of this problem, which motivates a column-wise greedy decomposition, and instantiate it as EGRefine: a four-phase pipeline that screens ambiguous columns, generates context-aware candidate names, verifies them through execution-grounded feedback, and materializes the result as non-destructive SQL views. The pipeline carries two structural properties: column-local non-degradation, ensured by the conservative selection rule in the verification phase, and database-level query equivalence, ensured by the view-based materialization phase. Together they make the resulting refinement safe by construction at the column level, with cross-column and prompt-level interactions handled empirically rather than analytically. Across controlled schema-degradation, real-world, and enterprise benchmarks, EGRefine recovers accuracy lost to schema naming noise where applicable and correctly abstains where the underlying task exceeds current Text-to-SQL capabilities, with refined schemas transferring across model families to enable refine-once, serve-many-models deployment. Code and data are publicly available at https://github.com/ai-jiaqian/EGRefine.

2605.00582 2026-05-04 cs.HC cs.AI

AI Washing Inflates Expected Performance but Not Interaction Outcomes: An AI Placebo Study Using Fitts' Law

Nick von Felten, Luisa Ella Müller, Johannes Schöning

Comments Accepted to the 2026 ACM Conference on Fairness, Accountability, and Transparency (FAccT '26)

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英文摘要

Expectations about the support of artificial intelligence (AI) may influence interaction outcomes similar to placebos. Such expectations may result from AI washing, a practice of overstating a system's AI capabilities when actual functionality is limited. For example, some computer mice are marketed as "AI-assisted" despite lacking AI in core functions. In a within-subjects study, 28 participants completed Fitts' Law tasks with a computer mouse under three conditions: no support, supposed predictive AI support, and supposed biosignal-enhanced AI support. Objective Fitts' Law performance indicators and subjective performance expectations, perceived workload, and perceived usability were measured. Compared to baseline, participants expected significantly improved performance in placebo conditions. However, these expectations did not translate into differences in objective or subjective assessments. This paper contributes evidence that AI washing inflates user expectations without altering actual interaction outcomes, highlighting a critical transparency issue. By exposing how deceptive AI marketing can shape user expectations, we underscore the need for accountability in AI product claims. Further, we establish Fitts' Law as a rigorous methodological lens for auditing AI-labelled input devices.

2605.00581 2026-05-04 stat.ML cs.LG math.OC

Gradient Regularized Newton Boosting Trees with Global Convergence

Nikita Zozoulenko, Daniel Falkowski, Thomas Cass, Lukas Gonon

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英文摘要

Gradient Boosting Decision Trees (GBDTs) dominate tabular machine learning, with modern implementations like XGBoost, LightGBM, and CatBoost being based on Newton boosting: a second-order descent step in the space of decision trees. Despite its empirical success, the global convergence of Newton boosting is poorly understood compared to first-order boosting. In this paper, we introduce Restricted Newton Descent, which studies convex optimization with Newton's method on Hilbert spaces with inexact iterates, based on the concepts of cosine angle and weak gradient edge. Within this framework, we recover Newton boosting with GBDTs and classical finite-dimensional theory as special cases. We first prove that vanilla Newton boosting achieves a linear rate of convergence for smooth, strongly convex losses that satisfy a Hessian-dominance condition. To handle general convex losses with Lipschitz Hessians, we extend a recent gradient regularized Newton scheme to the restricted weak learner setting. This scheme minimally modifies the classical algorithm by introducing an adaptive $\ell_2$-regularization term proportional to the square root of the gradient norm at each iteration. We establish a $\mathcal{O}(\frac{1}{k^2})$ rate for this scheme, thereby obtaining a globally convergent second-order GBDT algorithm with a rate matching that of first-order boosting with Nesterov momentum. In numerical experiments, we show that our scheme converges while vanilla Newton boosting may diverge.

2605.00556 2026-05-04 cs.HC cs.AI cs.CY cs.RO

Linking Behaviour and Perception to Evaluate Meaningful Human Control over Partially Automated Driving

Ashwin George, Lucas Elbert Suryana, Lorenzo Flipse, Bart van Arem, David A. Abbink, Simeon Craig Calvert, Luciano Cavalcante Siebert, Arkady Zgonnikov

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英文摘要

Partial driving automation creates a tension: drivers remain legally responsible for vehicle behaviour, yet their active control is significantly reduced. This reduction undermines the engagement and sense of agency needed to intervene safely. Meaningful human control (MHC) has been proposed as a normative framework to address this tension. However, empirical methods for evaluating whether existing systems actually provide MHC remain underdeveloped. In this study, we investigated the extent to which drivers experience MHC when interacting with partially automated driving systems. Twenty-four drivers completed a simulator study involving silent automation failures under two modes - haptic shared control (HSC) and traded control (TC). We derived behavioural metrics from telemetry data, subjective perception scores from post-trial surveys and used them to test hypothesised relations between them derived from the properties of systems under MHC. The confirmatory analysis showed a significant negative correlation between the perception of the automated vehicle (AV) understanding the driver and conflict in steering torques. An exploratory analysis also revealed a surprising positive correlation between reaction times and the perception of sufficient control. Qualitative feedback from open-ended post-experiment questionnaires revealed that mismatches in intentions between the driver and automation, lack of safety, and resistance to driver inputs contribute to the reduction of perceived MHC, while subtle haptic guidance aligned with driver intent had a positive effect. These findings suggest that future designs should prioritise effortless driver interventions, transparent communication of automation intent, and context-sensitive authority allocation to strengthen meaningful human control in partially automated driving.

2605.00536 2026-05-04 cs.DC cs.AR cs.LG cs.PF cs.RO

Tempus: A Temporally Scalable Resource-Invariant GEMM Streaming Framework for Versal AI Edge

M. Grailoo, J. Núñez-Yáñez

Comments 11 pages, 3 figures, 8 tables, 4 algorithms

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英文摘要

Scaling laws for Large Language Models (LLMs) establish that model quality improves with computational scale, yet edge deployment imposes strict constraints on compute, memory, and power. Since General Matrix Multiplication (GEMM) accounts for up to 90\% of inference time, efficient GEMM acceleration is critical for edge AI. The Adaptive Intelligent Engines available in the AMD Versal adaptive SoCs are well suited for this task, but existing state-of-the-art (SOTA) frameworks maximize performance through spatial scaling, distributing workloads across hundreds of cores -- an approach that fails on resource-limited edge SoCs due to physical implementation failures, bandwidth saturation, and excessive resource consumption. We propose Tempus, a Resource-Invariant Temporal GEMM framework for the AMD Versal AI Edge SoC. Rather than expanding hardware resources with matrix size, Tempus employs a fixed compute block of 16 AIE-ML cores, achieving scalability through iterative graph execution and algorithmic data tiling and replication in the Programmable Logic. High-speed cascade streaming ensures low-latency partial sum reduction at Initiation Interval (II) of 1, while a deadlock-free DATAFLOW protocol maximizes transfer-compute overlap and PLIO reuse. Evaluated on GEMM workloads, Tempus achieves 607 GOPS at 10.677 W total on-chip power. By characterizing system-level efficiency through the Platform-Aware Utility (PAU) metric, we prove that Tempus achieves a 211.2x higher prominence factor than the leading spatial SOTA (ARIES). Furthermore, the framework maintains a 0.00\% utilization of URAM/DSP, yielding 22.0x core frugality, 7.1x power frugality, and a 6.3x reduction in I/O demand, establishing a sustainable, scalable foundation for edge LLM inference.

2605.00528 2026-05-04 cs.DC cs.AI cs.LG cs.OS

SAGA: Workflow-Atomic Scheduling for AI Agent Inference on GPU Clusters

Dongxin Guo, Jikun Wu, Siu Ming Yiu

Comments 15 pages, 3 figures, 11 tables. Accepted to HPDC '26 (35th International Symposium on High-Performance Parallel and Distributed Computing), July 13-16, 2026, Cleveland, OH, USA

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英文摘要

AI agents execute tens to hundreds of chained LLM calls per task, yet GPU schedulers treat each call as independent, discarding gigabytes of intermediate state between steps and inflating end-to-end latency by 3-8x. We argue that this request-level abstraction is fundamentally mismatched to compound AI workloads, and propose a shift to program-level scheduling: treating the entire agent workflow (not individual inference calls) as the first-class schedulable unit. We present SAGA, a distributed scheduler that implements this abstraction through three mechanisms: (1) Agent Execution Graphs that capture workflow structure to predict KV cache reuse across tool-call boundaries, achieving within 1.31x of Bélády's optimal offline policy; (2) session-affinity batching with work stealing that co-locates correlated requests while maintaining global load balance; and (3) Agent Fair Share, a task-completion-time fairness metric with provable bounded-deviation guarantees. On a 64-GPU cluster serving SWE-bench coding agents and WebArena browser tasks, SAGA reduces task completion time by 1.64x (geometric mean, p < 0.001) over vLLM v0.15.1 with prefix caching and affinity routing, while improving GPU memory utilization by 1.22x and achieving 99.2% SLO attainment under multi-tenant interference. These latency gains come at a quantified cost: approximately 30% lower peak throughput than throughput-optimal batch scheduling, a tradeoff appropriate for the latency-sensitive interactive deployments that dominate compound AI usage. Our results demonstrate that workflow-aware scheduling is essential for efficient compound AI serving.