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We consider a multiscale approach based on immersed methods for the efficient computational modeling of tissues composed of an elastic matrix (in two or three-dimensions) and a thin vascular structure (treated as a co-dimension two…

Numerical Analysis · Mathematics 2021-11-18 Luca Heltai , Alfonso Caiazzo

Multi-agent language systems are often built as hand-designed workflows, where agents are assigned semantic roles and communication protocols are specified in advance. We propose NeuroMAS, a method that first treats a multi-agent language…

Artificial Intelligence · Computer Science 2026-05-19 Haoran Lu , Luyang Fang , Wenxuan Zhong , Ping Ma

Organogenesis is a tightly regulated process that has been studied experimentally for decades. Computational models can help to integrate available knowledge and to better understand the underlying regulatory logic. We are currently…

Tissues and Organs · Quantitative Biology 2012-02-03 Philipp Germann , Dzianis Menshykau , Simon Tanaka , Dagmar Iber

Reaction-diffusion processes are the foundational model for a diverse range of complex systems, ranging from biochemical reactions to social agent-based phenomena. The underlying dynamics of these systems occur at the individual…

Statistical Mechanics · Physics 2025-10-15 Mauricio J. del Razo , Margarita Kostré

Metal-organic frameworks (MOFs) offer a vast design space, and as such, computational simulations play a critical role in predicting their structural and physicochemical properties. However, MOF simulations remain difficult to access…

Artificial Intelligence · Computer Science 2026-04-01 Jaewoong Lee , Taeun Bae , Jihan Kim

The goal of this paper is to advance an extensible theory of living systems using an approach to biomathematics and biocomputation that suitably addresses self-organized, self-referential and anticipatory systems with multi-temporal…

Other Quantitative Biology · Quantitative Biology 2017-11-15 Plamen L. Simeonov , Andrée C. Ehresmann

Large Language Models (LLMs) have achieved remarkable success across a wide array of tasks. Due to the impressive planning and reasoning abilities of LLMs, they have been used as autonomous agents to do many tasks automatically. Recently,…

Computation and Language · Computer Science 2024-04-22 Taicheng Guo , Xiuying Chen , Yaqi Wang , Ruidi Chang , Shichao Pei , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang

Advanced agentic intelligence is a prerequisite for deploying Large Language Models in practical, real-world applications. Diverse real-world APIs demand precise, robust function-calling intelligence, which needs agents to develop these…

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

Although tissues are usually studied in isolation, this situation rarely occurs in biology, as cells, tissues, and organs, coexist and interact across scales to determine both shape and function. Here, we take a quantitative approach…

Tissues and Organs · Quantitative Biology 2023-02-07 Carles Falcó , Daniel J. Cohen , José A. Carrillo , Ruth E. Baker

Systematic exploration of Agent-Based Models (ABMs) is challenged by the curse of dimensionality and their inherent stochasticity. We present a multi-stage pipeline integrating the systematic design of experiments with machine learning…

Machine Learning · Computer Science 2026-04-07 Paul Saves , Matthieu Mastio , Nicolas Verstaevel , Benoit Gaudou

This tutorial introduces participants to the design and implementation of an agent-based model using NetLogo through one of two different projects: modelling T cell movement within a lymph node or modelling the progress of a viral infection…

Quantitative Methods · Quantitative Biology 2018-08-30 Catherine A. A. Beauchemin , Laura E. Liao , Kenneth Blahut

Evaluating large language models (LLM) in clinical scenarios is crucial to assessing their potential clinical utility. Existing benchmarks rely heavily on static question-answering, which does not accurately depict the complex, sequential…

Human-Computer Interaction · Computer Science 2025-05-27 Samuel Schmidgall , Rojin Ziaei , Carl Harris , Eduardo Reis , Jeffrey Jopling , Michael Moor

Agent-based simulation provides a powerful tool for in silico system modeling. However, these simulations do not provide built-in methods for uncertainty quantification (UQ). Within these types of models a typical approach to UQ is to run…

Applications · Statistics 2025-04-17 Adam Spannaus , Sifat Afroj Moon , John Gounley , Heidi A. Hanson

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,…

Cancer is a disease driven by random DNA mutations and the interaction of many complex phenomena. To improve the understanding and ultimately find more effective treatments, researchers leverage computer simulations mimicking the tumor…

Computational Physics · Physics 2024-01-26 Tobias Duswald , Ernesto A. B. F. Lima , J. Tinsley Oden , Barbara Wohlmuth

Self-organisation of individuals within large collectives occurs throughout biology. Mathematical models can help elucidate the individual-level mechanisms behind these dynamics, but analytical tractability often comes at the cost of…

Physiological whole-body models are valuable tools for the development of novel drugs where understanding the system aspects is important. This paper presents a generalized model that encapsulates the structure and flow of whole-body human…

Quantitative Methods · Quantitative Biology 2024-04-23 Laura Hjort Blicher , Peter Emil Carstensen , Jacob Bendsen , Henrik Linden , Bjørn Hald , Kim Kristensen , John Bagterp Jørgensen

Large language models (LLMs) are transforming cellular biology by enabling the development of "virtual cells"--computational systems that represent, predict, and reason about cellular states and behaviors. This work provides a comprehensive…

Computation and Language · Computer Science 2025-10-10 Krinos Li , Xianglu Xiao , Shenglong Deng , Lucas He , Zijun Zhong , Yuanjie Zou , Zhonghao Zhan , Zheng Hui , Weiye Bao , Guang Yang

Training and education in human-centered fields require authentic practice, yet realistic simulations of human behavior have remained limited. We present a multi-agent psychological simulation system that models internal cognitive-affective…

Artificial Intelligence · Computer Science 2025-11-05 Xiangen Hu , Jiarui Tong , Sheng Xu
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