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Foundation models (FMs) are catalyzing a transformative shift in materials science (MatSci) by enabling scalable, general-purpose, and multimodal AI systems for scientific discovery. Unlike traditional machine learning models, which are…

Machine Learning · Computer Science 2025-06-27 Minh-Hao Van , Prateek Verma , Chen Zhao , Xintao Wu

Although the power of LLM tool-use agents has ignited a flurry of recent research in this area, the curation of tool-use training data remains an open problem$-$especially for online RL training. Existing approaches to synthetic tool-use…

Machine Learning · Computer Science 2025-09-25 Michael Sullivan , Mareike Hartmann , Alexander Koller

Recent years have seen increasing employment of decision intelligence in electronic design automation (EDA), which aims to reduce the manual efforts and boost the design closure process in modern toolflows. However, existing approaches…

Hardware Architecture · Computer Science 2023-05-25 Walter Lau Neto , Yingjie Li , Pierre-Emmanuel Gaillardon , Cunxi Yu

Remarkable progress has been made in automated problem solving through societies of agents based on large language models (LLMs). Computational fluid dynamics (CFD), as a complex problem, presents unique challenges in automated simulations…

Artificial Intelligence · Computer Science 2024-08-08 Yuxuan Chen , Xu Zhu , Hua Zhou , Zhuyin Ren

Language Models (LMs) memorize a vast amount of factual knowledge, exhibiting strong performance across diverse tasks and domains. However, it has been observed that the performance diminishes when dealing with less-popular or low-frequency…

Computation and Language · Computer Science 2024-12-03 Heydar Soudani , Evangelos Kanoulas , Faegheh Hasibi

Multi-turn LLM agents are becoming pivotal to production systems, spanning customer service automation, e-commerce assistance, and interactive task management, where accurately distinguishing high-value informative signals from stochastic…

Artificial Intelligence · Computer Science 2026-02-24 Yangyi Fang , Jiaye Lin , Xiaoliang Fu , Cong Qin , Haolin Shi , Chang Liu , Peilin Zhao

Large language models (LLMs) have shown impressive performance on general-purpose tasks, yet adapting them to specific domains remains challenging due to the scarcity of high-quality domain data. Existing data synthesis tools often struggle…

Computation and Language · Computer Science 2025-07-08 Ziyang Miao , Qiyu Sun , Jingyuan Wang , Yuchen Gong , Yaowei Zheng , Shiqi Li , Richong Zhang

Multiple recent studies have documented large language models' (LLMs) performance on calling external tools/functions. Others focused on LLMs' abilities to handle longer context lengths. At the intersection of these areas lies another…

Mathematical reasoning remains a challenging area for large language models (LLMs), prompting the development of math-specific LLMs such as LLEMMA, DeepSeekMath, and Qwen2-Math, among others. These models typically follow a two-stage…

Computation and Language · Computer Science 2025-03-25 Zui Chen , Tianqiao Liu , Mi Tian , Qing Tong , Weiqi Luo , Zitao Liu

Foundation Models (FMs) have shown remarkable capabilities in various natural language tasks. However, their ability to accurately capture stakeholder requirements remains a significant challenge for using FMs for software development. This…

Software Engineering · Computer Science 2025-05-29 Keheliya Gallaba , Ali Arabat , Dayi Lin , Mohammed Sayagh , Ahmed E. Hassan

Large language model (LLM)-based agents have shown strong capabilities in using external tools to solve complex tasks. However, existing evaluations often overlook the temporal dimension of tool use, especially the impact of tool response…

Artificial Intelligence · Computer Science 2026-05-29 Kou Shi , Ziao Zhang , Shiting Huang , Avery Nie , Zhen Fang , Qiuchen Wang , Lin Chen , Huaian Chen , Zehui Chen , Feng Zhao

In recent years, large language models (LLMs) have demonstrated significant potential in complex reasoning tasks like mathematical problem-solving. However, existing research predominantly relies on reinforcement learning (RL) frameworks…

Machine Learning · Computer Science 2026-01-12 ShaoZhen Liu , Xinting Huang , Houwen Peng , Xin Chen , Xinyang Song , Qi Li , Zhenan Sun

Deep-research agents are capable of executing multi-step web exploration, targeted retrieval, and sophisticated question answering. Despite their powerful capabilities, deep-research agents face two critical bottlenecks: (1) the lack of…

Artificial Intelligence · Computer Science 2026-03-03 Tongzhou Wu , Yuhao Wang , Xinyu Ma , Xiuqiang He , Shuaiqiang Wang , Dawei Yin , Xiangyu Zhao

The success of AI models relies on the availability of large, diverse, and high-quality datasets, which can be challenging to obtain due to data scarcity, privacy concerns, and high costs. Synthetic data has emerged as a promising solution…

Computation and Language · Computer Science 2024-08-13 Ruibo Liu , Jerry Wei , Fangyu Liu , Chenglei Si , Yanzhe Zhang , Jinmeng Rao , Steven Zheng , Daiyi Peng , Diyi Yang , Denny Zhou , Andrew M. Dai

This paper presents a novel multi-agent system called Chat-of-Thought, designed to facilitate the generation of Failure Modes and Effects Analysis (FMEA) documents for industrial assets. Chat-of-Thought employs multiple collaborative Large…

Computation and Language · Computer Science 2025-06-13 Christodoulos Constantinides , Shuxin Lin , Nianjun Zhou , Dhaval Patel

Large language models (LLMs) demonstrate strong potential as agents for tool invocation due to their advanced comprehension and planning capabilities. Users increasingly rely on LLM-based agents to solve complex missions through iterative…

Artificial Intelligence · Computer Science 2025-04-17 Peijie Yu , Yifan Yang , Jinjian Li , Zelong Zhang , Haorui Wang , Xiao Feng , Feng Zhang

While recent advances in reasoning models have demonstrated cognitive behaviors through reinforcement learning, existing approaches struggle to invoke deep reasoning capabilities in multi-turn agents with long-horizon interactions. We…

Computation and Language · Computer Science 2025-10-10 Qiaoyu Tang , Hao Xiang , Le Yu , Bowen Yu , Yaojie Lu , Xianpei Han , Le Sun , WenJuan Zhang , Pengbo Wang , Shixuan Liu , Zhenru Zhang , Jianhong Tu , Hongyu Lin , Junyang Lin

The aim of multi-agent reinforcement learning systems is to provide interacting agents with the ability to collaboratively learn and adapt to the behavior of other agents. In many real-world applications, the agents can only acquire a…

Artificial Intelligence · Computer Science 2019-10-10 Mingyang Geng , Kele Xu , Yiying Li , Shuqi Liu , Bo Ding , Huaimin Wang

Large language models (LLMs) are widely used in retrieval-augmented generation (RAG) to incorporate external knowledge at inference time. However, when retrieved contexts are noisy, incomplete, or heterogeneous, a single generation process…

Computation and Language · Computer Science 2026-04-22 Xingchen Xiao , Heyan Huang , Runheng Liu , Jincheng Xie

As modern data pipelines continue to collect, produce, and store a variety of data formats, extracting and combining value from traditional and context-rich sources such as strings, text, video, audio, and logs becomes a manual process…

Databases · Computer Science 2023-12-05 Viktor Sanca , Anastasia Ailamaki
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