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As data-driven modeling of physical dynamical systems becomes more prevalent, a new challenge is emerging: making these models more compatible and aligned with existing human knowledge. AI-driven scientific modeling processes typically…

Machine Learning · Computer Science 2024-10-11 Kevin Zhang , Hod Lipson

Recent breakthroughs in artificial intelligence (AI) are reshaping the way we construct computational counterparts of the brain, giving rise to a new class of ``surrogate brains''. In contrast to conventional hypothesis-driven biophysical…

Neurons and Cognition · Quantitative Biology 2025-10-14 Yinuo Zhang , Demao Liu , Zhichao Liang , Jiani Cheng , Kexin Lou , Jinqiao Duan , Ting Gao , Bin Hu , Quanying Liu

The rapid advancement of large language models has fundamentally shifted the bottleneck in AI development from computational power to data availability-with countless valuable datasets remaining hidden across specialized repositories,…

Artificial Intelligence · Computer Science 2025-08-12 Keyu Li , Mohan Jiang , Dayuan Fu , Yunze Wu , Xiangkun Hu , Dequan Wang , Pengfei Liu

Artificial Intelligence (AI) can solve complex scientific problems beyond human capabilities, but the resulting solutions offer little insight into the underlying physical principles. One prominent example is quantum physics, where…

Quantum Physics · Physics 2026-02-27 Sören Arlt , Haonan Duan , Felix Li , Sang Michael Xie , Yuhuai Wu , Mario Krenn

AI agents -- systems that combine foundation models with reasoning, planning, memory, and tool use -- are rapidly becoming a practical interface between natural-language intent and real-world computation. This survey synthesizes the…

Artificial Intelligence · Computer Science 2026-01-06 Bin Xu

The breakthrough in Deep Learning neural networks has transformed the use of AI and machine learning technologies for the analysis of very large experimental datasets. These datasets are typically generated by large-scale experimental…

Machine Learning · Computer Science 2021-10-26 Jeyan Thiyagalingam , Mallikarjun Shankar , Geoffrey Fox , Tony Hey

We outline recent developments in artificial intelligence (AI) and machine learning (ML) techniques for integrative structural biology of intrinsically disordered proteins (IDP) ensembles. IDPs challenge the traditional protein…

Biomolecules · Quantitative Biology 2020-12-03 Arvind Ramanathan , Heng Ma , Akash Parvatikar , Chakra S. Chennubhotla

This white paper lays out a vision of research and development in the field of artificial intelligence for the next decade (and beyond). Its denouement is a cyber-physical ecosystem of natural and synthetic sense-making, in which humans are…

Proteins are sequences of amino acids that serve as the basic building blocks of living organisms. Despite rapidly growing databases documenting structural and functional information for various protein sequences, our understanding of…

Biomolecules · Quantitative Biology 2025-01-06 Weihang Dai

Deriving governing equations from empirical observations is a longstanding challenge in science. Although artificial intelligence (AI) has demonstrated substantial capabilities in function approximation, the discovery of explainable and…

Artificial Intelligence · Computer Science 2026-05-01 Gyoung S. Na , Chanyoung Park

Artificial Intelligence (AI) is starting to transform the research process as we know it by automating the discovery of new solutions. Given a task, the typical AI-driven approach is (i) to generate a set of diverse solutions, and then (ii)…

Attention has become a common ingredient in deep learning architectures. It adds a dynamical selection of information on top of the static selection of information supported by weights. In the same way, we can imagine a higher-order…

Artificial Intelligence · Computer Science 2023-07-17 Dianbo Liu , Samuele Bolotta , He Zhu , Yoshua Bengio , Guillaume Dumas

The discovery of novel mechanical metamaterials, whose properties are dominated by their engineered structures rather than chemical composition, is a knowledge-intensive and resource-demanding process. To accelerate the design of novel…

We envision the Full-Body AI Agent as a comprehensive AI system designed to simulate, analyze, and optimize the dynamic processes of the human body across multiple biological levels. By integrating computational models, machine learning…

Tissues and Organs · Quantitative Biology 2025-08-28 Aoqi Wang , Jiajia Liu , Jianguo Wen , Yangyang Luo , Zhiwei Fan , Liren Yang , Xi Hu , Ruihan Luo , Yankai Yu , Sophia Li , Weiling Zhao , Xiaobo Zhou

Current AI agents can flexibly invoke tools and execute complex tasks, yet their long-term advancement is hindered by the lack of systematic accumulation and transfer of skills. Without a unified mechanism for skill consolidation, agents…

Here we review the development of protein scaling theory, starting from backgrounds in mathematics and statistical mechanics, and leading to biomedical applications. Evolution has organized each protein family in different ways, but scaling…

Other Quantitative Biology · Quantitative Biology 2016-10-14 J. C. Phillips

Agentic Artificial Intelligence (AI) represents a paradigm shift from reactive systems to proactive, autonomous decision making frameworks. Existing AI-based educational systems remain fragmented and lack multi-level integration across…

Multiagent Systems · Computer Science 2026-04-21 Arya Mary K J , Deepthy K Bhaskar , Sinu T S , Binu V P

With the rapid development of Large Language Models (LLMs), AI agents have demonstrated increasing proficiency in scientific tasks, ranging from hypothesis generation and experimental design to manuscript writing. Such agent systems are…

The competitive and cooperative forces of natural selection have driven the evolution of intelligence for millions of years, culminating in nature's vast biodiversity and the complexity of human minds. Inspired by this process, we propose a…

Artificial Intelligence · Computer Science 2025-10-15 Andries Rosseau , Raphaël Avalos , Ann Nowé

The rise of generative and autonomous agents marks a fundamental shift in computing, demanding a rethinking of how humans collaborate with probabilistic, partially autonomous systems. We present the Human-AI-Experience (HAX) framework, a…

Human-Computer Interaction · Computer Science 2025-12-16 Marc Scibelli , Krystelle Gonzalez Papaux , Julia Valenti , Srishti Kush