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Many properties of commonly used materials are driven by their microstructure, which can be influenced by the composition and manufacturing processes. To optimise future materials, understanding the microstructure is critically important.…

Microstructure reconstruction has been an essential part of computational material engineering to reveal the relationship between microstructures and material properties. However, finding a general solution for microstructure…

Materials Science · Physics 2023-01-24 Kang-Hyun Lee , Gun Jin Yun

Additive manufacturing methods together with topology optimization have enabled the creation of multiscale structures with controlled spatially-varying material microstructure. However, topology optimization or inverse design of such…

Materials Science · Physics 2024-08-28 Harikrishnan Vijayakumaran , Jonathan B. Russ , Glaucio H. Paulino , Miguel A. Bessa

An image-based deep learning framework is developed in this paper to predict damage and failure in microstructure-dependent composite materials. The work is motivated by the complexity and computational cost of high-fidelity simulations of…

Machine Learning · Computer Science 2022-06-07 Reza Sepasdar , Anuj Karpatne , Maryam Shakiba

Protein engineering seeks to identify protein sequences with optimized properties. When guided by machine learning, protein sequence generation methods can draw on prior knowledge and experimental efforts to improve this process. In this…

Quantitative Methods · Quantitative Biology 2021-05-28 Zachary Wu , Kadina E. Johnston , Frances H. Arnold , Kevin K. Yang

Synthesis of rationally designed nanostructured materials with optimized mechanical properties, e.g., high strength with considerable ductility, requires rigorous control of diverse microstructural parameters including the mean size, size…

Materials Science · Physics 2017-01-27 Rohit Sarkar , Jagannathan Rajagopalan

The vast combination of material properties seen in nature are achieved by the complexity of the material microstructure. Advanced characterization and physics based simulation techniques have led to generation of extremely large…

Machine Learning · Computer Science 2023-01-12 Veera Sundararaghavan , Megna N. Shah , Jeff P. Simmons

Interconnected complex systems usually undergo disruptions due to internal uncertainties and external negative impacts such as those caused by harsh operating environments or regional natural disaster events. To maintain the operation of…

Machine Learning · Computer Science 2022-07-05 Jiaxin Wu , Pingfeng Wang

Generative networks implicitly approximate complex densities from their sampling with impressive accuracy. However, because of the enormous scale of modern datasets, this training process is often computationally expensive. We cast…

Machine Learning · Computer Science 2020-03-03 Vincent Schellekens , Laurent Jacques

Given (small amounts of) time-series' data from a high-dimensional, fine-grained, multiscale dynamical system, we propose a generative framework for learning an effective, lower-dimensional, coarse-grained dynamical model that is predictive…

Machine Learning · Statistics 2021-01-18 Sebastian Kaltenbach , Phaedon-Stelios Koutsourelakis

Machine learning offers attractive solutions to challenging image processing tasks. Tedious development and parametrization of algorithmic solutions can be replaced by training a convolutional neural network or a random forest with a high…

Computer Vision and Pattern Recognition · Computer Science 2025-01-31 Katja Schladitz , Claudia Redenbach , Tin Barisin , Christian Jung , Natascha Jeziorski , Lovro Bosnar , Juraj Fulir , Petra Gospodnetić

When using deep, multi-layered architectures to build generative models of data, it is difficult to train all layers at once. We propose a layer-wise training procedure admitting a performance guarantee compared to the global optimum. It is…

Neural and Evolutionary Computing · Computer Science 2013-02-19 Ludovic Arnold , Yann Ollivier

The integration of machine learning and robotics into thin film deposition is transforming material discovery and optimization. However, challenges remain in achieving a fully autonomous cycle of deposition, characterization, and…

Materials Science · Physics 2026-02-24 Yuanlong Zheng , Connor Blake , Layla Mravac , Fengxue Zhang , Yuxin Chen , Shuolong Yang

A major goal of materials design is to find material structures with desired properties and in a second step to find a processing path to reach one of these structures. In this paper, we propose and investigate a deep reinforcement learning…

Machine Learning · Computer Science 2021-07-09 Johannes Dornheim , Lukas Morand , Samuel Zeitvogel , Tarek Iraki , Norbert Link , Dirk Helm

Thin and elongated filamentous structures, such as microtubules and actin filaments, often play important roles in biological systems. Segmenting these filaments in biological images is a fundamental step for quantitative analysis. Recent…

Computer Vision and Pattern Recognition · Computer Science 2026-04-01 Yi Liu , Yichi Zhang

Learning how to model complex scenes in a modular way with recombinable components is a pre-requisite for higher-order reasoning and acting in the physical world. However, current generative models lack the ability to capture the inherently…

Machine Learning · Statistics 2020-04-28 Julius von Kügelgen , Ivan Ustyuzhaninov , Peter Gehler , Matthias Bethge , Bernhard Schölkopf

The classical method of determining the atomic structure of complex molecules by analyzing diffraction patterns is currently undergoing drastic developments. Modern techniques for producing extremely bright and coherent X-ray lasers allow a…

Biomolecules · Quantitative Biology 2015-10-12 Tomas Ekeberg , Stefan Engblom , Jing Liu

Photoelastic techniques have a long tradition in both qualitative and quantitative analysis of the stresses in granular materials. Over the last two decades, computational methods for reconstructing forces between particles from their…

Computer Vision and Pattern Recognition · Computer Science 2021-08-04 Renat Sergazinov , Miroslav Kramar

Complex networks theory has commonly been used for modelling and understanding the interactions taking place between the elements composing complex systems. More recently, the use of generative models has gained momentum, as they allow…

Physics and Society · Physics 2016-05-19 Massimiliano Zanin , Marco Correia , Pedro A. C. Sousa , Jorge Cruz

Deep generative models that learn from the distribution of natural protein sequences and structures may enable the design of new proteins with valuable functions. While the majority of today's models focus on generating either sequences or…

Biomolecules · Quantitative Biology 2024-10-03 Chentong Wang , Sarah Alamdari , Carles Domingo-Enrich , Ava Amini , Kevin K. Yang
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