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We develop a unified framework for automatic debiased machine learning (autoDML) for inference on a broad class of statistical parameters. The framework applies to any smooth functional of a nonparametric M-estimand, defined as the…

Methodology · Statistics 2026-03-23 Lars van der Laan , Aurelien Bibaut , Nathan Kallus , Alex Luedtke

The present paper proposes a Bayesian framework for inverse problems that seamlessly integrates optimization and inversion to enable rapid surrogate modeling, accurate parameter inference, and rigorous uncertainty quantification. Bayesian…

Computational Engineering, Finance, and Science · Computer Science 2026-02-05 Mihaela Chiappetta , Massimo Carraturo , Alexander Raßloff , Markus Kästner , Ferdinando Auricchio

The design process of centrifugal compressors requires applying an optimization process which is computationally expensive due to complex analytical equations underlying the compressor's dynamical equations. Although the regression…

Machine Learning · Computer Science 2023-09-07 Shadi Ghiasi , Guido Pazzi , Concettina Del Grosso , Giovanni De Magistris , Giacomo Veneri

Multichannel frequency estimation with incomplete data and miscellaneous noises arises in array signal processing, modal analysis, wireless communications, and so on. In this paper, we consider maximum-likelihood(-like) optimization methods…

Signal Processing · Electrical Eng. & Systems 2023-07-18 Xunmeng Wu , Zai Yang , Zongben Xu

This study introduces a hybrid machine learning-based scale-bridging framework for predicting the permeability of fibrous textile structures. By addressing the computational challenges inherent to multiscale modeling, the proposed approach…

Machine Learning · Computer Science 2025-07-14 Denis Korolev , Tim Schmidt , Dinesh K. Natarajan , Stefano Cassola , David May , Miro Duhovic , Michael Hintermüller

Machine learning approaches have become popular for molecular modeling tasks, including molecular force fields and properties prediction. Traditional supervised learning methods suffer from scarcity of labeled data for particular tasks,…

Chemical Physics · Physics 2022-11-29 Xiang Gao , Weihao Gao , Wenzhi Xiao , Zhirui Wang , Chong Wang , Liang Xiang

Physics-Informed Machine Learning (PIML) offers a powerful paradigm of integrating data with physical laws to address important scientific problems, such as parameter estimation, inferring hidden physics, equation discovery, and state…

Computational Engineering, Finance, and Science · Computer Science 2025-10-31 Letian Yi , Siyuan Yang , Ying Cui , Zhilu Lai

Model-based reinforcement learning promises strong sample efficiency but often underperforms in practice due to compounding model error, unimodal world models that average over multi-modal dynamics, and overconfident predictions that bias…

Machine Learning · Computer Science 2026-04-07 Mehran Aghabozorgi , Alireza Moazeni , Yanshu Zhang , Ke Li

Generative AI models have made significant progress in automating the creation of 3D shapes, which has the potential to transform car design. In engineering design and optimization, evaluating engineering metrics is crucial. To make…

Machine Learning · Computer Science 2023-06-13 Binyang Song , Chenyang Yuan , Frank Permenter , Nikos Arechiga , Faez Ahmed

Graphs are versatile tools for representing structured data. As a result, a variety of machine learning methods have been studied for graph data analysis. Although many such learning methods depend on the measurement of differences between…

Machine Learning · Statistics 2021-06-18 Tomoki Yoshida , Ichiro Takeuchi , Masayuki Karasuyama

There is growing interest in using machine learning (ML) methods for structural metamodeling due to the substantial computational cost of traditional simulations. Purely data-driven strategies often face limitations in model robustness,…

Applied Physics · Physics 2024-04-30 R. Bailey Bond , Pu Ren , Jerome F. Hajjar , Hao Sun

In engineering design, surrogate models are widely employed to replace computationally expensive simulations by leveraging design variables and geometric parameters from computer-aided design (CAD) models. However, these models often lose…

Machine Learning · Computer Science 2024-06-05 Jangseop Park , Namwoo Kang

Deep learning-based fault diagnosis (FD) approaches require a large amount of training data, which are difficult to obtain since they are located across different entities. Federated learning (FL) enables multiple clients to collaboratively…

Machine Learning · Computer Science 2023-10-16 Jixuan Cui , Jun Li , Zhen Mei , Kang Wei , Sha Wei , Ming Ding , Wen Chen , Song Guo

Machine learning (ML) systems expose a rapidly expanding configuration space spanning model-parallelism strategies, communication optimizations, and low-level runtime parameters. End-to-end system efficiency is highly sensitive to these…

Machine Learning · Computer Science 2026-03-13 Jimmy Shong , Yuhan Ding , Yihan Jiang , Liheng Jing , Haonan Chen , Gaokai Zhang , Aditya Akella , Fan Lai

The realization that AI-driven decision-making is indispensable in today's fast-paced and ultra-competitive marketplace has raised interest in industrial machine learning (ML) applications significantly. The current demand for analytics…

Machine Learning · Computer Science 2025-06-03 Marc Schmitt

In this work, we describe a new data-driven approach for inverse problems that exploits technologies from machine learning, in particular autoencoder network structures. We consider a paired autoencoder framework, where two autoencoders are…

Machine Learning · Computer Science 2025-01-27 Emma Hart , Julianne Chung , Matthias Chung

Automated machine learning (AutoML) algorithms have grown in popularity due to their high performance and flexibility to adapt to different problems and data sets. With the increasing number of AutoML algorithms, deciding which would best…

Machine Learning · Computer Science 2023-03-10 Pedro Henrique Ribeiro , Patryk Orzechowski , Joost Wagenaar , Jason H. Moore

The convergence of statistical learning and molecular physics is transforming our approach to modeling biomolecular systems. Physics-informed machine learning (PIML) offers a systematic framework that integrates data-driven inference with…

Biomolecules · Quantitative Biology 2025-11-11 Aaryesh Deshpande

Automating analog and radio-frequency (RF) circuit design using machine learning (ML) significantly reduces the time and effort required for parameter optimization. This study explores supervised ML-based approaches for designing circuit…

Machine Learning · Computer Science 2025-01-22 Asal Mehradfar , Xuzhe Zhao , Yue Niu , Sara Babakniya , Mahdi Alesheikh , Hamidreza Aghasi , Salman Avestimehr

Many real-world systems are modelled using complex ordinary differential equations (ODEs). However, the dimensionality of these systems can make them challenging to analyze. Dimensionality reduction techniques like Proper Orthogonal…

Computational Engineering, Finance, and Science · Computer Science 2025-02-26 Abhishek Ajayakumar , Soumyendu Raha
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