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Distributionally robust supervised learning (DRSL) is emerging as a key paradigm for building reliable machine learning systems for real-world applications -- reflecting the need for classifiers and predictive models that are robust to the…

Machine Learning · Computer Science 2022-01-26 Yaodong Yu , Tianyi Lin , Eric Mazumdar , Michael I. Jordan

Ray-tracing (RT) has become central to site-specific electromagnetic propagation modeling in dynamic complex environments. Yet its computational burden grows sharply as high-fidelity digital twins of these environments scale to millions of…

Signal Processing · Electrical Eng. & Systems 2026-05-19 Giacomo Melloni , Enrico M. Vitucci , Vittorio Degli Esposti , Samuel Berweger , Jack Chuang , Camillo Gentile , Nada Golmie

Predicting materials properties from composition or structure is of great interest to the materials science community. Deep learning has recently garnered considerable interest in materials predictive tasks with low model errors when…

Materials Science · Physics 2021-11-01 Chi Chen , Shyue Ping Ong

High density implants such as metals often lead to serious artifacts in the reconstructed CT images which hampers the accuracy of image based diagnosis and treatment planning. In this paper, we propose a novel wavelet frame based CT image…

Medical Physics · Physics 2017-11-21 Haimiao Zhang , Bin Dong , Baodong Liu

Decision trees (DTs) and their random forest (RF) extensions are workhorses of classification and regression in Euclidean spaces. However, algorithms for learning in non-Euclidean spaces are still limited. We extend DT and RF algorithms to…

Machine Learning · Computer Science 2025-06-10 Philippe Chlenski , Quentin Chu , Raiyan R. Khan , Kaizhu Du , Antonio Khalil Moretti , Itsik Pe'er

We present the RAW domain diffusion model (RDDM), an end-to-end diffusion model that restores photo-realistic images directly from the sensor RAW data. While recent sRGB-domain diffusion methods achieve impressive results, they are caught…

Image and Video Processing · Electrical Eng. & Systems 2026-02-03 Yan Chen , Yi Wen , Wei Li , Junchao Liu , Yong Guo , Jie Hu , Xinghao Chen

Reactive molecular dynamics (MD) simulation is performed using a reactive force field (ReaxFF). To this end, we developed a new method to optimize the ReaxFF parameters based on a machine learning approach. This approach combines the…

Chemical Physics · Physics 2018-12-11 Hiroya Nakata , Shandan Bai

High-Resolution three-dimensional (3D) radio maps (RMs) provide rich information about the radio landscape that is essential to a myriad of wireless applications in the future wireless networks. Although deep learning (DL) methods have…

Signal Processing · Electrical Eng. & Systems 2026-04-02 Lin Zhu , Weifeng Zhu , Shuowen Zhang , Giuseppe Caire , Liang Liu

Seismic full waveform inversion (FWI) has seen promising advancements through deep learning. Existing approaches typically focus on task-specific models trained and evaluated in isolation that lead to limited generalization across different…

Computational Engineering, Finance, and Science · Computer Science 2024-12-30 Koustav Ghosal , Abhranta Panigrahi , Arnav Chavan , ArunSingh , Deepak Gupta

We investigate the impact of choosing regressors and molecular representations for the construction of fast machine learning (ML) models of thirteen electronic ground-state properties of organic molecules. The performance of each…

The short-time Fourier transform (STFT) is widely used for analyzing non-stationary signals. However, its performance is highly sensitive to its parameters, and manual or heuristic tuning often yields suboptimal results. To overcome this…

Sound · Computer Science 2025-06-27 Maxime Leiber , Yosra Marnissi , Axel Barrau , Sylvain Meignen , Laurent Massoulié

We present \textsc{dm-PhiSNet}, a physically constrained \textsc{PhiSNet}-based equivariant model that predicts one-electron reduced density matrices (1-RDMs) directly from molecular geometries in an atomic-orbital (AO) basis for…

Chemical Physics · Physics 2026-05-01 Zuriel Y. Yescas-Ramos , Andrés Álvarez-García , Huziel E. Sauceda

Reflection High-Energy Electron Diffraction (RHEED) is a powerful tool to probe the surface reconstruction during MBE growth. However, raw RHEED patterns are difficult to interpret, especially when the wafer is rotating. A more accessible…

Mesoscale and Nanoscale Physics · Physics 2025-08-12 Abdourahman Khaireh-Walieh , Alexandre Arnoult , Sébastien Plissard , Peter R. Wiecha

This article investigates signal estimation in wireless transmission (i.e., receive combining) from the perspective of statistical machine learning, where the transmit signals may be from an integrated sensing and communication system; that…

Signal Processing · Electrical Eng. & Systems 2025-06-25 Shixiong Wang , Wei Dai , Geoffrey Ye Li

Magnetic Resonance Fingerprinting (MRF) is a time-efficient approach to quantitative MRI, enabling the mapping of multiple tissue properties from a single, accelerated scan. However, achieving accurate reconstructions remains challenging,…

Image and Video Processing · Electrical Eng. & Systems 2024-12-19 Perla Mayo , Carolin M. Pirkl , Alin Achim , Bjoern H. Menze , Mohammad Golbabaee

Recently, building on the foundation of neural radiance field, various techniques have emerged to learn unsigned distance fields (UDF) to reconstruct 3D non-watertight models from multi-view images. Yet, a central challenge in UDF-based…

Computer Vision and Pattern Recognition · Computer Science 2024-04-17 Junkai Deng , Fei Hou , Xuhui Chen , Wencheng Wang , Ying He

Many areas in science and engineering now have access to technologies that enable the rapid collection of overwhelming data volumes. While these datasets are vital for understanding phenomena from physical to biological and social systems,…

Signal Processing · Electrical Eng. & Systems 2026-01-14 Nicholas P. Bertrand , Eva Yezerets , Han Lun Yap , Adam S. Charles , Christopher J. Rozell

Time series are ubiquitous in many applications that involve forecasting, classification and causal inference tasks, such as healthcare, finance, audio signal processing and climate sciences. Still, large, high-quality time series datasets…

Machine Learning · Computer Science 2025-11-25 Yu-Hsiang Wang , Olgica Milenkovic

We propose a function-valued evaluation metric for generative models based on the relative density ratio (RDR) designed to characterize distributional differences between real and generated samples. As an evaluation metric, the RDR function…

Methodology · Statistics 2025-12-29 Yuliang Xu , Yun Wei , Li Ma

Medical ultrasound provides images which are the spatial map of the tissue echogenicity. Unfortunately, an ultrasound image is a low-quality version of the expected Tissue Reflectivity Function (TRF) mainly due to the non-ideal Point Spread…

Image and Video Processing · Electrical Eng. & Systems 2021-09-28 Sobhan Goudarzi , Hassan Rivaz