English
Related papers

Related papers: Mozi: Governed Autonomy for Drug Discovery LLM Age…

200 papers

Multimodal Large Language Models (MLLMs) have powered Graphical User Interface (GUI) Agents, showing promise in automating tasks on computing devices. Recent works have begun exploring reasoning in GUI tasks with encouraging results.…

Artificial Intelligence · Computer Science 2025-04-22 Yuhang Liu , Pengxiang Li , Congkai Xie , Xavier Hu , Xiaotian Han , Shengyu Zhang , Hongxia Yang , Fei Wu

Large Language Models (LLMs) can be seen as compressed knowledge bases, but it remains unclear what knowledge they truly contain and how far their knowledge boundary extends. Existing benchmarks are mostly static and provide limited support…

Machine Learning · Computer Science 2026-05-27 Yuheng Yang , Siqi Zhu , Tao Feng , Ge Liu , Jiaxuan You

Recent mechanistic studies suggest that large language models (LLMs) may utilize their depth inefficiently in standard single-turn tasks. Whether this still holds in autonomous agent settings, where models must perform multi-turn planning,…

Artificial Intelligence · Computer Science 2026-05-28 Zhenyu Cui , Xiangzhong Luo

Artificial Intelligence (AI) has become essential in modern healthcare, with large language models (LLMs) offering promising advances in clinical decision-making. Traditional model-based approaches, including those leveraging in-context…

Agentic AI represents a major shift in how autonomous systems reason, plan, and execute multi-step tasks through the coordination of Large Language Models (LLMs), Vision Language Models (VLMs), tools, and external services. While these…

Reasoning is a fundamental cognitive process underlying inference, problem-solving, and decision-making. While large language models (LLMs) demonstrate strong reasoning capabilities in closed-world settings, they struggle in open-ended and…

Reinforcement learning (RL), large language models (LLMs), and vision-language models (VLMs) have been widely studied in isolation. However, existing infrastructure lacks the ability to deploy agents from different decision-making paradigms…

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in…

Large Language Models (LLMs) are transforming artificial intelligence, enabling autonomous agents to perform diverse tasks across various domains. These agents, proficient in human-like text comprehension and generation, have the potential…

Artificial Intelligence · Computer Science 2024-04-10 Saikat Barua

The rapid progress of Large Language Models (LLMs) has given rise to a new category of autonomous AI systems, referred to as Deep Research (DR) agents. These agents are designed to tackle complex, multi-turn informational research tasks by…

Artificial Intelligence · Computer Science 2025-09-04 Yuxuan Huang , Yihang Chen , Haozheng Zhang , Kang Li , Huichi Zhou , Meng Fang , Linyi Yang , Xiaoguang Li , Lifeng Shang , Songcen Xu , Jianye Hao , Kun Shao , Jun Wang

We present MolLingo, a multi-agent system that emulates the reasoning process of a chemist to automate molecular design. Existing LLM-based approaches either operate as standalone generative models without access to external tools or lack…

Artificial Intelligence · Computer Science 2026-05-28 Thao Nguyen , Heng Ji

Computing has long served as a cornerstone of scientific discovery. Recently, a paradigm shift has emerged with the rise of large language models (LLMs), introducing autonomous systems, referred to as agents, that accelerate discovery…

Multi-agent systems built on large language models (LLMs) require many coordination choices that are difficult to fix a priori: which skill protocol to invoke, which agent role should perform a subtask, which model to bind to each role, how…

Multiagent Systems · Computer Science 2026-05-28 Nicole Koenigstein

Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific…

The emergence of tool-calling-based agent systems introduces a more evidence-driven paradigm for pathology image analysis in contrast to the coarse-grained text-image diagnostic approaches. With the recent large-scale experimental adoption…

Artificial Intelligence · Computer Science 2026-02-24 Haoyang Su , Shaoting Zhang , Xiaosong Wang

Recent progress in multimodal large language models (MLLMs) has demonstrated promising performance on medical benchmarks and in preliminary trials as clinical assistants. Yet, our pilot audit of diagnostic cases uncovers a critical failure…

Artificial Intelligence · Computer Science 2025-09-30 Hongjun Liu , Yinghao Zhu , Yuhui Wang , Yitao Long , Zeyu Lai , Lequan Yu , Chen Zhao

The reasoning capabilities of LLM (Large Language Model) are widely acknowledged in recent research, inspiring studies on tool learning and autonomous agents. LLM serves as the "brain" of the agent, orchestrating multiple tools for…

Machine Learning · Computer Science 2024-03-26 Xiangyan Liu , Rongxue Li , Wei Ji , Tao Lin

Large Language Models (LLMs) have advanced Automated Heuristic Design (AHD) in combinatorial optimization (CO) in the past few years. However, existing discovery pipelines often require extensive manual trial-and-error or reliance on domain…

Neural and Evolutionary Computing · Computer Science 2026-02-19 Mingxin Yu , Ruixiao Yang , Chuchu Fan

Estimating individualized treatment effects from observational data presents a persistent challenge due to unmeasured confounding and structural bias. Causal Machine Learning (causal ML) methods, such as causal trees and doubly robust…

Machine Learning · Computer Science 2025-08-12 Po-Han Lee , Yu-Cheng Lin , Chan-Tung Ku , Chan Hsu , Pei-Cing Huang , Ping-Hsun Wu , Yihuang Kang

Large Language Model (LLM)-based agents have recently shown impressive capabilities in complex reasoning and tool use via multi-step interactions with their environments. While these agents have the potential to tackle complicated tasks,…

Artificial Intelligence · Computer Science 2025-11-04 Jiaye Lin , Yifu Guo , Yuzhen Han , Sen Hu , Ziyi Ni , Licheng Wang , Mingguang Chen , Hongzhang Liu , Ronghao Chen , Yangfan He , Daxin Jiang , Binxing Jiao , Chen Hu , Huacan Wang