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Equivariant diffusion models have emerged as the prevailing approach for generating novel crystal materials due to their ability to leverage the physical symmetries of periodic material structures. However, current models do not effectively…

Machine Learning · Computer Science 2025-03-04 Kishalay Das , Subhojyoti Khastagir , Pawan Goyal , Seung-Cheol Lee , Satadeep Bhattacharjee , Niloy Ganguly

In this paper, we propose a unified framework based on equivariance for the design of artificial intelligence (AI)-assisted technologies in multi-user multiple-input-multiple-output (MU-MIMO) systems. We first provide definitions of…

Signal Processing · Electrical Eng. & Systems 2025-08-12 Yafei Wang , Hongwei Hou , Xinping Yi , Wenjin Wang , Shi Jin

Beyond the scope of conventional metasurface which necessitates plenty of computational resources and time, an inverse design approach using machine learning algorithms promises an effective way for metasurfaces design. In this paper,…

Signal Processing · Electrical Eng. & Systems 2021-01-27 Fardin Ghorbani , Sina Beyraghi , Javad Shabanpour , Homayoon Oraizi , Hossein Soleimani , Mohammad Soleimani

Learning joint embedding space for various modalities is of vital importance for multimodal fusion. Mainstream modality fusion approaches fail to achieve this goal, leaving a modality gap which heavily affects cross-modal fusion. In this…

Computer Vision and Pattern Recognition · Computer Science 2020-12-11 Sijie Mai , Haifeng Hu , Songlong Xing

Machine learning methods have found novel application areas in various disciplines as they offer low-computational cost solutions to complex problems. Recently, metasurface design has joined among these applications, and neural networks…

Applied Physics · Physics 2020-10-07 Ibrahim Tanriover , Wisnu Hadibrata , Koray Aydin

We propose a new way of constructing invertible neural networks by combining simple building blocks with a novel set of composition rules. This leads to a rich set of invertible architectures, including those similar to ResNets. Inversion…

Machine Learning · Computer Science 2019-10-30 Yang Song , Chenlin Meng , Stefano Ermon

Developing accurate, transferable and computationally inexpensive machine learning models can rapidly accelerate the discovery and development of new materials. Some of the major challenges involved in developing such models are, (i)…

Inverse design of solid-state materials with desired properties represents a formidable challenge in materials science. Although recent generative models have demonstrated potential, their adoption has been hindered by limitations such as…

Materials Science · Physics 2024-08-15 Yan Chen , Xueru Wang , Xiaobin Deng , Yilun Liu , Xi Chen , Yunwei Zhang , Lei Wang , Hang Xiao

We report a flexible multi-modal mechanics language model, MeLM, applied to solve various nonlinear forward and inverse problems, that can deal with a set of instructions, numbers and microstructure data. The framework is applied to various…

Materials Science · Physics 2023-10-20 Markus J. Buehler

Reticular materials, including metal-organic frameworks and covalent organic frameworks, combine relative ease of synthesis and an impressive range of applications in various fields, from gas storage to biomedicine. Diverse properties arise…

Materials Science · Physics 2024-03-11 Vadim Korolev , Artem Mitrofanov

Crystal graph neural networks are widely applicable in modeling experimentally synthesized compounds and hypothetical materials with unknown synthesizability. In contrast, structure-agnostic predictive algorithms allow exploring previously…

Materials Science · Physics 2025-11-06 Ivan Rubtsov , Ivan Dudakov , Yuri Kuratov , Vadim Korolev

Amorphous materials are solids that lack long-range atomic order but possess complex short- and medium-range order. Unlike crystalline materials that can be described by unit cells containing few up to hundreds of atoms, amorphous materials…

Machine Learning · Computer Science 2026-04-01 Yan Lin , Jonas A. Finkler , Tao Du , Jilin Hu , Morten M. Smedskjaer

Metasurfaces have shown promising potentials in shaping optical wavefronts while remaining compact compared to bulky geometric optics devices. Design of meta-atoms, the fundamental building blocks of metasurfaces, relies on trial-and-error…

Perceptual learning enables humans to recognize and represent stimuli invariant to various transformations and build a consistent representation of the self and physical world. Such representations preserve the invariant physical relations…

Neural and Evolutionary Computing · Computer Science 2020-07-02 Du Xiaorui , Yavuzhan Erdem , Immanuel Schweizer , Cristian Axenie

I present IGAN (Inferent Generative Adversarial Networks), a neural architecture that learns both a generative and an inference model on a complex high dimensional data distribution, i.e. a bidirectional mapping between data samples and a…

Machine Learning · Computer Science 2024-09-04 Luc Vignaud

The ability of the Generative Adversarial Networks (GANs) framework to learn generative models mapping from simple latent distributions to arbitrarily complex data distributions has been demonstrated empirically, with compelling results…

Machine Learning · Computer Science 2017-04-05 Jeff Donahue , Philipp Krähenbühl , Trevor Darrell

Stochastic microstructure reconstruction has become an indispensable part of computational materials science, but ongoing developments are specific to particular material systems. In this paper, we address this generality problem by…

Materials Science · Physics 2018-05-09 Xiaolin Li , Yichi Zhang , He Zhao , Craig Burkhart , L Catherine Brinson , Wei Chen

Accurate prediction of physical properties is critical for discovering and designing novel materials. Machine learning technologies have attracted significant attention in the materials science community for their potential for large-scale…

Materials Science · Physics 2021-11-24 Boyu Zhang , Mushen Zhou , Jianzhong Wu , Fuchang Gao

The Matrix-Element Method (MEM) has long been a cornerstone of data analysis in high-energy physics. It leverages theoretical knowledge of parton-level processes and symmetries to evaluate the likelihood of observed events. In parallel, the…

High Energy Physics - Phenomenology · Physics 2024-10-25 Daniel Maître , Vishal S. Ngairangbam , Michael Spannowsky

Deep learning is a promising, ultra-fast approach for inverse design in nano-optics, but despite fast advancement of the field, the computational cost of dataset generation, as well as of the training procedure itself remains a major…