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Bridging the gap between theoretical conceptualization and computational implementation is a major bottleneck in Scientific Computing (SciC) and Scientific Machine Learning (SciML). We introduce ATHENA (Agentic Team for Hierarchical…

Machine Learning · Computer Science 2026-05-11 Juan Diego Toscano , Daniel T. Chen , George Em Karniadakis

We introduce Agentic Economic Modeling (AEM), a framework that aligns synthetic LLM choices with small-sample human evidence for reliable econometric inference. AEM first generates task-conditioned synthetic choices via LLMs, then learns a…

Since the advent of Large Language Models (LLMs), efforts have largely focused on improving their instruction-following and deductive reasoning abilities, leaving open the question of whether these models can truly discover new knowledge.…

Computation and Language · Computer Science 2025-10-31 Kaiyu He , Zhiyu Chen

Agent memory shapes how Large Language Model (LLM)-powered agents, akin to the human brain, progressively refine themselves through environment interactions. Existing paradigms remain constrained: parametric memory forcibly adjusts model…

Computation and Language · Computer Science 2025-10-14 Guibin Zhang , Muxin Fu , Shuicheng Yan

In order to reduce the cost of experimental evaluation for agents, we introduce a computational theory of evaluation for mini agents: build evaluation model to accelerate the evaluation procedures. We prove upper bounds of generalized error…

Artificial Intelligence · Computer Science 2025-05-19 Hedong Yan

While there has been a surge of interest in automated scientific discovery (ASD), especially with the emergence of LLMs, it remains challenging for tools to generate hypotheses that are both testable and grounded in the scientific…

Artificial Intelligence · Computer Science 2025-10-02 Rosni Vasu , Peter Jansen , Pao Siangliulue , Cristina Sarasua , Abraham Bernstein , Peter Clark , Bhavana Dalvi Mishra

Randomized A/B tests within online learning platforms represent an exciting direction in learning sciences. With minimal assumptions, they allow causal effect estimation without confounding bias and exact statistical inference even in small…

Methodology · Statistics 2023-06-13 Adam C. Sales , Ethan B. Prihar , Johann A. Gagnon-Bartsch , Neil T. Heffernan

Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic…

Skills are a promising way to improve LLM agent capabilities without retraining, while keeping the added procedure reusable and controllable. However, high-quality skills are still largely written by hand. We introduce SkillGen, a…

Machine Learning · Computer Science 2026-05-13 Yuchen Ma , Yue Huang , Han Bao , Haomin Zhuang , Swadheen Shukla , Michel Galley , Xiangliang Zhang , Stefan Feuerriegel

Agentic systems are becoming more capable: agents define strategies, take actions, and interact with different environments. This autonomy poses serious challenges for overseeing and assessing agent behavior. Most current tools are limited,…

Computation and Language · Computer Science 2026-05-22 Asaf Yehudai , Lilach Eden , Michal Shmueli-Scheuer

How should an agent decide when and how to plan? A dominant approach builds agents as reactive policies with adaptive computation (e.g., chain-of-thought), trained end-to-end expecting planning to emerge implicitly. Without control over the…

Artificial Intelligence · Computer Science 2026-05-22 Mingkai Deng , Jinyu Hou , Lara Sá Neves , Varad Pimpalkhute , Taylor W. Killian , Zhengzhong Liu , Eric P. Xing

Drug discovery remains a formidable challenge: more than 90 percent of candidate molecules fail in clinical evaluation, and development costs often exceed one billion dollars per approved therapy. Disparate data streams, from genomics and…

Artificial Intelligence · Computer Science 2025-04-28 Kevin Song , Andrew Trotter , Jake Y. Chen

Large language models (LLMs) have evolved into agentic systems capable of autonomous tool use and multi-step reasoning for complex problem-solving. However, post-training approaches building upon general-purpose foundation models…

There is widespread optimism that frontier Large Language Models (LLMs) and LLM-augmented systems have the potential to rapidly accelerate scientific discovery across disciplines. Today, many benchmarks exist to measure LLM knowledge and…

Informal mathematics has been central to modern large language model (LLM) reasoning, offering flexibility and enabling efficient construction of arguments. However, purely informal reasoning is prone to logical gaps and subtle errors that…

Artificial Intelligence · Computer Science 2025-11-25 Azim Ospanov , Zijin Feng , Jiacheng Sun , Haoli Bai , Xin Shen , Farzan Farnia

Trustworthiness and transparency are essential for the clinical adoption of artificial intelligence (AI) in healthcare and biomedical research. Recent deep research systems aim to accelerate evidence-grounded scientific discovery by…

We present an autonomous framework that leverages Large Language Models (LLMs) to automate end-to-end business analysis and market report generation. At its core, the system employs specialized agents - Researcher, Reviewer, Writer, and…

Computation and Language · Computer Science 2025-08-05 Roman Koshkin , Pengyu Dai , Nozomi Fujikawa , Masahito Togami , Marco Visentini-Scarzanella

Scientific discovery relies on scientists generating novel hypotheses that undergo rigorous experimental validation. To augment this process, we introduce an AI co-scientist, a multi-agent system built on Gemini 2.0. The AI co-scientist is…

We study predictive multilingual evaluation: estimating how well a model will perform on a task in a target language when direct benchmark results are missing. This problem is common in multilingual deployment, where evaluation coverage is…

Computation and Language · Computer Science 2026-04-13 Avni Mittal , Shanu Kumar , Sandipan Dandapat , Monojit Choudhury

Attrition in survey and field experiments presents a challenge for social science research. Common approaches to deal with this problem -- such as complete case analysis, multiple imputation, and weighting methods -- rely on strong…

Methodology · Statistics 2026-04-13 Xiangyu Song
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