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Leveraging Multi-modal Large Language Models (MLLMs) to accelerate frontier scientific research is promising, yet how to rigorously evaluate such systems remains unclear. Existing benchmarks mainly focus on single-document understanding,…

Artificial Intelligence · Computer Science 2026-04-14 Lei Xiong , Huaying Yuan , Zheng Liu , Zhao Cao , Zhicheng Dou

Deep Research (DR) is an emerging agent application that leverages large language models (LLMs) to address open-ended queries. It requires the integration of several capabilities, including multi-step reasoning, cross-document synthesis,…

Large language models (LLMs) have shown potential in recommendation systems (RecSys) by using them as either knowledge enhancer or zero-shot ranker. A key challenge lies in the large semantic gap between LLMs and RecSys where the former…

Information Retrieval · Computer Science 2025-12-22 Guangneng Hu

Large Language Models (LLMs) show promise in biomedicine but lack true causal understanding, relying instead on correlations. This paper envisions causal LLM agents that integrate multimodal data (text, images, genomics, etc.) and perform…

Artificial Intelligence · Computer Science 2025-05-23 Adib Bazgir , Amir Habibdoust Lafmajani , Yuwen Zhang

The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that…

Artificial Intelligence · Computer Science 2025-10-20 Ed Li , Junyu Ren , Xintian Pan , Cat Yan , Chuanhao Li , Dirk Bergemann , Zhuoran Yang

Large language models (LLMs) are playing an increasingly important role in scientific research, yet there remains a lack of comprehensive benchmarks to evaluate the breadth and depth of scientific knowledge embedded in these models. To…

Computation and Language · Computer Science 2025-10-08 Kehua Feng , Xinyi Shen , Weijie Wang , Xiang Zhuang , Yuqi Tang , Qiang Zhang , Keyan Ding

Autonomous agents have recently achieved remarkable progress across diverse domains, yet most evaluations focus on short-horizon, fully observable tasks. In contrast, many critical real-world tasks, such as large-scale software development,…

The recent surge in research interest in applying large language models (LLMs) to decision-making tasks has flourished by leveraging the extensive world knowledge embedded in LLMs. While there is a growing demand to tailor LLMs for custom…

Machine Learning · Computer Science 2024-12-23 Andrew Zhao , Daniel Huang , Quentin Xu , Matthieu Lin , Yong-Jin Liu , Gao Huang

Current multimodal benchmarks often conflate reasoning with domain-specific knowledge, making it difficult to isolate and evaluate general reasoning abilities in non-expert settings. To address this, we introduce VisualPuzzles, a benchmark…

Computation and Language · Computer Science 2025-05-01 Yueqi Song , Tianyue Ou , Yibo Kong , Zecheng Li , Graham Neubig , Xiang Yue

The convergence of large language models and agents is catalyzing a new era of scientific discovery: Agentic Science. While the scientific method is inherently iterative, existing agent frameworks are predominantly static, narrowly scoped,…

Scientific Machine Learning (SciML) integrates data-driven inference with physical modeling to solve complex problems in science and engineering. However, the design of SciML architectures, loss formulations, and training strategies remains…

Artificial Intelligence · Computer Science 2026-02-17 Qile Jiang , George Karniadakis

Bundle recommendation systems aim to recommend a bundle of items for a user to consider as a whole. They have become a norm in modern life and have been applied to many real-world settings, such as product bundle recommendation, music…

Information Retrieval · Computer Science 2022-05-25 Ming Li , Lin Li , Qing Xie , Jingling Yuan , Xiaohui Tao

Recent advances in large language models (LLMs) have enabled agentic systems that translate natural language intent into executable scientific visualization (SciVis) tasks. Despite rapid progress, the community lacks a principled and…

Understanding how data moves, transforms, and persists, known as data flow, is fundamental to reasoning in procedural tasks. Despite their fluency in natural and programming languages, large language models (LLMs), although increasingly…

Artificial Intelligence · Computer Science 2025-06-02 Vishal Pallagani , Nitin Gupta , John Aydin , Biplav Srivastava

Given the remarkable performance of Large Language Models (LLMs), an important question arises: Can LLMs conduct human-like scientific research and discover new knowledge, and act as an AI scientist? Scientific discovery is an iterative…

Machine Learning · Computer Science 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

Designing de novo proteins beyond those found in nature holds significant promise for advancements in both scientific and engineering applications. Current methodologies for protein design often rely on AI-based models, such as surrogate…

Soft Condensed Matter · Physics 2024-02-08 A. Ghafarollahi , M. J. Buehler

Accurate crop disease diagnosis is essential for sustainable agriculture and global food security. Existing methods, which primarily rely on unimodal models such as image-based classifiers and object detectors, are limited in their ability…

Computer Vision and Pattern Recognition · Computer Science 2025-09-23 Mingqing Zhang , Zhuoning Xu , Peijie Wang , Rongji Li , Liang Wang , Qiang Liu , Jian Xu , Xuyao Zhang , Shu Wu , Liang Wang

Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains…

Computation and Language · Computer Science 2025-10-09 Yixin Ou , Yujie Luo , Jingsheng Zheng , Lanning Wei , Zhuoyun Yu , Shuofei Qiao , Jintian Zhang , Da Zheng , Yuren Mao , Yunjun Gao , Huajun Chen , Ningyu Zhang

Food systems are responsible for a third of human-caused greenhouse gas emissions. We investigate what Large Language Models (LLMs) can contribute to reducing the environmental impacts of food production. We define a typology of design and…

Computers and Society · Computer Science 2025-07-01 Anna T. Thomas , Adam Yee , Andrew Mayne , Maya B. Mathur , Dan Jurafsky , Kristina Gligorić

Modern scientific discovery increasingly requires coordinating distributed facilities and heterogeneous resources, forcing researchers to act as manual workflow coordinators rather than scientists. Advances in AI leading to AI agents show…

Artificial Intelligence · Computer Science 2025-09-15 Woong Shin , Renan Souza , Daniel Rosendo , Frédéric Suter , Feiyi Wang , Prasanna Balaprakash , Rafael Ferreira da Silva
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