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Scientific machine learning (SciML) models are transforming many scientific disciplines. However, the development of good modeling practices to increase the trustworthiness of SciML has lagged behind its application, limiting its potential…

Machine Learning · Computer Science 2025-04-29 John D. Jakeman , Lorena A. Barba , Joaquim R. R. A. Martins , Thomas O'Leary-Roseberry

Predictive models trained on imbalanced data tend to produce biased results. This problem is exacerbated when there is not just one output label, but a set of them. This is the case for multilabel learning (MLL) algorithms used to classify…

Machine Learning · Computer Science 2025-01-22 Francisco Charte , Miguel Ángel Dávila , María Dolores Pérez-Godoy , María José del Jesus

Clustering algorithms partition a dataset into groups of similar points. The clustering problem is very general, and different partitions of the same dataset could be considered correct and useful. To fully understand such data, it must be…

Machine Learning · Computer Science 2021-02-02 James M. Murphy , Sam L. Polk

Diffusion Models (DMs), also referred to as score-based diffusion models, utilize neural networks to specify score functions. Unlike most other probabilistic models, DMs directly model the score functions, which makes them more flexible to…

Machine Learning · Computer Science 2023-04-11 Weijian Luo

The vast majority of the neural network literature focuses on predicting point values for a given set of response variables, conditioned on a feature vector. In many cases we need to model the full joint conditional distribution over the…

Machine Learning · Statistics 2016-06-09 Wesley Tansey , Karl Pichotta , James G. Scott

Masked diffusion models (MDM) are powerful generative models for discrete data that generate samples by progressively unmasking tokens in a sequence. Each token can take one of two states: masked or unmasked. We observe that token sequences…

Machine Learning · Computer Science 2025-10-23 Chen-Hao Chao , Wei-Fang Sun , Hanwen Liang , Chun-Yi Lee , Rahul G. Krishnan

The field of Multimodal Sentiment Analysis (MSA) has recently witnessed an emerging direction seeking to tackle the issue of data incompleteness. Recognizing that the language modality typically contains dense sentiment information, we…

Computation and Language · Computer Science 2024-11-04 Haoyu Zhang , Wenbin Wang , Tianshu Yu

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

We propose and show the efficacy of a new method to address generic inverse problems. Inverse modeling is the task whereby one seeks to determine the control parameters of a natural system that produce a given set of observed measurements.…

Machine Learning · Computer Science 2023-08-15 Gregory P. Spell , Simiao Ren , Leslie M. Collins , Jordan M. Malof

We consider the problem of distributionally robust multimodal machine learning. Existing approaches often rely on merging modalities on the feature level (early fusion) or heuristic uncertainty modeling, which downplays modality-aware…

Machine Learning · Computer Science 2025-11-11 Peilin Yang , Yu Ma

Accurate estimation of intravoxel incoherent motion (IVIM) parameters from diffusion-weighted MRI remains challenging due to the ill-posed nature of the inverse problem and high sensitivity to noise, particularly in the perfusion…

While machine learning (ML) has found multiple applications in photonics, traditional "black box" ML models typically require prohibitively large training data sets. Generation of such data, as well as the training processes themselves,…

Training large-scale distributed machine learning models imposes considerable demands on network infrastructure, often resulting in sudden traffic spikes that lead to congestion, increased latency, and reduced throughput, which would…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-23 Yisu Wang , Xinjiao Li , Ruilong Wu , Huangxun Chen , Dirk Kutscher

Inverse medium scattering is an ill-posed, nonlinear wave-based imaging problem arising in medical imaging, remote sensing, and non-destructive testing. Machine learning (ML) methods offer increased inference speed and flexibility in…

Computational Physics · Physics 2025-12-12 Olivia Tsang , Owen Melia , Vasileios Charisopoulos , Jeremy Hoskins , Yuehaw Khoo , Rebecca Willett

Discrete diffusion models (DDMs) are a powerful class of generative models for categorical data, but they typically require many function evaluations for a single sample, making inference expensive. Existing acceleration methods either rely…

Machine Learning · Computer Science 2025-12-16 Yansong Gao , Yu Sun

Conservation science depends on an accurate understanding of what's happening in a given ecosystem. How many species live there? What is the makeup of the population? How is that changing over time? Species Distribution Modeling (SDM) seeks…

Machine Learning · Computer Science 2021-07-23 Sara Beery , Elijah Cole , Joseph Parker , Pietro Perona , Kevin Winner

Scientific Machine Learning (SciML) faces unique challenges for extreme-resolution data, with mitigations that often fail to scale or degrade the accuracy of trained models. While some specialized methods have achieved remarkable results in…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-13 Corey Adams , Peter Harrington , Akshay Subramaniam , Mohammad Shoaib Abbas , Jaideep Pathak , Mike Pritchard , Sanjay Choudhry

The Deep Material Network (DMN) has emerged as a powerful framework for multiscale materials modeling, enabling efficient and accurate prediction of material behavior across different length scales. Unlike conventional data-driven…

Computational Engineering, Finance, and Science · Computer Science 2026-03-23 Ting-Ju Wei , Wen-Ning Wan , Chuin-Shan Chen

Many vision-related tasks benefit from reasoning over multiple modalities to leverage complementary views of data in an attempt to learn robust embedding spaces. Most deep learning-based methods rely on a late fusion technique whereby…

Computer Vision and Pattern Recognition · Computer Science 2020-03-04 Austin Reiter , Menglin Jia , Pu Yang , Ser-Nam Lim

To learn about real world phenomena, scientists have traditionally used models with clearly interpretable elements. However, modern machine learning (ML) models, while powerful predictors, lack this direct elementwise interpretability (e.g.…

Machine Learning · Statistics 2024-07-16 Timo Freiesleben , Gunnar König , Christoph Molnar , Alvaro Tejero-Cantero
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