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Multi-document (MD) processing is crucial for LLMs to handle real-world tasks such as summarization and question-answering across large sets of documents. While LLMs have improved at processing long inputs, MD contexts still present unique…

Computation and Language · Computer Science 2025-04-30 Gabrielle Kaili-May Liu , Bowen Shi , Avi Caciularu , Idan Szpektor , Arman Cohan

Large language models (LLMs) have brought exciting new advances to mobile UI agents, a long-standing research field that aims to complete arbitrary natural language tasks through mobile UI interactions. However, existing UI agents usually…

Artificial Intelligence · Computer Science 2025-05-07 Hao Wen , Shizuo Tian , Borislav Pavlov , Wenjie Du , Yixuan Li , Ge Chang , Shanhui Zhao , Jiacheng Liu , Yunxin Liu , Ya-Qin Zhang , Yuanchun Li

Deep learning (DL) has revolutionized areas such as computer vision, natural language processing, and more. However, developing DL systems is challenging due to the complexity of DL workflows. Large Language Models (LLMs), such as GPT,…

Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences, where reliability and reproducibility are crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably…

Computation and Language · Computer Science 2024-10-11 Yuan Chiang , Elvis Hsieh , Chia-Hong Chou , Janosh Riebesell

Large language models (LLMs) have revolutionized text-based code automation, but their potential in graph-oriented engineering workflows remains under-explored. We introduce SimuAgent, an LLM-powered modeling and simulation agent tailored…

Artificial Intelligence · Computer Science 2026-01-09 Yanchang Liang , Xiaowei Zhao

In the era of large language models (LLMs), code benchmarks have become an important research area in software engineering and are widely used by practitioners. These benchmarks evaluate the performance of LLMs on specific code-related…

Software Engineering · Computer Science 2025-06-24 Zhiyuan Pan , Xing Hu , Xin Xia , Xiaohu Yang

This study presents the LLM-Agent-Controller, a multi-agent large language model (LLM) system developed to address a wide range of problems in control engineering (Control Theory). The system integrates a central controller agent with…

Artificial Intelligence · Computer Science 2025-05-27 Rasoul Zahedifar , Sayyed Ali Mirghasemi , Mahdieh Soleymani Baghshah , Alireza Taheri

While large language models (LLMs) have been widely applied to code generation, they struggle with generating entire deep learning projects, which are characterized by complex structures, longer functions, and stronger reliance on domain…

Software Engineering · Computer Science 2025-04-22 Chen Xie , Mingsheng Jiao , Xiaodong Gu , Beijun Shen

Large Language Models (LLMs), particularly Code LLMs, have demonstrated impressive performance in code generation. Current research primarily focuses on the correctness of generated code, while efficiency remains less explored. Recent works…

Software Engineering · Computer Science 2025-02-27 Tong Ye , Weigang Huang , Xuhong Zhang , Tengfei Ma , Peiyu Liu , Jianwei Yin , Wenhai Wang

The advent of large language models (LLMs) has paved the way for a new era of programming tools with both significant capabilities and risks, as the generated code lacks guarantees of correctness and reliability. Developers using LLMs…

Programming Languages · Computer Science 2025-01-07 Kyla H. Levin , Kyle Gwilt , Emery D. Berger , Stephen N. Freund

Large Language Models (LLM) are usually fine-tuned to participate in dyadic or two-party dialogues, which can not adapt well to multi-party dialogues (MPD), which hinders their applications in such scenarios including multi-personal…

Computation and Language · Computer Science 2025-06-12 Xiaoyu Wang , Ningyuan Xi , Teng Chen , Qingqing Gu , Yue Zhao , Xiaokai Chen , Zhonglin Jiang , Yong Chen , Luo Ji

Foundation models have made significant strides in various applications, including text-to-image generation, panoptic segmentation, and natural language processing. This paper presents Instruct2Act, a framework that utilizes Large Language…

Robotics · Computer Science 2023-05-25 Siyuan Huang , Zhengkai Jiang , Hao Dong , Yu Qiao , Peng Gao , Hongsheng Li

Large Language Model (LLM)-based agents have shown effectiveness across many applications. However, their use in data science scenarios requiring solving long-term interconnected tasks, dynamic data adjustments and domain expertise remains…

While large language models (LLMs) with Chain-of-Thought (CoT) reasoning excel in mathematics and coding, their potential for systematic reasoning in chemistry, a domain demanding rigorous structural analysis for real-world tasks like drug…

Artificial Intelligence · Computer Science 2026-01-08 Hao Li , He Cao , Bin Feng , Yanjun Shao , Xiangru Tang , Zhiyuan Yan , Li Yuan , Yonghong Tian , Yu Li

Molecular Dynamics (MD) simulation is widely used to analyze the properties of molecules and materials. Most practical applications, such as comparison with experimental measurements, designing drug molecules, or optimizing materials, rely…

Chemical Physics · Physics 2018-12-20 Frank Noé

Large Language Models (LLMs) have made significant strides in code generation and problem solving. Current approaches employ external tool-based iterative debuggers that use compiler or other tool-based runtime feedback to refine coarse…

Computation and Language · Computer Science 2026-04-28 Md. Ashraful Islam , Mohammed Eunus Ali , Md Rizwan Parvez

We introduce MedAgentGym, a scalable and interactive training environment designed to enhance coding-based biomedical reasoning capabilities in large language model (LLM) agents. MedAgentGym comprises 72,413 task instances across 129…

Molecular dynamics (MD) is a powerful tool for exploring the behavior of atomistic systems, but its reliance on sequential numerical integration limits simulation efficiency. We present a novel neural network architecture, MDtrajNet, and a…

Chemical Physics · Physics 2026-03-17 Fuchun Ge , Yuxinxin Chen , Pavlo O. Dral

Model-driven engineering (MDE) simplifies software development through abstraction, yet challenges such as time constraints, incomplete domain understanding, and adherence to syntactic constraints hinder the design process. This paper…

Software Engineering · Computer Science 2024-10-17 Meriem Ben Chaaben , Lola Burgueño , Istvan David , Houari Sahraoui
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