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In computational biophysics, where molecular data is expanding rapidly and system complexity is increasing exponentially, large language models (LLMs) and agent-based systems are fundamentally reshaping the field. This perspective article…

Recent advances in language models opened new opportunities to address complex schema matching tasks. Schema matching approaches have been proposed that demonstrate the usefulness of language models, but they have also uncovered important…

Databases · Computer Science 2025-06-18 Yurong Liu , Eduardo Pena , Aecio Santos , Eden Wu , Juliana Freire

The adoption of machine learning (ML) and deep learning methods has revolutionized molecular medicine by driving breakthroughs in genomics, transcriptomics, drug discovery, and biological systems modeling. The increasing quantity,…

Large Language Models (LLMs) have made remarkable advancements in the field of natural language processing. However, their increasing size poses challenges in terms of computational cost. On the other hand, Small Language Models (SLMs) are…

Computation and Language · Computer Science 2023-08-03 Zhen Guo , Peiqi Wang , Yanwei Wang , Shangdi Yu

Running agent-based models (ABMs) is a burdensome computational task, specially so when considering the flexibility ABMs intrinsically provide. This paper uses a bundle of model configuration parameters along with obtained results from a…

Multiagent Systems · Computer Science 2020-01-14 Bernardo Alves Furtado

Identifying and articulating limitations is essential for transparent and rigorous scientific research. However, zero-shot large language models (LLMs) approach often produce superficial or general limitation statements (e.g., dataset bias…

Computation and Language · Computer Science 2026-03-17 Ibrahim Al Azher , Zhishuai Guo , Hamed Alhoori

State-of-the-art large language models (LLMs) show high performance in general visual question answering. However, a fundamental limitation remains: current architectures lack the native 3D spatial reasoning required for direct analysis of…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Ayhan Can Erdur , Daniel Scholz , Jiazhen Pan , Benedikt Wiestler , Daniel Rueckert , Jan C. Peeken

Random numbers are at the heart of every agent-based model (ABM) of health and disease. By representing each individual in a synthetic population, agent-based models enable detailed analysis of intervention impact and parameter sensitivity.…

Quantitative Methods · Quantitative Biology 2024-09-09 Daniel J. Klein , Romesh G. Abeysuriya , Robyn M. Stuart , Cliff C. Kerr

To improve the reasoning and question-answering capabilities of Large Language Models (LLMs), several multi-agent approaches have been introduced. While these methods enhance performance, the application of collective intelligence-based…

Artificial Intelligence · Computer Science 2024-07-10 Ciaran Regan , Alexandre Gournail , Mizuki Oka

Researchers and practitioners have recently reframed powerful Large Language Models (LLMs) as agents, enabling them to automate complex tasks largely via the use of specialized functions. To facilitate the development of LLM agents, we…

Artificial Intelligence · Computer Science 2024-08-01 Shaokun Zhang , Jieyu Zhang , Jiale Liu , Linxin Song , Chi Wang , Ranjay Krishna , Qingyun Wu

Large language models (LLMs) demonstrate strong reasoning abilities across mathematical, strategic, and linguistic tasks, yet little is known about how well they reason in dynamic, real-time, multi-agent scenarios, such as collaborative…

Multiagent Systems · Computer Science 2026-01-01 Shaurya Mallampati , Rashed Shelim , Walid Saad , Naren Ramakrishnan

The remarkable progress in Large Language Models (LLMs) opens up new avenues for addressing planning and decision-making problems in Multi-Agent Systems (MAS). However, as the number of agents increases, the issues of hallucination in LLMs…

Artificial Intelligence · Computer Science 2024-01-24 Bin Zhang , Hangyu Mao , Jingqing Ruan , Ying Wen , Yang Li , Shao Zhang , Zhiwei Xu , Dapeng Li , Ziyue Li , Rui Zhao , Lijuan Li , Guoliang Fan

Large Language Models (LLMs) and multi-agent systems have shown impressive capabilities in natural language tasks but face challenges in clinical trial applications, primarily due to limited access to external knowledge. Recognizing the…

Computation and Language · Computer Science 2024-07-23 Ling Yue , Sixue Xing , Jintai Chen , Tianfan Fu

In recent years, data science agents powered by Large Language Models (LLMs), known as "data agents," have shown significant potential to transform the traditional data analysis paradigm. This survey provides an overview of the evolution,…

Artificial Intelligence · Computer Science 2025-12-01 Maojun Sun , Ruijian Han , Binyan Jiang , Houduo Qi , Defeng Sun , Yancheng Yuan , Jian Huang

The Object-Oriented Method for Requirements Authoring and Management (OOMRAM) is a requirements reuse framework that relies on exact identifier matching and rigid templates, limiting its ability to adapt specifications across diverse…

Software Engineering · Computer Science 2026-05-07 Ahmed F. Ibrahim

Agent-based modeling (ABM) is a well-established paradigm for simulating complex systems via interactions between constituent entities. Machine learning (ML) refers to approaches whereby statistical algorithms 'learn' from data on their…

Quantitative Methods · Quantitative Biology 2022-11-10 Nikita Sivakumar , Cameron Mura , Shayn M. Peirce

With the development of artificial intelligence (AI), large language models (LLM) are widely used in many fields. However, the reasoning ability of LLM is still very limited when it comes to mathematical reasoning. Mathematics plays an…

Computation and Language · Computer Science 2024-08-06 Wenbei Xie , Donglin Liu , Haoran Yan , Wenjie Wu , Zongyang Liu

Integrating theoretical neuroscience, decision theory, and probabilistic inference offers a promising route to understanding human cognition, yet concrete methodological bridges between agentic AI models and behavioral data analysis remain…

Neurons and Cognition · Quantitative Biology 2026-05-01 Dirk Ostwald , Rasmus Bruckner , Franziska Usée , Belinda Fleischmann , Joram Soch , Sean Mulready

Large language models (LLMs) are increasingly used as simulated participants in social science experiments, but their behavior is often unstable and highly sensitive to design choices. Prior evaluations frequently conflate base-model…

Artificial Intelligence · Computer Science 2026-02-03 Xuan Liu , Haoyang Shang , Zizhang Liu , Xinyan Liu , Yunze Xiao , Yiwen Tu , Haojian Jin

The modeling of bio-molecular system across molecular scales remains a central challenge in scientific research. Large language models (LLMs) are increasingly applied to bio-molecular discovery, yet systematic evaluation across multi-scale…

Machine Learning · Computer Science 2026-04-07 Yaxin Xu , Yue Zhou , Tianyu Zhao , Fengwei An , Zhixiang Ren