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Evaluating mathematical capabilities is critical for assessing the overall performance of large language models (LLMs). However, existing evaluation methods often focus solely on final answers, resulting in highly inaccurate and…

人工智能 · 计算机科学 2025-03-14 Shu-Xun Yang , Cunxiang Wang , Yidong Wang , Xiaotao Gu , Minlie Huang , Jie Tang

We introduce LEGOMem, a modular procedural memory framework for multi-agent large language model (LLM) systems in workflow automation. LEGOMem decomposes past task trajectories into reusable memory units and flexibly allocates them across…

人工智能 · 计算机科学 2025-10-07 Dongge Han , Camille Couturier , Daniel Madrigal Diaz , Xuchao Zhang , Victor Rühle , Saravan Rajmohan

To fully expedite AI-powered chemical research, high-quality chemical databases are the foundation. Automatic extraction of chemical information from the literature is essential for constructing reaction databases, but it is currently…

人工智能 · 计算机科学 2026-03-09 Yufan Chen , Ching Ting Leung , Bowen Yu , Jianwei Sun , Yong Huang , Linyan Li , Hao Chen , Hanyu Gao

Large Language Models (LLMs) have demonstrated the ability to solve a wide range of practical tasks within multi-agent systems. However, existing human-designed multi-agent frameworks are typically limited to a small set of pre-defined…

人工智能 · 计算机科学 2025-07-31 Yaolun Zhang , Xiaogeng Liu , Chaowei Xiao

Large language models (LLMs) have shown great progress in responding to user questions, allowing for a multitude of diverse applications. Yet, the quality of LLM outputs heavily depends on the prompt design, where a good prompt might enable…

计算与语言 · 计算机科学 2025-04-16 Yuchi Liu , Jaskirat Singh , Gaowen Liu , Ali Payani , Liang Zheng

Large Language Model agents are reshaping the industrial landscape. However, most practical agents remain human-designed because tasks differ widely, making them labor-intensive to build. This situation poses a central question: can we…

人工智能 · 计算机科学 2026-04-29 Zhezheng Hao , Hong Wang , Jian Luo , Jianqing Zhang , Yuyan Zhou , Qiang Lin , Can Wang , Hande Dong , Jiawei Chen

Traditional Data+AI systems utilize data-driven techniques to optimize performance, but they rely heavily on human experts to orchestrate system pipelines, enabling them to adapt to changes in data, queries, tasks, and environments. For…

数据库 · 计算机科学 2025-07-03 Zhaoyan Sun , Jiayi Wang , Xinyang Zhao , Jiachi Wang , Guoliang Li

This paper introduces a multi-agent application system designed to enhance office collaboration efficiency and work quality. The system integrates artificial intelligence, machine learning, and natural language processing technologies,…

人工智能 · 计算机科学 2025-04-08 Songtao Sun , Jingyi Li , Yuanfei Dong , Haoguang Liu , Chenxin Xu , Fuyang Li , Qiang Liu

Workflows play a crucial role in enhancing enterprise efficiency by orchestrating complex processes with multiple tools or components. However, hand-crafted workflow construction requires expert knowledge, presenting significant technical…

计算与语言 · 计算机科学 2025-03-31 Hanchao Liu , Rongjun Li , Weimin Xiong , Ziyu Zhou , Wei Peng

We introduce ColPackAgent, an agent framework that autonomously runs Monte Carlo simulations of colloidal packing through a Model Context Protocol (MCP) tool server and an agent skill, whether as a standalone agent or inside an existing…

人工智能 · 计算机科学 2026-05-18 Lijie Ding , Changwoo Do

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…

We introduce SWE-Bench Pro, a substantially more challenging benchmark that builds upon the best practices of SWE-BENCH [25], but is explicitly designed to capture realistic, complex, enterprise-level problems beyond the scope of SWE-BENCH.…

Computational materials science and chemistry span vast knowledge domains and fractured software ecosystems. Although large language models (LLMs) have demonstrated research capabilities, scaling monolithic agents to manage the rigor and…

Hierarchical Multi-Agent Systems provide convenient and relevant ways to analyze, model, and simulate complex systems composed of a large number of entities that interact at different levels of abstraction. In this paper, we introduce…

机器学习 · 计算机科学 2022-04-27 Ahmad Esmaeili , John C. Gallagher , John A. Springer , Eric T. Matson

Algorithm selection and hyperparameter tuning are critical steps in both academic and applied machine learning. On the other hand, these steps are becoming ever increasingly delicate due to the extensive rise in the number, diversity, and…

机器学习 · 计算机科学 2023-09-15 Ahmad Esmaeili , Julia T. Rayz , Eric T. Matson

Engineering problem solving is central to real-world decision-making, requiring mathematical formulations that not only represent complex problems but also produce feasible solutions under data and physical constraints. Unlike mathematical…

人工智能 · 计算机科学 2026-05-05 Xiyuan Zhou , Ruixi Zou , Xinlei Wang , Yuheng Cheng , Yan Xu , Junhua Zhao , Jinjin Gu

Large Language Model (LLM) based multi-agent systems (MAS) have shown promise in tackling complex tasks, but often rely on predefined roles and centralized coordination, limiting their adaptability to evolving challenges. This paper…

人工智能 · 计算机科学 2025-09-04 Siyuan Lu , Jiaqi Shao , Bing Luo , Tao Lin

Developing machine learning interatomic potentials (MLIPs) for complex materials systems remains challenging because it requires expertise in atomistic simulations, machine learning, and workflow design, as well as iterative active learning…

机器学习 · 计算机科学 2026-05-15 Wenwen Li , Yuki Orimo , Nontawat Charoenphakdee

Agentic systems enable the intelligent use of research tooling, augmenting a researcher's ability to investigate and propose novel solutions to existing problems. Within Additive Manufacturing (AM), alloy selection and evaluation remains a…

人工智能 · 计算机科学 2026-01-27 Peter Pak , Achuth Chandrasekhar , Amir Barati Farimani

In flexible assembly systems, existing task planning methods require a time-consuming configuration process by multiple experts to establish a production line for a new product. To address this challenge, we propose a multi-agent based task…

机器人学 · 计算机科学 2026-05-12 Chenhao Zhang , Chaoran Zhang , Zhaobo Xu , Yongbo Yang , Pingfa Feng , Long Zeng