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Large Language Model (LLM)-based multi-agent systems (MAS) demonstrate remarkable potential for scientific discovery. Existing approaches, however, often automate scientific discovery using predefined workflows that lack rationality…

机器学习 · 计算机科学 2026-02-10 Yingming Pu , Tao Lin , Hongyu Chen

With the rapid progress of large language models (LLMs), financial information retrieval has become a critical industrial application. Extracting task-relevant information from lengthy financial filings is essential for both operational and…

人工智能 · 计算机科学 2026-04-07 Chun Chet Ng , Jia Yu Lim , Wei Zeng Low

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…

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

Large language models (LLMs) have enabled agentic AI systems for scientific discovery, but most approaches remain limited to textbased reasoning without automated experimental verification. We propose MIND, an LLM-driven framework for…

多智能体系统 · 计算机科学 2026-04-16 Geonhee Ahn , Donghyun Lee , Hayoung Doo , Jonggeol Na , Hyunsoo Cho , Sookyung Kim

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Retrieval plays a central role in multi-hop question answering (QA), where answering complex questions requires gathering multiple pieces of evidence. We introduce an Agentic Retrieval System that leverages large language models (LLMs) in a…

计算与语言 · 计算机科学 2025-10-17 Md Mahadi Hasan Nahid , Davood Rafiei

Rapid identification of candidate materials with target properties has become a key task in materials science. Machine learning has emerged as an alternative to physics-based simulation, offering a faster and cheaper way to filter materials…

人工智能 · 计算机科学 2026-05-19 Claire Schlesinger , Circe Hsu , Peter Schindler , Robin Walters

Scaling LLM-based embodied agents from text-only environments to complex multimodal settings remains a major challenge. Recent work identifies a perception-reasoning-decision gap in standalone Vision-Language Models (VLMs), which often…

Materials discovery and design are essential for advancing technology across various industries by enabling the development of application-specific materials. Recent research has leveraged Large Language Models (LLMs) to accelerate this…

计算与语言 · 计算机科学 2025-02-11 Shrinidhi Kumbhar , Venkatesh Mishra , Kevin Coutinho , Divij Handa , Ashif Iquebal , Chitta Baral

We introduce PRISM, a method for real-time filtering in a probabilistic generative model of agent motion and visual perception. Previous approaches either lack uncertainty estimates for the map and agent state, do not run in real-time, do…

机器学习 · 计算机科学 2022-12-07 Atanas Mirchev , Baris Kayalibay , Ahmed Agha , Patrick van der Smagt , Daniel Cremers , Justin Bayer

Discovering explicit physical laws has traditionally depended on human intuition and domain expertise. Recent advances in artificial intelligence, particularly large language models (LLMs), offer a new route to accelerate this process by…

材料科学 · 物理学 2026-01-30 Bo Hu , Siyu Liu , Beilin Ye , Yun Hao , Yanhui Liu , Yang Lu , Ju Li , David J. Srolovitz , Tongqi Wen

AI-driven materials discovery that couples automated experimentation with algorithmic decision-making requires process aware recipe to property predictors that are accurate, calibrated, and physically admissible. We approach this as a…

In decentralized multiagent trajectory planners, agents need to communicate and exchange their positions to generate collision-free trajectories. However, due to localization errors/uncertainties, trajectory deconfliction can fail even if…

We introduce \prism{} (\textbf{P}robabilistic \textbf{R}etrieval with \textbf{I}nformation-\textbf{S}tratified \textbf{M}emory), an evolutionary memory substrate for multi-agent AI systems engaged in open-ended discovery. \prism{} unifies…

人工智能 · 计算机科学 2026-04-23 Suyash Mishra

Information-seeking is a core capability for AI agents, requiring them to gather and reason over tool-generated information across long trajectories. However, such multi-step information-seeking tasks remain challenging for agents backed by…

人工智能 · 计算机科学 2025-11-25 Jaewoo Lee , Archiki Prasad , Justin Chih-Yao Chen , Zaid Khan , Elias Stengel-Eskin , Mohit Bansal

Molecular property prediction and generative design via deep learning models has been the subject of intense research given its potential to accelerate development of new, high-performance materials. More recently, these workflows have been…

人工智能 · 计算机科学 2024-12-16 Nathaniel H. Park , Tiffany J. Callahan , James L. Hedrick , Tim Erdmann , Sara Capponi

Automating experimental protocol design and execution remains as a fundamental bottleneck in realizing self-driving laboratories. We introduce PRISM (Protocol Refinement through Intelligent Simulation Modeling), a framework that automates…

Inspired by the dual-process theory of human cognition from \textit{Thinking, Fast and Slow}, we introduce \textbf{PRIME} (Planning and Retrieval-Integrated Memory for Enhanced Reasoning), a multi-agent reasoning framework that dynamically…

人工智能 · 计算机科学 2025-11-12 Hieu Tran , Zonghai Yao , Nguyen Luong Tran , Zhichao Yang , Feiyun Ouyang , Shuo Han , Razieh Rahimi , Hong Yu

Materials discovery requires navigating vast chemical and structural spaces while satisfying multiple, often conflicting, objectives. We present LLM-guided Evolution for MAterials discovery (LLEMA), a unified framework that couples the…

机器学习 · 计算机科学 2026-03-06 Nikhil Abhyankar , Sanchit Kabra , Saaketh Desai , Chandan K. Reddy
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