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Methods from artificial intelligence (AI), in general, and machine learning, in particular, have kept conquering new territories in numerous areas of science. Most of the applications of these techniques are restricted to the classification…

生物大分子 · 定量生物学 2022-10-24 Kristof Takacs , Balint Varga , Viktor Farkas , Andras Perczel , Vince Grolmusz

This paper investigates the prospect of developing human-interpretable, explainable artificial intelligence (AI) systems based on active inference and the free energy principle. We first provide a brief overview of active inference, and in…

Computational materials science and chemistry span vast knowledge domains and fractured software ecosystems. Although large language models (LLMs) have demonstrated research capabilities, scaling monolithic agents to manage the rigor and…

Solving mechanics problems using numerical methods requires comprehensive intelligent capability of retrieving relevant knowledge and theory, constructing and executing codes, analyzing the results, a task that has thus far mainly been…

人工智能 · 计算机科学 2023-11-15 Bo Ni , Markus J. Buehler

The advancement of data-driven materials science is currently constrained by a fundamental bottleneck: the vast majority of historical experimental data remains locked within the unstructured text and rasterized figures of legacy scientific…

数据库 · 计算机科学 2026-02-04 Yue Wu , Tianhao Su , Shunbo Hu , Deng Pan

The protein folding problem has been fundamentally transformed by artificial intelligence, evolving from static structure prediction toward the modeling of dynamic conformational ensembles and complex biomolecular interactions. This review…

计算机视觉与模式识别 · 计算机科学 2026-03-20 Jingzhi Chen , Lijian Xu

Much research in artificial intelligence is concerned with the development of autonomous agents that can interact effectively with other agents. An important aspect of such agents is the ability to reason about the behaviours of other…

人工智能 · 计算机科学 2018-02-12 Stefano V. Albrecht , Peter Stone

Ensuring safe and effective use of AI requires understanding and anticipating its performance on novel tasks, from advanced scientific challenges to transformed workplace activities. So far, benchmarking has guided progress in AI, but it…

According to cognitive psychology and related disciplines, the development of complex problem-solving behaviour in biological agents depends on hierarchical cognitive mechanisms. Hierarchical reinforcement learning is a promising…

Conventionally, model-based reinforcement learning (MBRL) aims to learn a global model for the dynamics of the environment. A good model can potentially enable planning algorithms to generate a large variety of behaviors and solve diverse…

机器学习 · 计算机科学 2020-02-18 Archit Sharma , Shixiang Gu , Sergey Levine , Vikash Kumar , Karol Hausman

A fundamental aspect of behaviour is the ability to encode salient features of experience in memory and use these memories, in combination with current sensory information, to predict the best action for each situation such that long-term…

神经与进化计算 · 计算机科学 2021-06-25 Stephen Kelly , Tatiana Voegerl , Wolfgang Banzhaf , Cedric Gondro

We introduce AMix-1, a powerful protein foundation model built on Bayesian Flow Networks and empowered by a systematic training methodology, encompassing pretraining scaling laws, emergent capability analysis, in-context learning mechanism,…

Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge. Existing benchmarks face a…

Modern analytics systems are fundamentally reactive, requiring users to define queries over increasingly complex and continuously evolving data. In real-time streaming environments, this paradigm breaks down, as the space of potential…

人工智能 · 计算机科学 2026-05-28 Gaetano Rossiello , Dharmashankar Subramanian

The principled design and discovery of biologically- and physically-informed models of neuronal dynamics has been advancing since the mid-twentieth century. Recent developments in artificial intelligence (AI) have accelerated this progress.…

Artificial Intelligence (AI) has apparently become one of the most important techniques discovered by humans in history while the human brain is widely recognized as one of the most complex systems in the universe. One fundamental critical…

We introduce PATHWAYS, a benchmark of 250 multi-step decision tasks that test whether web-based agents can discover and correctly use hidden contextual information. Across both closed and open models, agents typically navigate to relevant…

人工智能 · 计算机科学 2026-02-17 Shifat E. Arman , Syed Nazmus Sakib , Tapodhir Karmakar Taton , Nafiul Haque , Shahrear Bin Amin

Conversion of raw data into insights and knowledge requires substantial amounts of effort from data scientists. Despite breathtaking advances in Machine Learning (ML) and Artificial Intelligence (AI), data scientists still spend the…

人工智能 · 计算机科学 2019-09-13 Huseyin Uzunalioglu , Jin Cao , Chitra Phadke , Gerald Lehmann , Ahmet Akyamac , Ran He , Jeongran Lee , Maria Able

Biology is at the precipice of a new era where AI accelerates and amplifies the ability to study how cells operate, organize, and work as systems, revealing why disease happens and how to correct it. Organizations globally are prioritizing…