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The latest sheet stamping processes enable efficient manufacturing of complex shape structural components that have high stiffness to weight ratios, but these processes can introduce defects. To assist component design for stamping…

Machine Learning · Computer Science 2022-02-09 Hamid Reza Attar , Alistair Foster , Nan Li

In traditional topology optimization, the computing time required to iteratively update the material distribution within a design domain strongly depends on the complexity or size of the problem, limiting its application in real engineering…

Computational Engineering, Finance, and Science · Computer Science 2024-05-14 Gabriel Garayalde , Matteo Torzoni , Matteo Bruggi , Alberto Corigliano

Recent advances in Foundation Models for Materials Science are poised to revolutionize the discovery, manufacture, and design of novel materials with tailored properties and responses. Although great strides have been made, successes have…

Machine Learning · Computer Science 2025-06-16 Michael Buzzy , Andreas Robertson , Peng Chen , Surya Kalidindi

Many important multi-component crystalline solids undergo mechanochemical spinodal decomposition: a phase transformation in which the compositional redistribution is coupled with structural changes of the crystal, resulting in dynamically…

Computational Engineering, Finance, and Science · Computer Science 2023-07-19 Xiaoxuan Zhang , Krishna Garikipati

In this work, we propose a multi-stage training strategy for the development of deep learning algorithms applied to problems with multiscale features. Each stage of the pro-posed strategy shares an (almost) identical network structure and…

Numerical Analysis · Mathematics 2020-09-25 Eric Chung , Wing Tat Leung , Sai-Mang Pun , Zecheng Zhang

The discovery and optimization of phase-change and shape memory alloys remain a tedious and expensive process. Here a simple computational method is proposed to determine the ideal phase-change material for a given alloy composed of three…

Materials Science · Physics 2019-03-05 Nicholas A. Pike , Amina Matt , Ole M. Løvvik

High performance sheet metals with a multi-phase microstructure suffer from deformation induced damage formation during forming in the constituent phases but importantly also where these intersect. To capture damage in terms of the physical…

Autonomous vehicles demand high accuracy and robustness of perception algorithms. To develop efficient and scalable perception algorithms, the maximum information should be extracted from the available sensor data. In this work, we present…

Computer Vision and Pattern Recognition · Computer Science 2023-05-12 Sebastian Huch , Florian Sauerbeck , Johannes Betz

Inverse material design is a cornerstone challenge in materials science, with significant applications across many industries. Traditional approaches that invert the structure-property (SP) linkage to identify microstructures with targeted…

Materials Science · Physics 2024-08-05 Yaohua Zang , Phaedon-Stelios Koutsourelakis

Parameter-efficient fine-tuning aims to achieve performance comparable to fine-tuning, using fewer trainable parameters. Several strategies (e.g., Adapters, prefix tuning, BitFit, and LoRA) have been proposed. However, their designs are…

Computation and Language · Computer Science 2023-01-06 Jiaao Chen , Aston Zhang , Xingjian Shi , Mu Li , Alex Smola , Diyi Yang

Magnesium alloys are attractive options for temporary bio-implants because of their biocompatibility, controlled corrosion rate, and similarity to natural bone in terms of stiffness and density. Nevertheless, their low mechanical strength…

Materials Science · Physics 2023-05-23 Parham Valipoorsalimi , Yuksel Asli Sari , Mihriban Pekguleryuz

This paper proposes a reinforcement learning framework for performance-driven structural design that combines bottom-up design generation with learned strategies to efficiently search large combinatorial design spaces. Motivated by the…

Computational Engineering, Finance, and Science · Computer Science 2025-07-31 Chloe S. H. Hong , Keith J. Lee , Caitlin T. Mueller

Advances in hybrid bonding and packaging have driven growing interest in 3D DRAM-stacked accelerators with higher memory bandwidth and capacity. As LLMs scale to hundreds of billions or trillions of parameters, distributed inference across…

Immersed finite element methods provide a convenient analysis framework for problems involving geometrically complex domains, such as those found in topology optimization and microstructures for engineered materials. However, their…

Numerical Analysis · Mathematics 2025-01-30 Nils Wunsch , Keenan Doble , Mathias R. Schmidt , Lise Noël , John A. Evans , Kurt Maute

This paper introduces a new probabilistic framework for supervised learning in neural systems. It is designed to model complex, uncertain systems whose random outputs are strongly non-Gaussian given deterministic inputs. The architecture…

Machine Learning · Statistics 2025-12-12 Christian Soize

Machine learning interatomic potentials (MLIPs) have become widely used tools in atomistic simulations. For much of the history of this field, the most commonly employed architectures were based on short-ranged atomic energy contributions,…

Chemical Physics · Physics 2026-03-17 William J. Baldwin , Ilyes Batatia , Martin Vondrák , Johannes T. Margraf , Gábor Csányi

Since the surge of data in materials science research and the advancement in machine learning methods, an increasing number of researchers are introducing machine learning techniques into the next generation of materials discovery, ranging…

Soft Condensed Matter · Physics 2024-08-12 Maya M. Martirossyan , Hongjin Du , Julia Dshemuchadse , Chrisy Xiyu Du

Electronic materials exhibiting phase transitions between metastable states (e.g., metal-insulator transition materials with abrupt electrical resistivity transformations) are challenging to decode. For these materials, conventional machine…

Materials Science · Physics 2020-11-09 Yiqun Wang , Akshay Iyer , Wei Chen , James M. Rondinelli

Aluminum alloys are increasingly utilized as lightweight materials in the automobile industry due to their superior capability in withstanding high mechanical loads. A significant challenge impeding the large-scale use of these alloys in…

Computational Engineering, Finance, and Science · Computer Science 2022-03-31 Shiguang Deng , Carl Soderhjelm , Diran Apelian , Ramin Bostanabad

The vastness of the space of possible multicomponent metal alloys is hoped to provide improved structural materials but also challenges traditional, low-throughput materials design efforts. Computational screening could narrow this search…