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A key goal of unsupervised learning is to go beyond density estimation and sample generation to reveal the structure inherent within observed data. Such structure can be expressed in the pattern of interactions between explanatory latent…

Machine Learning · Computer Science 2022-11-11 Changmin Yu , Hugo Soulat , Neil Burgess , Maneesh Sahani

Graph Neural Networks (GNNs) are the dominant architecture for molecular machine learning, particularly for molecular property prediction and machine learning interatomic potentials (MLIPs). GNNs perform message passing on predefined graphs…

Machine Learning · Computer Science 2025-10-03 Tobias Kreiman , Yutong Bai , Fadi Atieh , Elizabeth Weaver , Eric Qu , Aditi S. Krishnapriyan

Convolutional networks are large linear systems divided into layers and connected by non-linear units. These units are the "articulations" that allow the network to adapt to the input. To understand how a network manages to solve a problem…

Computer Vision and Pattern Recognition · Computer Science 2019-11-15 Pablo Navarrete Michelini , Hanwen Liu , Yunhua Lu , Xingqun Jiang

The capability of making interpretable and self-explanatory decisions is essential for developing responsible machine learning systems. In this work, we study the learning to explain problem in the scope of inductive logic programming…

Artificial Intelligence · Computer Science 2020-02-20 Yuan Yang , Le Song

This paper presents a novel framework for stabilizing nonlinear systems represented in state-dependent form. We first reformulate the nonlinear dynamics as a state-dependent parameter-varying model and synthesize a stabilizing controller…

Systems and Control · Electrical Eng. & Systems 2025-10-21 Lidong Li , Rui Huang , Lin Zhao

Understanding natural and engineered systems often relies on symbolic formulations, such as differential equations, which provide interpretability and transferability beyond black-box models. We introduce Latent Grammar Flow (LGF), a…

Machine Learning · Computer Science 2026-04-20 Karin Yu , Eleni Chatzi , Georgios Kissas

Many scientific and geometric problems exhibit general linear symmetries, yet most equivariant neural networks are built for compact groups or simple vector features, limiting their reuse on matrix-valued data such as covariances, inertias,…

Machine Learning · Computer Science 2026-02-02 Chankyo Kim , Sicheng Zhao , Minghan Zhu , Tzu-Yuan Lin , Maani Ghaffari

Real-time particle transverse momentum ($p_T$) estimation in high-energy physics demands algorithms that are both efficient and accurate under strict hardware constraints. Static machine learning models degrade under high pileup and lack…

Machine Learning · Computer Science 2026-04-21 Md Abrar Jahin , Shahriar Soudeep , M. F. Mridha , Muhammad Mostafa Monowar , Md. Abdul Hamid

Designing Luenberger observers for nonlinear systems involves the challenging task of transforming the state to an alternate coordinate system, possibly of higher dimensions, where the system is asymptotically stable and linear up to output…

Optimization and Control · Mathematics 2023-04-06 Muhammad Umar B. Niazi , John Cao , Xudong Sun , Amritam Das , Karl Henrik Johansson

In this paper, we introduce Random Path Generative Adversarial Network (RPGAN) -- an alternative design of GANs that can serve as a tool for generative model analysis. While the latent space of a typical GAN consists of input vectors,…

Computer Vision and Pattern Recognition · Computer Science 2020-02-19 Andrey Voynov , Artem Babenko

Modeling the time-dependent evolution of electron density is essential for understanding quantum mechanical behaviors of condensed matter and enabling predictive simulations in spectroscopy, photochemistry, and ultrafast science. Yet, while…

Computational Physics · Physics 2025-09-03 Yuan Chiang , Youngsoo Choi , Daniel Osei-Kuffuor

While physics conveys knowledge of nature built from an interplay between observations and theory, it has been considered less importantly in deep neural networks. Especially, there are few works leveraging physics behaviors when the…

Machine Learning · Computer Science 2019-02-12 Sungyong Seo , Yan Liu

The difficult problem of relating the static structure of glassy liquids and their dynamics is a good target for Machine Learning, an approach which excels at finding complex patterns hidden in data. Indeed, this approach is currently a hot…

Soft Condensed Matter · Physics 2024-05-29 Francesco Saverio Pezzicoli , Guillaume Charpiat , François P. Landes

The gamma belief network (GBN), often regarded as a deep topic model, has demonstrated its potential for uncovering multi-layer interpretable latent representations in text data. Its notable capability to acquire interpretable latent…

Machine Learning · Computer Science 2024-08-16 Zhibin Duan , Tiansheng Wen , Muyao Wang , Bo Chen , Mingyuan Zhou

While neural networks are good at learning unspecified functions from training samples, they cannot be directly implemented in hardware and are often not interpretable or formally verifiable. On the other hand, logic circuits are…

Machine Learning · Computer Science 2020-06-09 Tobias Brudermueller , Dennis L. Shung , Adrian J. Stanley , Johannes Stegmaier , Smita Krishnaswamy

Partial Differential Equations (PDEs) with high dimensionality are commonly encountered in computational physics and engineering. However, finding solutions for these PDEs can be computationally expensive, making model-order reduction…

Machine Learning · Statistics 2023-03-07 Sebastian Kaltenbach , Phaedon-Stelios Koutsourelakis , Petros Koumoutsakos

Neural networks are powerful function approximators, yet their ``black-box" nature often renders them opaque and difficult to interpret. While many post-hoc explanation methods exist, they typically fail to capture the underlying reasoning…

Machine Learning · Computer Science 2024-08-29 Nisal Ranasinghe , Yu Xia , Sachith Seneviratne , Saman Halgamuge

Understanding how complex systems respond to perturbations, such as whether they will remain stable or what their most sensitive patterns are, is a fundamental challenge across science and engineering. Traditional stability and receptivity…

Fluid Dynamics · Physics 2026-04-28 Chengyun Wang , Liwei Chen , Nils Thuerey

The ability to generate physically plausible ensembles of variable sources is critical to the optimization of time-domain survey cadences and the training of classification models on datasets with few to no labels. Traditional data…

Instrumentation and Methods for Astrophysics · Physics 2020-05-19 Jorge Martínez-Palomera , Joshua S. Bloom , Ellianna S. Abrahams

Nowadays, it is broadly recognized in the power system community that to meet the ever expanding energy sector's needs, it is no longer possible to rely solely on physics-based models and that reliable, timely and sustainable operation of…

Machine Learning · Computer Science 2022-11-16 Yuzhou Chen , Tian Jiang , Miguel Heleno , Alexandre Moreira , Yulia R. Gel