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Machine learning (ML) is rapidly transforming the way molecular dynamics simulations are performed and analyzed, from materials modeling to studies of protein folding and function. ML algorithms are often employed to learn low-dimensional…

Soft Condensed Matter · Physics 2025-09-23 Jayashrita Debnath , Gerhard Hummer

In this work, we propose a novel unsupervised deep learning model to address multi-focus image fusion problem. First, we train an encoder-decoder network in unsupervised manner to acquire deep feature of input images. And then we utilize…

Computer Vision and Pattern Recognition · Computer Science 2020-09-25 Boyuan Ma , Xiaojuan Ban , Haiyou Huang , Yu Zhu

Accelerated discovery with machine learning (ML) has begun to provide the advances in efficiency needed to overcome the combinatorial challenge of computational materials design. Nevertheless, ML-accelerated discovery both inherits the…

Materials Science · Physics 2022-05-09 Chenru Duan , Fang Liu , Aditya Nandy , Heather J. Kulik

We present the development of a new algorithm which combines state-of-the-art energy-dispersive X-ray (EDX) spectroscopy theory and a suitable machine learning formulation for the hyperspectral unmixing of scanning transmission electron…

Software fault prediction (SFP) is a critical task in software engineering, enabling early identification of faults in modules to improve software quality and reduce maintenance costs. This research investigates the combined effects of…

Software Engineering · Computer Science 2026-05-19 Ahmad Nauman Ghazi , Nagajyothi Devarapalli , Ashir Javeed , Sadi Alawadi , Fahed Alkhabbas , Khalid AlKharabsheh

Nonnegative matrix factorization is a powerful technique to realize dimension reduction and pattern recognition through single-layer data representation learning. Deep learning, however, with its carefully designed hierarchical structure,…

Computer Vision and Pattern Recognition · Computer Science 2017-07-31 Zhenxing Guo , Shihua Zhang

Deep learning-based image fusion approaches have obtained wide attention in recent years, achieving promising performance in terms of visual perception. However, the fusion module in the current deep learning-based methods suffers from two…

Computer Vision and Pattern Recognition · Computer Science 2022-02-01 Dongyu Rao , Xiao-Jun Wu , Tianyang Xu , Guoyang Chen

Many predictive tasks of web applications need to model categorical variables, such as user IDs and demographics like genders and occupations. To apply standard machine learning techniques, these categorical predictors are always converted…

Machine Learning · Computer Science 2017-08-18 Xiangnan He , Tat-Seng Chua

Traditional nonnegative matrix factorization (NMF) learns a new feature representation on the whole data space, which means treating all features equally. However, a subspace is often sufficient for accurate representation in practical…

Computer Vision and Pattern Recognition · Computer Science 2022-04-19 Junhang Li , Jiao Wei , Can Tong , Tingting Shen , Yuchen Liu , Chen Li , Shouliang Qi , Yudong Yao , Yueyang Teng

Binary data matrices can represent many types of data such as social networks, votes, or gene expression. In some cases, the analysis of binary matrices can be tackled with nonnegative matrix factorization (NMF), where the observed data…

Machine Learning · Statistics 2020-06-23 Alberto Lumbreras , Louis Filstroff , Cédric Févotte

In this article we propose a method to refine the clustering results obtained with the nonnegative matrix factorization (NMF) technique, imposing consistency constraints on the final labeling of the data. The research community focused its…

Computer Vision and Pattern Recognition · Computer Science 2016-09-16 Rocco Tripodi , Sebastiano Vascon , Marcello Pelillo

Predicting user positive response (e.g., purchases and clicks) probability is a critical task in Web applications. To identify predictive features from raw data, the state-of-the-art extreme deep factorization machine model (xDeepFM)…

Machine Learning · Computer Science 2021-12-13 Ling Chen , Hongyu Shi

We introduce NPEFF (Non-Negative Per-Example Fisher Factorization), an interpretability method that aims to uncover strategies used by a model to generate its predictions. NPEFF decomposes per-example Fisher matrices using a novel…

Machine Learning · Computer Science 2025-05-12 Michael Matena , Colin Raffel

Nonnegative Matrix Factorization (NMF) aims to factorize a matrix into two optimized nonnegative matrices and has been widely used for unsupervised learning tasks such as product recommendation based on a rating matrix. However, although…

Social and Information Networks · Computer Science 2015-04-03 Junyu Xuan , Jie Lu , Xiangfeng Luo , Guangquan Zhang

Masked diffusion models (MDMs) have achieved notable progress in modeling discrete data, while their potential in molecular generation remains underexplored. In this work, we explore their potential and introduce the surprising result that…

Machine Learning · Computer Science 2025-09-29 Hyunjin Seo , Taewon Kim , Sihyun Yu , SungSoo Ahn

Nonnegative matrix factorization (NMF) has an established reputation as a useful data analysis technique in numerous applications. However, its usage in practical situations is undergoing challenges in recent years. The fundamental factor…

Machine Learning · Computer Science 2016-05-04 Mariano Tepper , Guillermo Sapiro

Nonnegative matrix factorization (NMF) methods have proved to be powerful across a wide range of real-world clustering applications. Integrating multiple types of measurements for the same objects/subjects allows us to gain a deeper…

Machine Learning · Computer Science 2014-09-16 Daniel Hidru , Anna Goldenberg

Coupled Matrix Tensor Factorization (CMTF) facilitates the integration and analysis of multiple data sources and helps discover meaningful information. Nonnegative CMTF (N-CMTF) has been employed in many applications for identifying latent…

Machine Learning · Computer Science 2020-03-10 Thirunavukarasu Balasubramaniam , Richi Nayak , Chau Yuen

We introduce negative binomial matrix factorization (NBMF), a matrix factorization technique specially designed for analyzing over-dispersed count data. It can be viewed as an extension of Poisson matrix factorization (PF) perturbed by a…

Machine Learning · Computer Science 2018-01-08 Olivier Gouvert , Thomas Oberlin , Cédric Févotte

Fluorescence molecular tomography (FMT) is a sensitive optical imaging technology widely used in biomedical research. However, the ill-posedness of the inverse problem poses a huge challenge to FMT reconstruction. Although end-to-end deep…

Image and Video Processing · Electrical Eng. & Systems 2025-03-18 Peng Zhang , Qianqian Xue , Xingyu Liu , Guanglei Zhang , Wenjian Wang , Jiye Liang
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