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Since the advent of large language models (LLMs), research has focused on instruction following and deductive reasoning. A central question remains: can these models discover new knowledge, and how can we evaluate this ability? We address…

计算与语言 · 计算机科学 2025-09-30 Kaiyu He , Peilin Wu , Mian Zhang , Kun Wan , Wentian Zhao , Xinya Du , Zhiyu Chen

Large language models (LLMs) are transforming the way information is retrieved with vast amounts of knowledge being summarized and presented via natural language conversations. Yet, LLMs are prone to highlight the most frequently seen…

计算与语言 · 计算机科学 2024-02-20 Julien Delile , Srayanta Mukherjee , Anton Van Pamel , Leonid Zhukov

The paper introduces a framework for the evaluation of the encoding of factual scientific knowledge, designed to streamline the manual evaluation process typically conducted by domain experts. Inferring over and extracting information from…

计算与语言 · 计算机科学 2024-10-21 Magdalena Wysocka , Oskar Wysocki , Maxime Delmas , Vincent Mutel , Andre Freitas

Alignment of large language models (LLMs) with human preferences typically relies on supervised reward models or external judges that demand abundant annotations. However, in fields that rely on professional knowledge, such as medicine and…

人工智能 · 计算机科学 2025-11-18 Yiyang Zhao , Huiyu Bai , Xuejiao Zhao

We introduce AbGen, the first benchmark designed to evaluate the capabilities of LLMs in designing ablation studies for scientific research. AbGen consists of 1,500 expert-annotated examples derived from 807 NLP papers. In this benchmark,…

计算与语言 · 计算机科学 2025-07-18 Yilun Zhao , Weiyuan Chen , Zhijian Xu , Manasi Patwardhan , Yixin Liu , Chengye Wang , Lovekesh Vig , Arman Cohan

Systems biology seeks to create math models of biological systems to reduce inherent biological complexity and provide predictions for applications such as therapeutic development. However, it remains a challenge to determine which math…

定量方法 · 定量生物学 2022-08-05 Vincent D. Zaballa , Elliot E. Hui

Large language models (LLMs) increasingly help people solve problems, from debugging code to repairing machinery. This process requires generating plausible hypotheses from partial descriptions, then updating them as more information…

机器学习 · 计算机科学 2026-05-08 Hua-Dong Xiong

Large Language Models (LLMs) have achieved impressive progress in natural language processing, but their limited ability to retain long-term context constrains performance on document-level or multi-turn tasks. Retrieval-Augmented…

计算与语言 · 计算机科学 2025-05-20 Zhangyu Wang , Siyuan Gao , Rong Zhou , Hao Wang , Li Ning

Predicting cellular responses to genetic perturbations represents a fundamental challenge in systems biology, critical for advancing therapeutic discovery and virtual cell modeling. While large language models (LLMs) show promise for…

Drug discovery remains a formidable challenge: more than 90 percent of candidate molecules fail in clinical evaluation, and development costs often exceed one billion dollars per approved therapy. Disparate data streams, from genomics and…

人工智能 · 计算机科学 2025-04-28 Kevin Song , Andrew Trotter , Jake Y. Chen

The rapid advancement of large language models (LLMs) has opened new boundaries in the extraction and synthesis of medical knowledge, particularly within evidence synthesis. This paper reviews the state-of-the-art applications of LLMs in…

Large decoder-only language models (LLMs) have achieved remarkable success in generation and reasoning tasks, where they generate text responses given instructions. However, many applications, e.g., retrieval augmented generation (RAG),…

计算与语言 · 计算机科学 2025-06-06 Caojin Zhang , Qiang Zhang , Ke Li , Sai Vidyaranya Nuthalapati , Benyu Zhang , Jason Liu , Serena Li , Lizhu Zhang , Xiangjun Fan

Molecular generation and molecular property prediction are both crucial for drug discovery, but they are often developed independently. Inspired by recent studies, which demonstrate that diffusion model, a prominent generative approach, can…

机器学习 · 计算机科学 2025-04-07 Shikun Feng , Yuyan Ni , Yan Lu , Zhi-Ming Ma , Wei-Ying Ma , Yanyan Lan

Evolutionary model merging provides a powerful framework for the automated, training-free composition of LLMs through parameter-space search. However, existing methods predominantly rely on stochastic, hand-crafted operators that overlook…

神经与进化计算 · 计算机科学 2026-05-29 Tao Jiang , Xinmeng Yu , Chenhao Yi , Yiling Wu , Yan Li , Ran Cheng , Dongmei Jiang , Jianguo Zhang

In this article, we evaluate four Large Language Models (LLMs) and their effectiveness at retrieving data within a specialized Retrieval-Augmented Generation (RAG) system, using a comprehensive food composition database. Our method is…

计算与语言 · 计算机科学 2026-03-12 Maks Požarnik Vavken , Matevž Ogrinc , Tome Eftimov , Barbara Koroušić Seljak

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…

机器学习 · 计算机科学 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

The use of generative artificial intelligence (AI) models is becoming ubiquitous in many fields. Though progress continues to be made, general purpose large language AI models (LLM) show a tendency to deliver creative answers, often called…

This paper addresses the estimation of parameters of a Bayesian network from incomplete data. The task is usually tackled by running the Expectation-Maximization (EM) algorithm several times in order to obtain a high log-likelihood…

机器学习 · 计算机科学 2015-03-19 Giorgio Corani , Cassio P. De Campos

Large language models (LLMs) have shown strong ability in generating rich representations across domains such as natural language processing and generation, computer vision, and multimodal learning. However, their application in biomedical…

基因组学 · 定量生物学 2025-09-30 Luxuan Zhang , Douglas Jiang , Qinglong Wang , Haoqi Sun , Feng Tian

Learning the dynamics of a physical system wherein an autonomous agent operates is an important task. Often these systems present apparent geometric structures. For instance, the trajectories of a robotic manipulator can be broken down into…

系统与控制 · 电气工程与系统科学 2021-04-08 Philippe Hansen-Estruch , Wenling Shang , Lerrel Pinto , Pieter Abbeel , Stas Tiomkin