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The constant demand for new functional materials calls for efficient strategies to accelerate the materials design and discovery. In addressing this challenge, machine learning generative models can offer promising opportunities since they…

Materials Science · Physics 2020-06-24 Sungwon Kim , Juhwan Noh , Geun Ho Gu , Alán Aspuru-Guzik , Yousung Jung

In the present work, a machine learning based constitutive model for electro-mechanically coupled material behavior at finite deformations is proposed. Using different sets of invariants as inputs, an internal energy density is formulated…

Computational Engineering, Finance, and Science · Computer Science 2022-08-30 Dominik K. Klein , Rogelio Ortigosa , Jesús Martínez-Frutos , Oliver Weeger

Generative Adversarial Network (GAN) and its variants exhibit state-of-the-art performance in the class of generative models. To capture higher-dimensional distributions, the common learning procedure requires high computational complexity…

Machine Learning · Computer Science 2018-04-02 Xingwei Cao , Xuyang Zhao , Qibin Zhao

Future climate change scenarios are usually hypothesized using simulations from weather generators. However, there only a few works comparing and evaluating promising deep learning models for weather generation against classical approaches.…

Machine Learning · Computer Science 2021-07-21 Jorge Guevara , Dario Borges , Campbell Watson , Bianca Zadrozny

We propose an efficient computational methodology for predicting the synthesizability of high entropy oxides (HEOs) in a large space of possible candidate compounds. HEOs are a growing field with an enormous potential chemical composition…

Materials Science · Physics 2026-03-03 Oliver A. Dicks , Solveig S. Aamlid , Alannah M. Hallas , Joerg Rottler

Owing to additive manufacturing techniques, a structure at millimeter length scale (macroscale) can be produced by using a lattice substructure at micrometer length scale (microscale). Such a system is called a metamaterial at the…

Computational Engineering, Finance, and Science · Computer Science 2019-11-25 H. Yang , B. E. Abali , W. H. Müller , D. Timofeev

We present a deep learning framework based on a generative adversarial network (GAN) to perform super-resolution in coherent imaging systems. We demonstrate that this framework can enhance the resolution of both pixel size-limited and…

Computer Vision and Pattern Recognition · Computer Science 2019-03-12 Tairan Liu , Kevin de Haan , Yair Rivenson , Zhensong Wei , Xin Zeng , Yibo Zhang , Aydogan Ozcan

The macroscopic properties of materials that we observe and exploit in engineering application result from complex interactions between physics at multiple length and time scales: electronic, atomistic, defects, domains etc. Multiscale…

The availability of deep hedging has opened new horizons for solving hedging problems under a large variety of realistic market conditions. At the same time, any model - be it a traditional stochastic model or a market generator - is at…

Computational Finance · Quantitative Finance 2025-02-07 Yannick Limmer , Blanka Horvath

Recently, Generative Adversarial Networks (GANs) have emerged as a popular alternative for modeling complex high dimensional distributions. Most of the existing works implicitly assume that the clean samples from the target distribution are…

Machine Learning · Statistics 2019-02-14 Mohammadreza Soltani , Swayambhoo Jain , Abhinav Sambasivan

As technology scaling is approaching the physical limit, lithography hotspot detection has become an essential task in design for manufacturability. While the deployment of pattern matching or machine learning in hotspot detection can help…

Machine Learning · Computer Science 2021-08-02 Xuezhong Lin , Jingyu Pan , Jinming Xu , Yiran Chen , Cheng Zhuo

We train a generative diffusion model (DM) to simulate ultra-relativistic heavy-ion collisions from end to end. The model takes initial entropy density profiles as input and produces two-dimensional final particle spectra, successfully…

Nuclear Theory · Physics 2025-10-14 Jing-An Sun , Li Yan , Charles Gale , Sangyong Jeon

Adversarial training (AT) is one of the most effective defenses against adversarial attacks for deep learning models. In this work, we advocate incorporating the hypersphere embedding (HE) mechanism into the AT procedure by regularizing the…

Machine Learning · Computer Science 2020-11-26 Tianyu Pang , Xiao Yang , Yinpeng Dong , Kun Xu , Jun Zhu , Hang Su

This manuscript proposes an optimization framework to find the tailor-made functionally graded material (FGM) profiles for thermoelastic applications. This optimization framework consists of (1) a random profile generation scheme, (2) deep…

Computational Engineering, Finance, and Science · Computer Science 2024-08-27 Piyush Agrawal , Ihina Mahajan , Shivam Choubey , Manish Agrawal

Modeling shock-to-detonation phenomena in energetic materials (EMs) requires capturing complex physical processes such as strong shocks, rapid changes in microstructural morphology, and nonlinear dynamics of chemical reaction fronts. These…

Machine Learning · Computer Science 2025-10-14 Xinlun Cheng , Bingzhe Chen , Joseph Choi , Yen T. Nguyen , Pradeep Seshadri , Mayank Verma , H. S. Udaykumar , Stephen Baek

A key ingredient for semi-analytic models (SAMs) of galaxy formation is the mass assembly history of haloes, encoded in a tree structure. The most commonly used method to construct halo merger histories is based on the outcomes of…

Astrophysics of Galaxies · Physics 2022-06-28 Sandra Robles , Jonathan S. Gómez , Adín Ramírez Rivera , Nelson D. Padilla , Diego Dujovne

The distribution of resources in the subsurface is deeply linked to the variations of its physical properties. Generative modeling has long been used to predict those physical properties while quantifying the associated uncertainty. But…

Machine Learning · Computer Science 2025-10-17 Guillaume Rongier , Luk Peeters

Deep Neural Networks (DNNs) come into the limelight in High Energy Physics (HEP) in order to manipulate the increasing amount of data encountered in the next generation of accelerators. Recently, the HEP community has suggested Generative…

Quantum Physics · Physics 2021-01-28 Su Yeon Chang , Sofia Vallecorsa , Elías F. Combarro , Federico Carminati

Sea subsurface temperature, an essential component of aquatic wildlife, underwater dynamics and heat transfer with the sea surface, is affected by global warming in climate change. Existing research is commonly based on either physics-based…

Machine Learning · Computer Science 2021-11-08 Yuxin Meng , Eric Rigall , Xueen Chen , Feng Gao , Junyu Dong , Sheng Chen

We present a novel and effective approach for generating new clothing on a wearer through generative adversarial learning. Given an input image of a person and a sentence describing a different outfit, our model "redresses" the person as…

Computer Vision and Pattern Recognition · Computer Science 2017-10-23 Shizhan Zhu , Sanja Fidler , Raquel Urtasun , Dahua Lin , Chen Change Loy