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Structural biology relies on accurate three-dimensional biomolecular structures to advance our understanding of biological functions, disease mechanisms, and therapeutics. While recent advances in deep learning have enabled the development…

生物大分子 · 定量生物学 2025-04-02 Yizhen Luo , Jiashuo Wang , Siqi Fan , Zaiqing Nie

Causal inference, estimating causal effects from observational data, is a fundamental tool in many disciplines. Of particular importance across a variety of domains is the continuous treatment setting, where the variable of intervention has…

机器学习 · 计算机科学 2026-05-15 Christopher Stith , Medha Barath , Vahid Balazadeh , Jesse C. Cresswell , Rahul G. Krishnan

Understanding the biological mechanisms of disease is crucial for medicine, and in particular, for drug discovery. AI-powered analysis of genome-scale biological data holds great potential in this regard. The increasing availability of…

Designing regulatory DNA elements with precise cell-type-specific activity is broadly relevant for cell engineering and gene therapy. Deep generative models can generate functional gene-regulatory elements, but existing methods struggle to…

基因组学 · 定量生物学 2026-04-23 Animesh Awasthi , Raphael Bednarsky , Moritz Schaefer , Christoph Bock

Brain foundation models bring the foundation model paradigm to the field of neuroscience. Like language and image foundation models, they are general-purpose AI systems pretrained on large-scale datasets that adapt readily to downstream…

计算机与社会 · 计算机科学 2026-02-04 Margot Hanley , Jiunn-Tyng Yeh , Ryan Rodriguez , Jack Pilkington , Nita Farahany

Regulatory networks describe the interactions between molecular or cellular regulators, like transcription factors and genes in gene regulatory networks, kinases and their receptors in signalling networks, or neurons in neural networks. A…

分子网络 · 定量生物学 2022-12-29 Niklas Bonacker , Johannes Berg

Biologically-inspired AI agent frameworks claim reliability benefits through structural guarantees adapted from gene regulatory networks, immune systems, and metabolic control. These claims are rarely tested empirically against simpler…

定量方法 · 定量生物学 2026-05-18 Bogdan Banu

Graphical models can represent a multivariate distribution in a convenient and accessible form as a graph. Causal models can be viewed as a special class of graphical models that not only represent the distribution of the observed system…

统计方法学 · 统计学 2017-06-29 Christina Heinze-Deml , Marloes H. Maathuis , Nicolai Meinshausen

Although reproducibility is a core tenet of the scientific method, it remains challenging to reproduce many results. Surprisingly, this also holds true for computational results in domains such as systems biology where there have been…

Latent class models have wide applications in social and biological sciences. In many applications, pre-specified restrictions are imposed on the parameter space of latent class models, through a design matrix, to reflect practitioners'…

统计理论 · 数学 2019-06-03 Yuqi Gu , Gongjun Xu

The dynamics of cellular pattern formation is crucial for understanding embryonic development and tissue morphogenesis. Recent studies have shown that human dermal fibroblasts cultured on liquid crystal elastomers can exhibit an increase in…

生物物理 · 物理学 2023-08-25 Mengyang Gu , Xinyi Fang , Yimin Luo

Machine Learning explainability techniques have been proposed as a means of `explaining' or interrogating a model in order to understand why a particular decision or prediction has been made. Such an ability is especially important at a…

机器学习 · 统计学 2022-02-28 Matthew J. Vowels

The phenomenal advances in large language models (LLMs) and other foundation models over the past few years have been based on optimizing large-scale transformer models on the surprisingly simple objective of minimizing next-token…

人工智能 · 计算机科学 2025-12-30 Rajesh P. N. Rao , Vishwas Sathish , Linxing Preston Jiang , Matthew Bryan , Prashant Rangarajan

Gene regulatory networks typically have low in-degrees, whereby any given gene is regulated by few of the genes in the network. What mechanisms might be responsible for these low in-degrees? Starting with an accepted framework of the…

分子网络 · 定量生物学 2009-10-22 Z. Burda , A. Krzywicki , O. C. Martin , M. Zagorski

The interpretability of machine learning, particularly for deep neural networks, is crucial for decision making in real-world applications. One approach is replacing the un-interpretable machine learning model with a surrogate model, which…

机器学习 · 统计学 2020-07-22 Keiichi Kisamori , Keisuke Yamazaki , Yuto Komori , Hiroshi Tokieda

Recent advances in large pretrained models have led to their widespread integration as core components in modern software systems. The trend is expected to continue in the foreseeable future. Unlike traditional software systems governed by…

软件工程 · 计算机科学 2025-07-18 Dongming Jin , Zhi Jin , Linyu Li , Xiaohong Chen

A key goal of systems biology is the predictive mathematical description of gene regulatory circuits. Different approaches are used such as deterministic and stochastic models, models that describe cell growth and division explicitly or…

分子网络 · 定量生物学 2012-10-12 Rahul Marathe , Veronika Bierbaum , David Gomez , Stefan Klumpp

Despite their apparent diversity, modern machine learning methods can be reduced to a remarkably simple core principle: learning is achieved by continuously optimizing parameters to minimize or maximize a scalar objective function. This…

机器学习 · 计算机科学 2026-02-24 Sheng Ran

In the genome biology research, regulatory genome modeling is an important topic for many regulatory downstream tasks, such as promoter classification, transaction factor binding sites prediction. The core problem is to model how regulatory…

基因组学 · 定量生物学 2021-11-04 Shentong Mo , Xi Fu , Chenyang Hong , Yizhen Chen , Yuxuan Zheng , Xiangru Tang , Zhiqiang Shen , Eric P Xing , Yanyan Lan

Predictive coding has emerged as an influential normative model of neural computation, with numerous extensions and applications. As such, much effort has been put into mapping PC faithfully onto the cortex, but there are issues that remain…

神经元与认知 · 定量生物学 2023-03-07 Siavash Golkar , Tiberiu Tesileanu , Yanis Bahroun , Anirvan M. Sengupta , Dmitri B. Chklovskii