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Extracting compact, physically interpretable representations from high-dimensional scientific data is a persistent challenge due to the complex, nonlinear structures inherent in physical systems. We propose a Gaussian Mixture Variational…

Machine Learning · Computer Science 2025-12-01 Tiffany Fan , Murray Cutforth , Marta D'Elia , Alexandre Cortiella , Alireza Doostan , Eric Darve

As the amount and variety of energetics research increases, machine aware topic identification is necessary to streamline future research pipelines. The makeup of an automatic topic identification process consists of creating document…

Computation and Language · Computer Science 2022-06-03 Monica Puerto , Mason Kellett , Rodanthi Nikopoulou , Mark D. Fuge , Ruth Doherty , Peter W. Chung , Zois Boukouvalas

In this review, we examine the problem of designing interpretable and explainable machine learning models. Interpretability and explainability lie at the core of many machine learning and statistical applications in medicine, economics,…

Machine Learning · Computer Science 2023-03-02 Ričards Marcinkevičs , Julia E. Vogt

X-ray absorption spectroscopy at the L-edge probes transitions of 2p-electrons into unoccupied d-states. Applied to transition metal atoms, this experimental technique can provide valuable information about the electronic structure of…

Materials Science · Physics 2021-02-03 Johann Lueder

Multimodal deep learning has been used to predict clinical endpoints and diagnoses from clinical routine data. However, these models suffer from scaling issues: they have to learn pairwise interactions between each piece of information in…

Image decomposition aims to analyze an image into elementary components, which is essential for numerous downstream tasks and also by nature provides certain interpretability to the analysis. Deep learning can be powerful for such tasks,…

Computer Vision and Pattern Recognition · Computer Science 2025-01-03 Sihan Wang , Shangqi Gao , Fuping Wu , Xiahai Zhuang

Modern TEM instrumentation can probe a wide range of structural, optical, and chemical properties with unprecedented resolution. However, each of these properties must be recorded in independent datasets using different detector modes with…

Materials Science · Physics 2023-01-16 Thomas Thersleff , Cheuk-Wai Tai

Wildfires present intricate challenges for prediction, necessitating the use of sophisticated machine learning techniques for effective modeling\cite{jain2020review}. In our research, we conducted a thorough assessment of various machine…

Machine Learning · Computer Science 2024-04-03 Di Fan , Ayan Biswas , James Paul Ahrens

State-of-the-art image-set matching techniques typically implicitly model each image-set with a Gaussian distribution. Here, we propose to go beyond these representations and model image-sets as probability distribution functions (PDFs)…

Computer Vision and Pattern Recognition · Computer Science 2015-08-03 Mehrtash Harandi , Mathieu Salzmann , Mahsa Baktashmotlagh

We introduce a novel approach for scanned document representation to perform field extraction. It allows the simultaneous encoding of the textual, visual and layout information in a 3-axis tensor used as an input to a segmentation model. We…

Computer Vision and Pattern Recognition · Computer Science 2021-07-06 Mohamed Kerroumi , Othmane Sayem , Aymen Shabou

Developing a suitable Deep Neural Network (DNN) often requires significant iteration, where different model versions are evaluated and compared. While metrics such as accuracy are a powerful means to succinctly describe a model's…

Machine Learning · Computer Science 2022-01-28 Eldon Schoop , Ben Wedin , Andrei Kapishnikov , Tolga Bolukbasi , Michael Terry

Metal-organic framework (MOFs) are nanoporous materials that could be used to capture carbon dioxide from the exhaust gas of fossil fuel power plants to mitigate climate change. In this work, we design and train a message passing neural…

Materials Science · Physics 2020-12-08 Ali Raza , Faaiq Waqar , Arni Sturluson , Cory Simon , Xiaoli Fern

Machine learning methods can be a valuable aid in the scientific process, but they need to face challenging settings where data come from inhomogeneous experimental conditions. Recent meta-learning methods have made significant progress in…

Machine Learning · Computer Science 2024-03-21 Matthieu Blanke , Marc Lelarge

X-ray Photoelectron Spectroscopy (XPS) is a crucial technique for material surface analysis, yet interpreting its spectra is often challenging for both human analysts and automated methods due to the prevalence of variable spectral shifts…

Materials Science · Physics 2026-03-06 Issa Saddiq , Yuxin Fan , Robert G. Palgrave , Mark A. Isaacs , David Morgan , Keith T. Butler

Deep learning has driven significant advances in medical image analysis, yet its adoption in clinical practice remains constrained by the large size and lack of transparency in modern models. Advances in interpretability techniques such as…

Computer Vision and Pattern Recognition · Computer Science 2025-09-23 Nikita Malik , Pratinav Seth , Neeraj Kumar Singh , Chintan Chitroda , Vinay Kumar Sankarapu

The discovery and optimization of materials for specific applications is hampered by the practically infinite number of possible elemental combinations and associated properties, also known as the `combinatorial explosion'. By nature of the…

Computation and Language · Computer Science 2025-06-11 Lei Zhang , Markus Stricker

Neutrinos can experience fast flavor conversions (FFCs) in highly dense astrophysical environments, such as core-collapse supernovae and neutron star mergers, potentially affecting energy transport and other processes. Simulating fast…

High Energy Astrophysical Phenomena · Physics 2026-03-23 Haihao Shi , Zhenyang Huang , Qiyu Yan , Junda Zhou , Guoliang Lü , Xuefei Chen

Machine learning models have become more and more complex in order to better approximate complex functions. Although fruitful in many domains, the added complexity has come at the cost of model interpretability. The once popular k-nearest…

The fidelity with which neural networks can now generate content such as music presents a scientific opportunity: these systems appear to have learned implicit theories of such content's structure through statistical learning alone. This…

Sound · Computer Science 2026-03-03 Nikhil Singh , Manuel Cherep , Pattie Maes

Multi-target regression is useful in a plethora of applications. Although random forest models perform well in these tasks, they are often difficult to interpret. Interpretability is crucial in machine learning, especially when it can…

Machine Learning · Computer Science 2023-03-30 Avraam Bardos , Nikolaos Mylonas , Ioannis Mollas , Grigorios Tsoumakas
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