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We introduce multi-frequency vector diffusion maps (MFVDM), a new framework for organizing and analyzing high dimensional datasets. The new method is a mathematical and algorithmic generalization of vector diffusion maps (VDM) and other…

Machine Learning · Computer Science 2019-06-07 Yifeng Fan , Zhizhen Zhao

Embedding models have shown great power in knowledge graph completion (KGC) task. By learning structural constraints for each training triple, these methods implicitly memorize intrinsic relation rules to infer missing links. However, this…

Computation and Language · Computer Science 2023-05-24 Rui Li , Xu Chen , Chaozhuo Li , Yanming Shen , Jianan Zhao , Yujing Wang , Weihao Han , Hao Sun , Weiwei Deng , Qi Zhang , Xing Xie

Recently, a new distance has been introduced for the graphs of two point-to-set operators, one of which is maximally monotone. When both operators are the subdifferential of a proper lower semicontinuous convex function, this distance…

Functional Analysis · Mathematics 2020-09-29 Regina S. Burachik , Minh N. Dao , Scott B. Lindstrom

Distance metrics and their nonlinear variant play a crucial role in machine learning based real-world problem solving. We demonstrated how Euclidean and cosine distance measures differ not only theoretically but also in real-world medical…

Machine Learning · Computer Science 2021-02-25 Der-Chen Chang , Ophir Frieder , Chi-Feng Hung , Hao-Ren Yao

Deep-learning density functional theory (DFT) shows great promise to significantly accelerate material discovery and potentially revolutionize materials research. However, current research in this field primarily relies on data-driven…

Computational Physics · Physics 2024-08-14 Yang Li , Zechen Tang , Zezhou Chen , Minghui Sun , Boheng Zhao , He Li , Honggeng Tao , Zilong Yuan , Wenhui Duan , Yong Xu

Detecting visual relationships, i.e. <Subject, Predicate, Object> triplets, is a challenging Scene Understanding task approached in the past via linguistic priors or spatial information in a single feature branch. We introduce a new deeply…

Computer Vision and Pattern Recognition · Computer Science 2019-02-18 Nikolaos Gkanatsios , Vassilis Pitsikalis , Petros Koutras , Athanasia Zlatintsi , Petros Maragos

Variational Bayesian inference is an important machine-learning tool that finds application from statistics to robotics. The goal is to find an approximate probability density function (PDF) from a chosen family that is in some sense…

Machine Learning · Computer Science 2022-09-27 Timothy D. Barfoot , Gabriele M. T. D'Eleuterio

We propose a novel technique for training deep networks with the objective of obtaining feature representations that exist in a Euclidean space and exhibit strong clustering behavior. Our desired features representations have three traits:…

Computer Vision and Pattern Recognition · Computer Science 2018-06-21 Breton Minnehan , Andreas Savakis

Context: Software vulnerabilities pose a significant threat to modern software systems, as evidenced by the growing number of reported vulnerabilities and cyberattacks. These escalating trends underscore the urgent need for effective…

Software Engineering · Computer Science 2025-07-01 Siyu Chen , Jiongyi Yang , Xiang Chen , Menglin Zheng , Minnan Wei , Xiaolin Ju

Due to exponential growth of complex data, graph structure has become increasingly important to model various entities and their interactions, with many interesting applications including, bioinformatics, social network analysis, etc.…

Social and Information Networks · Computer Science 2018-01-23 Muhammad Abulaish , Jahiruddin

We propose a novel Bregman descent algorithm for minimizing a convex function that is expressed as the sum of a differentiable part (defined over an open set) and a possibly nonsmooth term. The approach, referred to as the Variable Bregman…

Machine Learning · Computer Science 2025-02-06 Ségolène Martin , Jean-Christophe Pesquet , Gabriele Steidl , Ismail Ben Ayed

Finding the point in an algebraic variety that is closest to a given point is an optimization problem with many applications. We study the case when the variety is a Fermat hypersurface. Our formula for its Euclidean distance degree is a…

Algebraic Geometry · Mathematics 2015-10-22 Hwangrae Lee

Foundation models pre-trained on massive datasets, including large language models (LLMs), vision-language models (VLMs), and large multimodal models, have demonstrated remarkable success in diverse downstream tasks. However, recent studies…

Machine Learning · Computer Science 2025-07-25 Neil He , Hiren Madhu , Ngoc Bui , Menglin Yang , Rex Ying

This paper proposes a novel general framework of Riemannian conjugate gradient methods, that is, conjugate gradient methods on Riemannian manifolds. The conjugate gradient methods are important first-order optimization algorithms both in…

Optimization and Control · Mathematics 2022-11-21 Hiroyuki Sato

For pattern recognition like image recognition, it has become clear that each machine-learning dictionary data actually became data in probability space belonging to Euclidean space. However, the distances in the Euclidean space and the…

Artificial Intelligence · Computer Science 2018-01-09 Zecang Gu , Ling Dong

We propose a novel particle-based variational inference method designed to work with multimodal distributions. Our approach, referred to as Branched Stein Variational Gradient Descent (BSVGD), extends the classical Stein Variational…

Machine Learning · Computer Science 2025-07-18 Isaías Bañales , Arturo Jaramillo , Joshué Helí Ricalde-Guerrero

We introduce a decomposition method for the distributed calculation of exact Euclidean Minimum Spanning Trees in high dimensions (where sub-quadratic algorithms are not effective), or more generalized geometric-minimum spanning trees of…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-06-05 Richard Lettich

Finding meaningful distances between high-dimensional data samples is an important scientific task. To this end, we propose a new tree-Wasserstein distance (TWD) for high-dimensional data with two key aspects. First, our TWD is specifically…

Machine Learning · Computer Science 2025-02-25 Ya-Wei Eileen Lin , Ronald R. Coifman , Gal Mishne , Ronen Talmon

In the Metric Dimension problem, one asks for a minimum-size set $R$ of vertices such that for any pair of vertices of the graph, there is a vertex from $R$ whose two distances to the vertices of the pair are distinct. This problem has…

Combinatorics · Mathematics 2026-04-17 Antoine Dailly , Florent Foucaud , Anni Hakanen

Generating point clouds, e.g., molecular structures, in arbitrary rotations, translations, and enumerations remains a challenging task. Meanwhile, neural networks utilizing symmetry invariant layers have been shown to be able to optimize…

Machine Learning · Computer Science 2019-11-18 Moritz Hoffmann , Frank Noé