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Multimodal large language models (MLLMs) have shown promising reasoning abilities, yet evaluating their performance in specialized domains remains challenging. STEM reasoning is a particularly valuable testbed because it provides highly…

计算机视觉与模式识别 · 计算机科学 2026-05-11 Jing Jin , Hao Liu , Yan Bai , Yihang Lou , Zhenke Wang , Tianrun Yuan , Juntong Chen , Yongkang Zhu , Fanhu Zeng , Xuanyu Zhu , Tao Feng , Yige Xu

Current deep learning approaches for physiological signal monitoring suffer from static topologies and constant energy consumption. We introduce SGEMAS (Self-Growing Ephemeral Multi-Agent System), a bio-inspired architecture that treats…

神经与进化计算 · 计算机科学 2025-12-18 Mustapha Hamdi

The presented previously indirect optimization method (IOM) developed within biochemical systems theory (BST) provides a versatile and mathematically tractable optimization strategy for biochemical systems. However, due to the local…

定量方法 · 定量生物学 2007-06-13 Gongxian Xu , Cheng Shao , Zhilong Xiu

This paper presents the development and application of a Large Language Model Retrieval-Augmented Generation (LLM-RAG) system tailored for nanotechnology research. The system leverages the capabilities of a sophisticated language model to…

An activity fundamental to science is building mathematical models. These models are used to both predict the results of future experiments and gain insight into the structure of the system under study. We present an algorithm that…

数据分析、统计与概率 · 物理学 2015-06-04 D. J. A. Hills , A. M. Grütter , J. J. Hudson

Long-term conversational large language model (LLM) agents require memory systems that can recover relevant evidence from historical interactions without overwhelming the answer stage with irrelevant context. However, existing memory…

计算与语言 · 计算机科学 2026-04-23 Shuqi Cao , Jingyi He , Fei Tan

Error detection (ED), which aims to identify incorrect or inconsistent cell values in tabular data, is important for ensuring data quality. Recent state-of-the-art ED methods leverage the pre-trained knowledge and semantic capability…

计算与语言 · 计算机科学 2025-12-09 Mengqi Wang , Jianwei Wang , Qing Liu , Xiwei Xu , Zhenchang Xing , Liming Zhu , Wenjie Zhang

Drug repurposing is often framed as a candidate identification task, but existing approaches provide limited guidance for distinguishing biologically plausible candidates from historically well-connected ones. Here we introduce DrugKLM, a…

Designing high-performance system heuristics is a creative, iterative process requiring experts to form hypotheses and execute multi-step conceptual shifts. While Large Language Models (LLMs) show promise in automating this loop, they…

人工智能 · 计算机科学 2026-03-24 Pantea Karimi , Kimia Noorbakhsh , Mohammad Alizadeh , Hari Balakrishnan

Understanding the world and explaining it with scientific theories is a central aspiration of artificial intelligence research. Proposing theories, designing experiments to test them, and then revising them based on data are fundamental to…

Large language models (LLMs) have demonstrated broad utility across molecular domains, spanning drug discovery and materials design. Analyzing LLMs' latent representations is crucial for elucidating their underlying mechanisms, improving…

机器学习 · 计算机科学 2026-02-03 Zhuoran Li , Xu Sun , Wanyu Lin , Jiannong Cao

We apply logic-based machine learning techniques to facilitate cellular engineering and drive biological discovery, based on comprehensive databases of metabolic processes called genome-scale metabolic network models (GEMs). Predicted host…

人工智能 · 计算机科学 2024-11-14 Lun Ai , Stephen H. Muggleton , Shi-shun Liang , Geoff S. Baldwin

Equation discovery is aimed at directly extracting physical laws from data and has emerged as a pivotal research domain. Previous methods based on symbolic mathematics have achieved substantial advancements, but often require the design of…

机器学习 · 计算机科学 2024-07-23 Mengge Du , Yuntian Chen , Zhongzheng Wang , Longfeng Nie , Dongxiao Zhang

We introduce a framework, which we denote as the augmented estimate sequence, for deriving fast algorithms with provable convergence guarantees. We use this framework to construct a new first-order scheme, the Accelerated Composite Gradient…

最优化与控制 · 数学 2019-04-24 Mihai I. Florea , Sergiy A. Vorobyov

Conventional predictive modeling of parametric relationships in manufacturing processes is limited by the subjectivity of human expertise and intuition on the one hand and by the cost and time of experimental data generation on the other…

计算与语言 · 计算机科学 2025-06-26 Kiarash Naghavi Khanghah , Anandkumar Patel , Rajiv Malhotra , Hongyi Xu

Constraint based methods, such as the Flux Balance Analysis, are widely used to model cellular growth processes without relying on extensive information on the regulatory features. The regulation is instead substituted by an optimization…

最优化与控制 · 数学 2017-06-14 Henning Lindhorst , Sergio Lucia , Rolf Findeisen , Steffen Waldherr

Automation is one of the cornerstones of contemporary material discovery. Bayesian optimization (BO) is an essential part of such workflows, enabling scientists to leverage prior domain knowledge into efficient exploration of a large…

Large language models (LLMs) have significantly advanced the field of natural language generation. However, they frequently generate unverified outputs, which compromises their reliability in critical applications. In this study, we propose…

计算与语言 · 计算机科学 2025-02-18 Alexandru Lecu , Adrian Groza , Lezan Hawizy

Building trustworthy clinical AI systems requires not only accurate predictions but also transparent, biologically grounded explanations. We present \texttt{DiagnoLLM}, a hybrid framework that integrates Bayesian deconvolution, eQTL-guided…

人工智能 · 计算机科学 2025-11-18 Bowen Xu , Xinyue Zeng , Jiazhen Hu , Tuo Wang , Adithya Kulkarni

Recent proprietary large language models (LLMs), such as GPT-4, have achieved a milestone in tackling diverse challenges in the biomedical domain, ranging from multiple-choice questions to long-form generations. To address challenges that…

计算与语言 · 计算机科学 2024-06-19 Minbyul Jeong , Jiwoong Sohn , Mujeen Sung , Jaewoo Kang