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The simple entropic method to statistical reconstructing of heterogeneous three-dimensional media from a single two-dimensional image is briefly reported. We apply the entropic descriptor quantifying spatial inhomogeneity that depends on…

Statistical Mechanics · Physics 2015-11-18 D. Frączek , W. Olchawa , R. Piasecki , R. Wiśniowski

Machine-learning generative methods for material design are constructed by representing a given chemical structure, either a solid or a molecule, over appropriate atomic features, generally called structural descriptors. These must be fully…

Materials Science · Physics 2022-07-20 Matteo Cobelli , Paddy Cahalane , Stefano Sanvito

Understanding the complexity of biological neural networks like the human brain is one of the scientific challenges of our century. The organization of the brain can be described at different levels, ranging from small neural networks to…

Neurons and Cognition · Quantitative Biology 2018-05-23 Stefano De Blasi

In this paper, we introduce a denoising diffusion algorithm to discover microstructures with nonlinear fine-tuned properties. Denoising diffusion probabilistic models are generative models that use diffusion-based dynamics to gradually…

Machine Learning · Computer Science 2023-06-14 Nikolaos N. Vlassis , WaiChing Sun

We study the problem of experiment design to learn causal structures from interventional data. We consider an active learning setting in which the experimenter decides to intervene on one of the variables in the system in each step and uses…

Artificial Intelligence · Computer Science 2020-09-09 Amir Amirinezhad , Saber Salehkaleybar , Matin Hashemi

Neural Cellular Automata (NCAs) are a promising new approach to model self-organizing processes, with potential applications in life science. However, their deterministic nature limits their ability to capture the stochasticity of…

Artificial Intelligence · Computer Science 2025-06-26 Salvatore Milite , Giulio Caravagna , Andrea Sottoriva

Reconstruction of neuroanatomy is a fundamental problem in neuroscience. Stochastic expression of colors in individual cells is a promising tool, although its use in the nervous system has been limited due to various sources of variability…

Neurons and Cognition · Quantitative Biology 2017-01-24 Uygar Sümbül , Douglas Roussien , Fei Chen , Nicholas Barry , Edward S. Boyden , Dawen Cai , John P. Cunningham , Liam Paninski

Enabling artificial agents to automatically learn complex, versatile and high-performing behaviors is a long-lasting challenge. This paper presents a step in this direction with hierarchical behavioral repertoires that stack several…

Robotics · Computer Science 2018-04-20 Antoine Cully , Yiannis Demiris

Microstructure--property relationships are key to effective design of structural materials for advanced applications. Advances in computational methods enabled modeling microstructure-sensitive properties using 3D models (e.g., finite…

Materials Science · Physics 2023-03-20 Guangyu Hu , Marat I. Latypov

Object segmentation and structure localization are important steps in automated image analysis pipelines for microscopy images. We present a convolution neural network (CNN) based deep learning architecture for segmentation of objects in…

Computer Vision and Pattern Recognition · Computer Science 2019-01-24 Shan E Ahmed Raza , Linda Cheung , Muhammad Shaban , Simon Graham , David Epstein , Stella Pelengaris , Michael Khan , Nasir M. Rajpoot

The microstructure critically governs the properties of materials used in energy and chemical engineering technologies, from catalysts and filters to thermal insulators and sensors. Therefore, accurate design is based on quantitative…

Computational Engineering, Finance, and Science · Computer Science 2026-01-29 Maksym Szemer , Szymon Buchaniec , Grzegorz Brus

In biological research, fluorescence staining is a key technique to reveal the locations and morphology of subcellular structures. However, it is slow, expensive, and harmful to cells. In this paper, we model it as a deep learning task…

Computer Vision and Pattern Recognition · Computer Science 2023-03-28 Donghao Zhou , Chunbin Gu , Junde Xu , Furui Liu , Qiong Wang , Guangyong Chen , Pheng-Ann Heng

Amphiphilic molecules spontaneously form self-assembled structures of various shapes depending on their molecular structures, the temperature, and other physical conditions. The functionalities of these structures are dictated by their…

Soft Condensed Matter · Physics 2024-04-18 Takeo Sudo , Satoki Ishiai , Yuuki Ishiwatari , Takahiro Yokoyama , Kenji Yasuoka , Noriyoshi Arai

In deep learning, performance is strongly affected by the choice of architecture and hyperparameters. While there has been extensive work on automatic hyperparameter optimization for simple spaces, complex spaces such as the space of deep…

Machine Learning · Statistics 2017-05-01 Renato Negrinho , Geoff Gordon

Designing composite materials as per the application requirements is fundamentally a challenging and time consuming task. Here we report the development of a deep neural network based computational framework capable of solving the forward…

Materials Science · Physics 2022-09-14 Ashank , Soumen Chakravarty , Pranshu Garg , Ankit Kumar , Manish Agrawal , Prabhat K. Agnihotri

Dynamical systems are used to model a variety of phenomena in which the bifurcation structure is a fundamental characteristic. Here we propose a statistical machine-learning approach to derive lowdimensional models that automatically…

Quantitative Methods · Quantitative Biology 2015-06-11 Yohei Kondo , Kunihiko Kaneko , Shuji Ishihara

In the fields of computation and neuroscience, much is still unknown about the underlying computations that enable key cognitive functions including learning, memory, abstraction and behavior. This paper proposes a mathematical and…

Artificial Intelligence · Computer Science 2025-01-14 Jeet Singh

Phase-field modeling is an elegant and versatile computation tool to predict microstructure evolution in materials in the mesoscale regime. However, these simulations require rigorous numerical solutions of differential equations, which are…

Materials Science · Physics 2023-08-08 Owais Ahmad , Naveen Kumar , Rajdip Mukherjee , Somnath Bhowmick

Direct numerical simulation of hierarchical materials via homogenization-based concurrent multiscale models poses critical challenges for 3D large scale engineering applications, as the computation of highly nonlinear and path-dependent…

Computational Engineering, Finance, and Science · Computer Science 2022-12-29 Shiguang Deng

Modeling and manufacturing of personalized cranial implants are important research areas that may decrease the waiting time for patients suffering from cranial damage. The modeling of personalized implants may be partially automated by the…

Computer Vision and Pattern Recognition · Computer Science 2024-06-11 Marek Wodzinski , Kamil Kwarciak , Mateusz Daniol , Daria Hemmerling