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Scientific modeling faces a tradeoff between the interpretability of mechanistic theory and the predictive power of machine learning. While existing hybrid approaches have made progress by incorporating domain knowledge into machine…

Machine Learning · Computer Science 2026-04-15 Carson Dudley , Reiden Magdaleno , Christopher Harding , Marisa Eisenberg

Mixture Density Networks (MDNs) can be used to generate probability density functions of model parameters $\boldsymbol{\theta}$ given a set of observables $\mathbf{x}$. In some applications, training data are available only for discrete…

Data Analysis, Statistics and Probability · Physics 2021-08-18 Charles Burton , Spencer Stubbs , Peter Onyisi

Classification and identification of the materials lying over or beneath the Earth's surface have long been a fundamental but challenging research topic in geoscience and remote sensing (RS) and have garnered a growing concern owing to the…

Computer Vision and Pattern Recognition · Computer Science 2020-08-13 Danfeng Hong , Lianru Gao , Naoto Yokoya , Jing Yao , Jocelyn Chanussot , Qian Du , Bing Zhang

In this work, we demonstrate how physical principles -- such as symmetries, invariances, and conservation laws -- can be integrated into the dynamic mode decomposition (DMD). DMD is a widely-used data analysis technique that extracts…

Dynamical Systems · Mathematics 2021-12-09 Peter J. Baddoo , Benjamin Herrmann , Beverley J. McKeon , J. Nathan Kutz , Steven L. Brunton

Translating machine learning algorithms into clinical applications requires addressing challenges related to interpretability, such as accounting for the effect of confounding variables (or metadata). Confounding variables affect the…

Machine Learning · Computer Science 2022-07-12 Anthony Vento , Qingyu Zhao , Robert Paul , Kilian M. Pohl , Ehsan Adeli

Prediction and control of chemical mixing are vital for many scientific areas such as subsurface reactive transport, climate modeling, combustion, epidemiology, and pharmacology. Due to the complex nature of mixing in heterogeneous and…

Machine Learning · Computer Science 2021-12-15 N. V. Jagtap , M. K. Mudunuru , K. B. Nakshatrala

Multimodal deep learning (MDL) has emerged as a transformative approach in computational pathology. By integrating complementary information from multiple data sources, MDL models have demonstrated superior predictive performance across…

Quantitative Methods · Quantitative Biology 2025-11-17 Seth Alain Chang , Muhammad Mueez Amjad , Noorul Wahab , Ethar Alzaid , Nasir Rajpoot , Adam Shephard

Physics-based and first-principles models pervade the engineering and physical sciences, allowing for the ability to model the dynamics of complex systems with a prescribed accuracy. The approximations used in deriving governing equations…

Machine Learning · Statistics 2023-11-03 Megan R. Ebers , Katherine M. Steele , J. Nathan Kutz

Prevalent in biomedical applications (e.g., human phenotype research), multimodal datasets can provide valuable insights into the underlying physiological mechanisms. However, current machine learning (ML) models designed to analyze these…

Maximum mean discrepancy (MMD) has been successfully applied to learn deep generative models for characterizing a joint distribution of variables via kernel mean embedding. In this paper, we present conditional generative moment- matching…

Machine Learning · Computer Science 2016-06-15 Yong Ren , Jialian Li , Yucen Luo , Jun Zhu

Dataset distillation compresses large training sets into compact synthetic datasets while preserving downstream performance. As modern systems increasingly operate on paired vision-language inputs, multimodal distillation must preserve…

Computer Vision and Pattern Recognition · Computer Science 2026-05-25 Jongoh Jeong , Hoyong Kwon , Minseok Kim , Kuk-Jin Yoon

Multimodal learning typically relies on the assumption that all modalities are fully available during both the training and inference phases. However, in real-world scenarios, consistently acquiring complete multimodal data presents…

Computer Vision and Pattern Recognition · Computer Science 2024-07-18 Donggeun Kim , Taesup Kim

This work presents a methodology for modeling and predicting human behavior in settings with N humans interacting in highly multimodal scenarios (i.e. where there are many possible highly-distinct futures). A motivating example includes…

Robotics · Computer Science 2018-07-27 Boris Ivanovic , Edward Schmerling , Karen Leung , Marco Pavone

Most common mechanistic models are traditionally presented in mathematical forms to explain a given physical phenomenon. Machine learning algorithms, on the other hand, provide a mechanism to map the input data to output without explicitly…

Machine Learning · Computer Science 2020-12-22 Waad Subber , Piyush Pandita , Sayan Ghosh , Genghis Khan , Liping Wang , Roger Ghanem

Accurate prediction of molecular properties in complex chemical systems is crucial for accelerating material discovery and chemical innovation. However, current computational methods often struggle to capture the intricate compositional…

Chemical Physics · Physics 2025-09-24 Jinming Fan , Chao Qian , Shaodong Zhou

In scientific and engineering domains, modeling high-dimensional complex systems governed by partial differential equations (PDEs) remains challenging in terms of physical consistency and numerical stability. However, existing approaches,…

Instrumentation and Methods for Astrophysics · Physics 2026-03-03 Siqi Wang , Mengmeng Zhang , Yude Bu , Chaozhou Mou

Deep generative models with latent variables have been used lately to learn joint representations and generative processes from multi-modal data. These two learning mechanisms can, however, conflict with each other and representations can…

Machine Learning · Computer Science 2023-01-24 Rogelio A. Mancisidor , Michael Kampffmeyer , Kjersti Aas , Robert Jenssen

In many scientific fields, the generation and evolution of data are governed by partial differential equations (PDEs) which are typically informed by established physical laws at the macroscopic level to describe general and predictable…

Methodology · Statistics 2025-07-01 Ziyuan Chen , Shunxing Yan , Fang Yao

Since its foundations, more than one hundred years ago, the field of structural biology has strived to understand and analyze the properties of molecules and their interactions by studying the structure that they take in 3D space. However,…

Biomolecules · Quantitative Biology 2023-02-27 Gabriele Corso

Multimodal learning is a framework for building models that make predictions based on different types of modalities. Important challenges in multimodal learning are the inference of shared representations from arbitrary modalities and…

Machine Learning · Computer Science 2022-07-06 Masahiro Suzuki , Yutaka Matsuo