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This tutorial provides a comprehensive survey of methods for fine-tuning diffusion models to optimize downstream reward functions. While diffusion models are widely known to provide excellent generative modeling capability, practical…

Machine Learning · Computer Science 2024-07-19 Masatoshi Uehara , Yulai Zhao , Tommaso Biancalani , Sergey Levine

Machine learning (ML) methods are being used in almost every conceivable area of electronic structure theory and molecular simulation. In particular, ML has become firmly established in the construction of high-dimensional interatomic…

Chemical Physics · Physics 2021-06-22 Julia Westermayr , Michael Gastegger , Kristof T. Schütt , Reinhard J. Maurer

Evaluating the mechanical response of fiber-reinforced composites can be extremely time consuming and expensive. Machine learning (ML) techniques offer a means for faster predictions via models trained on existing input-output pairs and…

Materials Science · Physics 2024-10-03 Yixuan Sun , Imad Hanhan , Michael D. Sangid , Guang Lin

Optical resonators are widely used in modern photonics. Their spectral response and temporal dynamics are fundamentally driven by their natural resonances, the so-called quasinormal modes (QNMs), with complex frequencies. For optical…

Metasurfaces are subwavelength-structured artificial media that can shape and localize electromagnetic waves in unique ways. The inverse design of these devices is a non-convex optimization problem in a high dimensional space, making global…

Computational Physics · Physics 2019-11-22 Jiaqi Jiang , Jonathan A. Fan

The simulation of nanophotonic structures relies on electromagnetic solvers, which play a crucial role in understanding their behavior. However, these solvers often come with a significant computational cost, making their application in…

Machine Learning · Computer Science 2024-05-22 Liang Cheng , Prashant Singh , Francesco Ferranti

One emerging application of machine learning methods is the inference of galaxy cluster masses. In this note, machine learning is used to directly combine five simulated multiwavelength measurements in order to find cluster masses. This is…

Cosmology and Nongalactic Astrophysics · Physics 2020-01-08 J. D. Cohn , Nicholas Battaglia

We present a parameter-decoupled superresolution framework for estimating sub-wavelength separations of passive two-point sources without requiring prior knowledge or control of the source. Our theoretical foundation circumvents the need to…

Machine learning (ML) can facilitate efficient thermoelectric (TE) material discovery essential to address the environmental crisis. However, ML models often suffer from poor experimental generalizability despite high metrics. This study…

Materials Science · Physics 2026-02-03 Shoeb Athar , Adrien Mecibah , Philippe Jund

Advent in machine learning is leaving a deep impact on various sectors including the material science domain. The present paper highlights the application of various supervised machine learning regression algorithms such as polynomial…

Materials Science · Physics 2021-07-27 Akshansh Mishra , Devarrishi Dixit

Despite significant efforts, the realization of the hybrid quantum-classical algorithms has predominantly been confined to proof-of-principles, mainly due to the hardware noise. With fault-tolerant implementation being a long-term goal,…

Quantum Physics · Physics 2025-04-10 Srushti Patil , Dibyendu Mondal , Rahul Maitra

The resonator is one of the main building blocks of a plethora of photonic and microwave devices from nanolasers to compact biosensors and magnetic resonance scanners. The symmetry of the resonators is tightly related to their mode…

Optics · Physics 2026-01-27 Sergey Gladyshev , Kristina Frizyuk , Andrey Bogdanov

Machine learning (ML) has become a versatile tool for analyzing anomalous diffusion trajectories, yet most existing pipelines are trained on large collections of simulated data. In contrast, experimental trajectories, such as those from…

Biological Physics · Physics 2025-12-10 Gongyi Wang , Yu Zhang , Zihan Huang

The predictive accuracy of density functional theory (DFT) for alloy formation enthalpies is often limited by intrinsic energy resolution errors, particularly in ternary phase stability calculations. In this work, we present a machine…

Materials Science · Physics 2025-03-10 Sergei I. Simak , Erna K. Delczeg-Czirjak , Olle Eriksson

Here, we report the development of a detailed "Materials Informatics" framework for the design of acoustic coatings for underwater sound attenuation through integrating Machine Learning (ML) and statistical optimization algorithms with a…

Signal Processing · Electrical Eng. & Systems 2022-03-10 Hansani Weeratunge , Zakiya Shireen , Sagar Iyer , Richard Sandberg , Saman Halgamuge , Adrian Menzel , Andrew Phillips , Elnaz Hajizadeh

Self-driving labs (SDLs), employing automation and machine learning (ML) to accelerate experimental procedures, have enormous potential in the discovery of new materials. However, in thin film science, SDLs are mainly restricted to…

Machine Learning · Computer Science 2026-01-12 Sanna Jarl , Jens Sjölund , Robert J. W. Frost , Anders Holst , Jonathan J. S. Scragg

A very active area of materials research is to devise methods that use machine learning to automatically extract predictive models from existing materials data. While prior examples have demonstrated successful models for some applications,…

Materials Science · Physics 2016-08-29 Logan Ward , Ankit Agrawal , Alok Choudhary , Christopher Wolverton

Diffusion models are widely used in applications ranging from image generation to inverse problems. However, training diffusion models typically requires clean ground-truth images, which are unavailable in many applications. We introduce…

Image and Video Processing · Electrical Eng. & Systems 2025-05-20 Chicago Y. Park , Shirin Shoushtari , Hongyu An , Ulugbek S. Kamilov

Hyperspectral unmixing is an important remote sensing task with applications including material identification and analysis. Characteristic spectral features make many pure materials identifiable from their visible-to-infrared spectra, but…

Computer Vision and Pattern Recognition · Computer Science 2020-07-14 John Janiczek , Parth Thaker , Gautam Dasarathy , Christopher S. Edwards , Philip Christensen , Suren Jayasuriya

By exploiting the correlation between the structure and the solution of Mixed-Integer Linear Programming (MILP), Machine Learning (ML) has become a promising method for solving large-scale MILP problems. Existing ML-based MILP solvers…

Machine Learning · Computer Science 2025-01-03 Yixuan Li , Can Chen , Jiajun Li , Jiahui Duan , Xiongwei Han , Tao Zhong , Vincent Chau , Weiwei Wu , Wanyuan Wang
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