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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…

Molecular dynamics (MD) simulations are essential for understanding atomic-scale behaviors in materials science, yet writing LAMMPS scripts remains highly specialized and time-consuming tasks. Although LLMs show promise in code generation…

Computational Engineering, Finance, and Science · Computer Science 2026-02-09 Zhuofan Shi , Hubao A , Yufei Shao , Dongliang Huang , Hongxu An , Chunxiao Xin , Haiyang Shen , Zhenyu Wang , Yunshan Na , Gang Huang , Xiang Jing

The promise of generative AI to revolutionize education is constrained by the pedagogical limits of large language models (LLMs). A major issue is the lack of access to high-quality training data that reflect the learning of actual…

Computation and Language · Computer Science 2025-10-07 Janos Perczel , Jin Chow , Dorottya Demszky

Recommender systems have traditionally followed modular architectures comprising candidate generation, multi-stage ranking, and re-ranking, each trained separately with supervised objectives and hand-engineered features. While effective in…

Information Retrieval · Computer Science 2025-10-06 Rahul Raja , Anshaj Vats , Arpita Vats , Anirban Majumder

Despite the success, the process of fine-tuning large-scale PLMs brings prohibitive adaptation costs. In fact, fine-tuning all the parameters of a colossal model and retaining separate instances for different tasks are practically…

Reasoning is a key component of language understanding in Large Language Models. While Chain-of-Thought prompting enhances performance via explicit intermediate steps, it suffers from sufficient token overhead and a fixed reasoning…

Computation and Language · Computer Science 2025-11-18 Xinyuan Wang , Dongjie Wang , Wangyang Ying , Haoyue Bai , Nanxu Gong , Sixun Dong , Kunpeng Liu , Yanjie Fu

Large Action Models (LAMs) for AI Agents offer incredible potential but face challenges due to the need for high-quality training data, especially for multi-steps tasks that involve planning, executing tool calls, and responding to…

Recent advances have shown that optimizing prompts for Large Language Models (LLMs) can significantly improve task performance, yet many optimization techniques rely on heuristics or manual exploration. We present LatentPrompt, a…

Computation and Language · Computer Science 2025-08-05 Mateusz Bystroński , Grzegorz Piotrowski , Nitesh V. Chawla , Tomasz Kajdanowicz

Configuration optimization remains a critical bottleneck in machine learning, requiring coordinated tuning across model architecture, training strategy, feature engineering, and hyperparameters. Traditional approaches treat these dimensions…

Artificial Intelligence · Computer Science 2025-08-22 Yuxing Lu , Yucheng Hu , Nan Sun , Xukai Zhao

Large Language Model (LLM) agents are rapidly improving to handle increasingly complex web-based tasks. Most of these agents rely on general-purpose, proprietary models like GPT-4 and focus on designing better prompts to improve their…

Computation and Language · Computer Science 2024-12-06 Junhong Shen , Atishay Jain , Zedian Xiao , Ishan Amlekar , Mouad Hadji , Aaron Podolny , Ameet Talwalkar

Post-training of Large Language Models (LLMs) is crucial for unlocking their task generalization potential and domain-specific capabilities. However, the current LLM post-training paradigm faces significant data challenges, including the…

Computation and Language · Computer Science 2025-10-31 Junyu Luo , Bohan Wu , Xiao Luo , Zhiping Xiao , Yiqiao Jin , Rong-Cheng Tu , Nan Yin , Yifan Wang , Jingyang Yuan , Wei Ju , Ming Zhang

Autonomous agents have long been a prominent research focus in both academic and industry communities. Previous research in this field often focuses on training agents with limited knowledge within isolated environments, which diverges…

Artificial Intelligence · Computer Science 2025-03-04 Lei Wang , Chen Ma , Xueyang Feng , Zeyu Zhang , Hao Yang , Jingsen Zhang , Zhiyuan Chen , Jiakai Tang , Xu Chen , Yankai Lin , Wayne Xin Zhao , Zhewei Wei , Ji-Rong Wen

Large language models (LLMs) and agent techniques have brought a fundamental shift in the functionality and development paradigm of data analysis tasks (a.k.a LLM/Agent-as-Data-Analyst), demonstrating substantial impact across both academia…

The large language model (LLM) is typically integrated into the mainstream optimization protocol. No work has questioned whether maintaining the model integrity is \textit{indispensable} for promising performance. In this work, we introduce…

Computation and Language · Computer Science 2026-03-17 Mingyuan Zhang , Yue Bai , Huan Wang , Yizhou Wang , Qihua Dong , Yitian Zhang , Yun Fu

Recent advances in large language models (LLMs) transform how machine learning (ML) pipelines are developed and evaluated. LLMs enable a new type of workload, agentic pipeline search, in which autonomous or semi-autonomous agents generate,…

Databases · Computer Science 2026-03-06 Arnab Phani , Elias Strauss , Sebastian Schelter

Researchers and practitioners have recently reframed powerful Large Language Models (LLMs) as agents, enabling them to automate complex tasks largely via the use of specialized functions. To facilitate the development of LLM agents, we…

Artificial Intelligence · Computer Science 2024-08-01 Shaokun Zhang , Jieyu Zhang , Jiale Liu , Linxin Song , Chi Wang , Ranjay Krishna , Qingyun Wu

Training models to act as agents that can effectively navigate and perform actions in a complex environment, such as a web browser, has typically been challenging due to lack of training data. Large language models (LLMs) have recently…

Large Language Models (LLMs) have revolutionized the field of Natural Language Processing (NLP) by automating traditional labor-intensive tasks and consequently accelerated the development of computer-aided applications. As researchers…

Computation and Language · Computer Science 2025-06-24 Summra Saleem , Muhammad Nabeel Asim , Shaista Zulfiqar , Andreas Dengel

This research investigates the application of Large Language Models (LLMs) to augment conversational agents in process mining, aiming to tackle its inherent complexity and diverse skill requirements. While LLM advancements present novel…

Artificial Intelligence · Computer Science 2023-07-20 Urszula Jessen , Michal Sroka , Dirk Fahland

Large Language Models (LLMs) have emerged as integral tools for reasoning, planning, and decision-making, drawing upon their extensive world knowledge and proficiency in language-related tasks. LLMs thus hold tremendous potential for…

Artificial Intelligence · Computer Science 2024-05-24 Xudong Guo , Kaixuan Huang , Jiale Liu , Wenhui Fan , Natalia Vélez , Qingyun Wu , Huazheng Wang , Thomas L. Griffiths , Mengdi Wang
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