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We develop semiparametrically efficient inference for kernel measures of noise heterogeneity in additive noise models. In many applications, the regression function is estimated using flexible machine learning methods. Downstream procedures…

Machine Learning · Statistics 2026-05-28 Jakub Wornbard , Zikai Shen , Dimitri Meunier , Arthur Gretton

We study distributed composite optimization over networks: agents minimize a sum of smooth (strongly) convex functions, the agents' sum-utility, plus a nonsmooth (extended-valued) convex one. We propose a general unified algorithmic…

Optimization and Control · Mathematics 2021-08-04 Jinming Xu , Ye Tian , Ying Sun , Gesualdo Scutari

Reliable evaluation of AI systems remains a fundamental challenge when ground truth labels are unavailable, particularly for systems generating natural language outputs like AI chat and agent systems. Many of these AI agents and systems…

Machine Learning · Statistics 2025-11-05 Kaihua Ding

The rapid deployment of AI systems in high-stakes domains, including those classified as high-risk under the The EU AI Act (Regulation (EU) 2024/1689), has intensified the need for reliable compliance auditing. For binary classifiers,…

Machine Learning · Computer Science 2026-03-10 Valentin Lafargue , Adriana Laurindo Monteiro , Emmanuelle Claeys , Laurent Risser , Jean-Michel Loubes

Scientific practice typically involves repeatedly studying a system, each time trying to unravel a different perspective. In each study, the scientist may take measurements under different experimental conditions (interventions,…

Machine Learning · Statistics 2014-03-11 Sofia Triantafillou , Ioannis Tsamardinos

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

Artificial intelligence (AI) systems in high-stakes domains raise concerns about proxy discrimination, unfairness, and explainability. Existing audits often fail to reveal why unfairness arises, particularly when rooted in structural bias.…

Artificial Intelligence · Computer Science 2025-11-25 Belona Sonna , Alban Grastien

As industry reports claim agentic AI systems deliver double-digit productivity gains and multi-trillion dollar economic potential, the validity of these claims has become critical for investment decisions, regulatory policy, and responsible…

Computers and Society · Computer Science 2025-10-03 Kiana Jafari Meimandi , Gabriela Aránguiz-Dias , Grace Ra Kim , Lana Saadeddin , Allie Griffith , Mykel J. Kochenderfer

Code agents are advancing rapidly, but debugging them is becoming increasingly difficult. As frameworks orchestrate parallel tool calls and multi-stage workflows over complex tasks, making the agent's state transitions and error propagation…

The hallmark of Deep Research agents lies in compositional reasoning, the capacity to aggregate distributed, heterogeneous information into coherent logical insights. However, current agentic systems are often retrieval-heavy but…

Computation and Language · Computer Science 2026-04-30 Rui Wang , Ce Zhang , Jun-Yu Ma , Jianshu Zhang , Hongru Wang , Yi Chen , Boyang Xue , Tianqing Fang , Zhisong Zhang , Hongming Zhang , Haitao Mi , Dong Yu , Kam-Fai Wong

Large language models are moving scientific research from text assistance toward agentic workflows, yet biological research requires strong object validation, methodological suitability, reproducibility, and auditability. Prompt…

Quantitative Methods · Quantitative Biology 2026-05-25 Zhenyu Ma , Yuyang Song , Chunyi Yang , Jingyi Zhu , Limei Xu , Min Xiao , Xukai Jiang

Designing multi-agent workflows is especially difficult in open-ended scientific settings where tasks lack curated training sets, reliable scalar evaluation metrics, and standardized interfaces between existing tools and agents. We propose…

Artificial Intelligence · Computer Science 2026-05-21 Shuaike Shen , Wenduo Cheng , Shike Wang , Mingqian Ma , Jian Ma

Recent progress in formal theorem proving has benefited from large-scale proof generation and verifier-aware training, but agentic proving is rarely integrated into prover training, appearing only at inference time. We present OProver, a…

Computation and Language · Computer Science 2026-05-19 David Ma , Kaijing Ma , Shawn Guo , Yunfeng Shi , Enduo Zhao , Jiajun Shi , Zhaoxiang Zhang , Gavin Cheung , Jiaheng Liu , Zili Wang

Agentic repository-level code understanding is essential for automating complex software engineering tasks, yet the field lacks reliable benchmarks. Existing evaluations often overlook the long tail topics and rely on popular repositories…

We introduce DeepSearchQA, a 900-prompt benchmark for evaluating agents on difficult multi-step information-seeking tasks across 17 different fields. Unlike traditional benchmarks that target single answer retrieval or broad-spectrum…

Large language model agents now act on codebases, browsers, operating systems, calendars, files, and tool ecosystems, but their evaluations often collapse behavior into final task success. AgentAtlas reframes agent evaluation as a…

Artificial Intelligence · Computer Science 2026-05-27 Parsa Mazaheri , Kasra Mazaheri

Existing benchmarks for computational materials discovery primarily evaluate static predictive tasks or isolated computational sub-tasks. While valuable, these evaluations neglect the inherently iterative and adaptive nature of scientific…

Machine Learning · Computer Science 2026-01-30 Shreshth A Malik , Tiarnan Doherty , Panagiotis Tigas , Muhammed Razzak , Stephen J. Roberts , Aron Walsh , Yarin Gal

Progress in computer-aided synthesis planning (CASP) is obscured by the lack of standardized evaluation infrastructure and the reliance on metrics that prioritize topological completion over chemical validity. We introduce RetroCast, a…

Machine Learning · Computer Science 2025-12-09 Anton Morgunov , Victor S. Batista

Agentic systems increasingly rely on language models to monitor their own behavior. For example, coding agents may self critique generated code for pull request approval or assess the safety of tool-use actions. We show that this design…

Artificial Intelligence · Computer Science 2026-03-06 Dipika Khullar , Jack Hopkins , Rowan Wang , Fabien Roger

As causal ground truth is incredibly rare, causal discovery algorithms are commonly only evaluated on simulated data. This is concerning, given that simulations reflect preconceptions about generating processes regarding noise…