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Curating high-quality, domain-specific datasets is a major bottleneck for deploying robust vision systems, requiring complex trade-offs between data quality, diversity, and cost when researching vast, unlabeled data lakes. We introduce…

Large language model agents are becoming increasingly capable at web-centric tasks such as information retrieval, complex reasoning. These emerging capabilities have given rise to surge research interests in developing LLM agent for…

Computation and Language · Computer Science 2026-04-02 Yu Li , Lehui Li , Lin Chen , Qingmin Liao , Fengli Xu , Yong Li

Despite tremendous progress, machine learning and deep learning still suffer from incomprehensible predictions. Incomprehensibility, however, is not an option for the use of (deep) reinforcement learning in the real world, as unpredictable…

Artificial Intelligence · Computer Science 2024-07-23 Manuel Eberhardinger , Florian Rupp , Johannes Maucher , Setareh Maghsudi

Failure attribution in multi-agent systems -- pinpointing the exact step where a decisive error occurs -- is a critical yet unsolved challenge. Current methods treat this as a pattern recognition task over long conversation logs, leading to…

Artificial Intelligence · Computer Science 2025-09-24 Alva West , Yixuan Weng , Minjun Zhu , Zhen Lin , Zhiyuan Ning , Yue Zhang

Large language models (LLMs) are increasingly used to evolve programs and multi-agent systems, yet most existing approaches rely on overwrite-based mutations that maintain only a single candidate at a time. Such methods discard useful…

Artificial Intelligence · Computer Science 2025-12-18 Kamer Ali Yuksel

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…

In the rapidly evolving fields of Artificial Intelligence (AI) and Machine Learning (ML), the reproducibility crisis underscores the urgent need for clear validation methodologies to maintain scientific integrity and encourage advancement.…

Computers and Society · Computer Science 2025-04-01 Abhyuday Desai , Mohamed Abdelhamid , Nakul R. Padalkar

Predicting cellular responses to various perturbations is a critical focus in drug discovery and personalized therapeutics, with deep learning models playing a significant role in this endeavor. Single-cell datasets contain technical…

Machine Learning · Computer Science 2024-09-11 Seungheun Baek , Soyon Park , Yan Ting Chok , Junhyun Lee , Jueon Park , Mogan Gim , Jaewoo Kang

The prediction of protein 3D structure from amino acid sequence is a computational grand challenge in biophysics, and plays a key role in robust protein structure prediction algorithms, from drug discovery to genome interpretation. The…

Biomolecules · Quantitative Biology 2024-07-03 Hyun Park , Parth Patel , Roland Haas , E. A. Huerta

Academic researchers need efficient and reliable methods for collecting high-quality information from trusted sources, but modern tools for AI-assisted research still suffer from the tendency of Large Language Models (LLMs) to produce…

Computation and Language · Computer Science 2026-05-21 Gábor Recski , Szilveszter Tóth , Nadia Verdha , István Boros , Ádám Kovács

In this white paper, we present AlphaEvolve, an evolutionary coding agent that substantially enhances capabilities of state-of-the-art LLMs on highly challenging tasks such as tackling open scientific problems or optimizing critical pieces…

As scientific literature grows rapidly, automated survey generation has become a key capability for AI scientists and human researchers. However, existing systems suffer from limited analytical depth due to reliance on abstracts and…

Artificial Intelligence · Computer Science 2026-05-29 Ziyue Yang , Da Ma , Hanqi Li , Zijian Wang , Tiancheng Huang , Zijian Hu , Chenrun Wang , Yunzhe Zhang , Xiaobao Wu , Kai Yu , Lu Chen

AI coding agents are increasingly integrated into real-world software development workflows, yet their robustness under diverse and adversarial scenarios remains poorly understood. We present ABTest, a behavior-driven fuzzing framework that…

Software Engineering · Computer Science 2026-04-23 Wuyang Dai , Moses Openja , Hung Viet Pham , Gias Uddin , Jinqiu Yang , Song Wang

Agentic systems, AI architectures that autonomously execute multi-step workflows to achieve complex goals, are often built using repeated large language model (LLM) calls for closed-set decision tasks such as routing, shortlisting, gating,…

Computation and Language · Computer Science 2026-02-19 Ido Levy , Eilam Shapira , Yinon Goldshtein , Avi Yaeli , Nir Mashkif , Segev Shlomov

A new recalibration post-processing method is presented to improve the quality of the posterior approximation when using Approximate Bayesian Computation (ABC) algorithms. Recalibration may be used in conjunction with existing…

Computation · Statistics 2017-04-24 G. S. Rodrigues , D. Prangle , S. A. Sisson

Whole Tale http://wholetale.org is a web-based, open-source platform for reproducible research supporting the creation, sharing, execution, and verification of "Tales" for the scientific research community. Tales are executable research…

Agentic AI is rapidly advancing in healthcare and biomedical research. However, in medical image analysis, their performance and adoption remain limited due to the lack of a robust ecosystem, insufficient toolsets, and the absence of…

Computer Vision and Pattern Recognition · Computer Science 2025-09-25 Songhao Li , Jonathan Xu , Tiancheng Bao , Yuxuan Liu , Yuchen Liu , Yihang Liu , Lilin Wang , Wenhui Lei , Sheng Wang , Yinuo Xu , Yan Cui , Jialu Yao , Shunsuke Koga , Zhi Huang

Drug discovery frequently loses momentum when data, expertise, and tools are scattered, slowing design cycles. To shorten this loop we built a hierarchical, tool using agent framework that automates molecular optimisation. A Principal…

Machine Learning · Computer Science 2025-08-06 Atabey Ünlü , Phil Rohr , Ahmet Celebi

Ensuring that code accurately reflects the algorithms and methods described in research papers is critical for maintaining credibility and fostering trust in AI research. This paper presents a novel system designed to verify code…

Software Engineering · Computer Science 2025-02-04 Rajat Keshri , Arun George Zachariah , Michael Boone

Retrieval-Augmented Generation (RAG) is increasingly employed in generative AI-driven scientific workflows to integrate rapidly evolving scientific knowledge bases, yet its reliability is frequently compromised by non-determinism in their…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-24 Baiqiang Wang , Dongfang Zhao , Nathan R Tallent , Luanzheng Guo