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Ingestive behavior plays a critical role in health, yet many existing interventions remain limited to static guidance or manual self-tracking. With the increasing integration of sensors, context-aware computing, and perceptual computing,…

Human-Computer Interaction · Computer Science 2025-08-08 Jun Fang , Yanuo Zhou , Ka I Chan , Jiajin Li , Zeyi Sun , Zhengnan Li , Zicong Fu , Hongjing Piao , Haodong Xu , Yuanchun Shi , Yuntao Wang

Chemical synthesis remains a critical bottleneck in the discovery and manufacture of functional small molecules. AI-based synthesis planning models could be a potential remedy to find effective syntheses, and have made progress in recent…

Stochastic fluctuations of molecule numbers are ubiquitous in biological systems. Important examples include gene expression and enzymatic processes in living cells. Such systems are typically modelled as chemical reaction networks whose…

Quantitative Methods · Quantitative Biology 2017-01-13 David Schnoerr , Guido Sanguinetti , Ramon Grima

The human brain has immense learning capabilities at extreme energy efficiencies and scale that no artificial system has been able to match. For decades, reverse engineering the brain has been one of the top priorities of science and…

Many biological functions are executed by molecular machines, which consume energy and convert it into mechanical work. Biological machines have evolved to transport cargo, facilitate folding of proteins and RNA, remodel chromatin and…

Biological Physics · Physics 2020-04-15 Mauro L. Mugnai , Changbong Hyeon , Michael Hinczewski , D. Thirumalai

We develop numerical and analytical approaches to calculate mutual information between complete paths of two molecular components embedded into a larger reaction network. In particular, we focus on a continuous-time Markov chain formalism,…

Molecular Networks · Quantitative Biology 2022-08-09 Anne-Lena Moor , Christoph Zechner

Signal transduction, the information processing mechanism in biological cells, is carried out by a network of biochemical reactions. The dynamics of driven biochemical reactions can be studied in terms of nonequilibrium statistical physics.…

Subcellular Processes · Quantitative Biology 2012-09-13 Hong Qian , Sumit Roy

We consider the problem of synthetically generating data that can closely resemble human decisions made in the context of an interactive human-AI system like a computer game. We propose a novel algorithm that can generate synthetic,…

Machine Learning · Computer Science 2023-04-17 Bryan Brandt , Prithviraj Dasgupta

Information processing relying on biochemical interactions in the cellular environment is essential for biological organisms. The implementation of molecular computational systems holds significant interest and potential in the fields of…

Dynamical Systems · Mathematics 2023-12-01 Yuzhen Fan , Xiaoyu Zhang , Chuanhou Gao , Denis Dochain

Living organisms survive and multiply even though they have uncertain and incomplete information about their environment and imperfect models to predict the consequences of their actions. Bayesian models have been proposed to face this…

Emerging Technologies · Computer Science 2015-11-13 Jacques Droulez , David Colliaux , Audrey Houillon , Pierre Bessière

The challenge of finding a global optimum in a solution search space with limited resources and higher accuracy has given rise to several optimization algorithms. Generally, the gradient-based optimizers converge to the global solution very…

Neural and Evolutionary Computing · Computer Science 2023-11-23 Subhrangshu Adhikary

Intelligent soft matter stands at the intersection of materials science, physics, and cognitive science, promising to change how we design and interact with materials. This transformative field seeks to create materials that possess…

Recent observations of beating signals in the excitation energy transfer dynamics of photosynthetic complexes have been interpreted as evidence for sustained coherences that are sufficiently long-lived for energy transport and coherence to…

Quantum Physics · Physics 2013-03-05 A. W. Chin , J. Prior , R. Rosenbach , F. Caycedo-Soler , S. F. Huelga , M. B. Plenio

Normal molecular dynamics simulations are usually unable to simulate chemical reactions due to the low probability of forming the transition state. Therefore, enhanced sampling methods are implemented to accelerate the occurrence of…

Chemical Physics · Physics 2022-10-14 Yi Sun , Xu Han , Lijiang Yang

The independent evolution of intelligence in biological and artificial systems offers a unique opportunity to identify its fundamental computational principles. Here we show that large language models spontaneously develop synergistic cores…

The synthesis of complex natural products remains one of the grand challenges of organic chemistry. We present DeepRetro, a major advancement in computational retrosynthesis that enables the discovery of viable synthetic routes for complex…

Central to the functioning of a living cell is its ability to control the readout or expression of information encoded in the genome. In many cases, a single transcription factor protein activates or represses the expression of many genes.…

Molecular Networks · Quantitative Biology 2013-05-29 Aleksandra M. Walczak , Gapser Tkacik , William Bialek

Evolutionary Computation is a group of biologically inspired algorithms used to solve complex optimisation problems. It can be split into Evolutionary Algorithms, which take inspiration from genetic inheritance, and Swarm Intelligence…

Neural and Evolutionary Computing · Computer Science 2021-08-11 Sizhe Yuen , Thomas H. G. Ezard , Adam J. Sobey

Learning underlies nearly all human behavior and is central to education and education reform. Although recent advances in neuroscience have revealed the fundamental structure of learning processes, these insights have yet to be integrated…

Information Theory · Computer Science 2025-10-20 Scott E. Allen , A. David Redish , René F. Kizilcec

One way to understand the role history plays on evolutionary trajectories is by giving ancient life a second opportunity to evolve. Our ability to empirically perform such an experiment, however, is limited by current experimental designs.…

Populations and Evolution · Quantitative Biology 2012-09-25 Betul Kacar , Eric Gaucher
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