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Microstructure reconstruction, a major component of inverse computational materials engineering, is currently advancing at an unprecedented rate. While various training-based and training-free approaches are developed, the majority of…

Materials Science · Physics 2022-11-28 Christian Düreth , Paul Seibert , Dennis Rücker , Stephanie Handford , Markus Kästner , Maik Gude

Transformations accompanying shape-instability govern the morphological configuration and distribution of the phases in a microstructure. Owing to the influence of the microstructure on the properties of a material, the stability of…

Computational Engineering, Finance, and Science · Computer Science 2020-06-17 Tobias Mittnacht , Prince Gideon Kubendran Amos , Daniel Schneider , Britta Nestler

Transition metal dichalcogenides exhibit a wide range of semiconducting, metallic, correlated, and topological electronic states that arise from strong coupling between lattice structure, dimensionality, and electronic degrees of freedom.…

Materials Science · Physics 2026-05-19 Anzar Ali , Md Ezaz Hasan Khan , Mahmoud Abdel-Hafiez

It is shown here that fracture after a brief plastic strain, typically of a few percents, is a necessary consequence of the polycrystalline nature of the materials. The polycrystal undergoing plastic deformation is modeled as a flowing…

Materials Science · Physics 2018-08-28 Miguel Lagos , César Retamal , Rodrigo Valle

Dynamic recrystallization is one of the main phenomena responsible for microstructure evolutions during hot forming. Consequently, getting a better understanding of DRX mechanisms and being able to predict them is crucial. This paper…

Computational Engineering, Finance, and Science · Computer Science 2022-12-14 Victor Grand , Baptiste Flipon , Alexis Gaillac , Marc Bernacki

Control over the physical properties of materials is ubiquitously required in many fields. One means by which this can be achieved is controlling the internal structure of multi-component materials with an eye to enhancing mechanical…

Soft Condensed Matter · Physics 2023-05-22 Rikuya Ishikawa , Marie Tani , Rei Kurita

Accelerating materials development requires quantitative linkages between processing, microstructure, and properties. In this work, we introduce a framework for mapping microstructure onto a low-dimensional material manifold that is…

Materials Science · Physics 2026-05-20 Simon A. Mason , Megna N. Shah , Jeffrey P. Simmons , Dennis M. Dimiduk , Stephen R. Niezgoda

Spatial profiling technologies in biology, such as imaging mass cytometry (IMC) and spatial transcriptomics (ST), generate high-dimensional, multi-channel data with strong spatial alignment and complex inter-channel relationships.…

Machine Learning · Computer Science 2025-07-08 Haoran Zhang , Mingyuan Zhou , Wesley Tansey

Diffusion models have recently become the de-facto approach for generative modeling in the 2D domain. However, extending diffusion models to 3D is challenging due to the difficulties in acquiring 3D ground truth data for training. On the…

Computer Vision and Pattern Recognition · Computer Science 2023-10-27 Jiatao Gu , Qingzhe Gao , Shuangfei Zhai , Baoquan Chen , Lingjie Liu , Josh Susskind

Designing protein sequences with specific biological functions and structural stability is crucial in biology and chemistry. Generative models already demonstrated their capabilities for reliable protein design. However, previous models are…

Machine Learning · Computer Science 2024-02-28 Lin Zongying , Li Hao , Lv Liuzhenghao , Lin Bin , Zhang Junwu , Chen Calvin Yu-Chian , Yuan Li , Tian Yonghong

Macro placement is a pivotal stage in VLSI physical design, fundamentally determining the overall chip performance. Recent data-driven placement methods have demonstrated significant potential, yet they often struggle to handle sequential…

Machine Learning · Computer Science 2026-05-19 Jongho Yoon , Jinsung Jeon , Seokhyeong Kang

Recent advancements in diffusion models have greatly improved the quality and diversity of synthesized content. To harness the expressive power of diffusion models, researchers have explored various controllable mechanisms that allow users…

Computer Vision and Pattern Recognition · Computer Science 2023-04-28 Tsai-Shien Chen , Chieh Hubert Lin , Hung-Yu Tseng , Tsung-Yi Lin , Ming-Hsuan Yang

From AlexNet to Inception, autoencoders to diffusion models, the development of novel and powerful deep learning models and learning algorithms has proceeded at breakneck speeds. In part, we believe that rapid iteration of model…

Computational Engineering, Finance, and Science · Computer Science 2022-11-17 Shehtab Zaman , Ethan Ferguson , Cecile Pereira , Denis Akhiyarov , Mauricio Araya-Polo , Kenneth Chiu

This paper reviews the current state-of-the-art in the simulation of the mechanical behavior of polycrystalline materials by means of computational homogenization. The key ingredients of this modelling strategy are presented in detail…

Materials Science · Physics 2018-11-22 J. Segurado , R. A. Lebensohn , J. LLorca

Generating realistic 3D point clouds is a fundamental problem in computer vision with applications in remote sensing, robotics, and digital object modeling. Existing generative approaches primarily capture geometry, and when semantics are…

Computer Vision and Pattern Recognition · Computer Science 2025-09-23 Gunner Stone , Sushmita Sarker , Alireza Tavakkoli

Accurate 3D aortic construction is crucial for clinical diagnosis, preoperative planning, and computational fluid dynamics (CFD) simulations, as it enables the estimation of critical hemodynamic parameters such as blood flow velocity,…

Computer Vision and Pattern Recognition · Computer Science 2025-07-21 Delin An , Pan Du , Jian-Xun Wang , Chaoli Wang

A major obstacle to establishing reliable structure-property (SP) linkages in materials engineering is the scarcity of diverse 3D microstructure datasets. Limited dataset availability and insufficient control over the analysis and design…

Materials Science · Physics 2025-11-14 Kang-Hyun Lee , Faez Ahmed

Point cloud completion aims to recover the complete 3D shape of an object from partial observations. While approaches relying on synthetic shape priors achieved promising results in this domain, their applicability and generalizability to…

Computer Vision and Pattern Recognition · Computer Science 2024-09-17 Başak Melis Öcal , Maxim Tatarchenko , Sezer Karaoglu , Theo Gevers

Crystalline or polycrystalline systems governed by odd elastic responses are known to exhibit complex dynamical behaviors involving self-propelled dynamics of topological defects with spontaneous self-rotation of chiral crystallites.…

Soft Condensed Matter · Physics 2025-11-06 Zhi-Feng Huang , Michael te Vrugt , Raphael Wittkowski , Hartmut Löwen

Generative models trained on internet-scale data are capable of generating novel and realistic texts, images, and videos. A natural next question is whether these models can advance science, for example by generating novel stable materials.…

Machine Learning · Computer Science 2024-06-05 Sherry Yang , KwangHwan Cho , Amil Merchant , Pieter Abbeel , Dale Schuurmans , Igor Mordatch , Ekin Dogus Cubuk