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Effective training of deep neural networks suffers from two main issues. The first is that the parameter spaces of these models exhibit pathological curvature. Recent methods address this problem by using adaptive preconditioning for…

Machine Learning · Statistics 2015-12-25 Chunyuan Li , Changyou Chen , David Carlson , Lawrence Carin

Deep learning affords enormous opportunities to augment the armamentarium of biomedical imaging, albeit its design and implementation have potential flaws. Fundamentally, most deep learning models are driven entirely by data without…

Computer Vision and Pattern Recognition · Computer Science 2021-05-26 Liyue Shen , Wei Zhao , Dante Capaldi , John Pauly , Lei Xing

The interpretation of deep learning as a dynamical system has gained a considerable attention in recent years as it provides a promising framework. It allows for the use of existing ideas from established fields of mathematics for studying…

Optimization and Control · Mathematics 2021-06-09 Nader Ganaba

The recent surge in Deep Learning (DL) research of the past decade has successfully provided solutions to many difficult problems. The field of quantitative analysis has been slowly adapting the new methods to its problems, but due to…

We propose a class of trainable deep learning-based geometries called Neural Spacetimes (NSTs), which can universally represent nodes in weighted directed acyclic graphs (DAGs) as events in a spacetime manifold. While most works in the…

Machine Learning · Computer Science 2025-03-11 Haitz Sáez de Ocáriz Borde , Anastasis Kratsios , Marc T. Law , Xiaowen Dong , Michael Bronstein

Topological deep learning (TDL) is a rapidly evolving field that uses topological features to understand and design deep learning models. This paper posits that TDL is the new frontier for relational learning. TDL may complement graph…

Urban planning designs land-use configurations and can benefit building livable, sustainable, safe communities. Inspired by image generation, deep urban planning aims to leverage deep learning to generate land-use configurations. However,…

Computer Vision and Pattern Recognition · Computer Science 2021-10-18 Dongjie Wang , Kunpeng Liu , Pauline Johnson , Leilei Sun , Bowen Du , Yanjie Fu

Structure-based drug design (SBDD) leverages the three-dimensional geometry of proteins to identify potential drug candidates. Traditional approaches, rooted in physicochemical modeling and domain expertise, are often resource-intensive.…

Quantitative Methods · Quantitative Biology 2024-11-19 Zaixi Zhang , Jiaxian Yan , Yining Huang , Qi Liu , Enhong Chen , Mengdi Wang , Marinka Zitnik

A central problem in computational biophysics is protein structure prediction, i.e., finding the optimal folding of a given amino acid sequence. This problem has been studied in a classical abstract model, the HP model, where the protein is…

Machine Learning · Computer Science 2023-03-14 Kaiyuan Yang , Houjing Huang , Olafs Vandans , Adithya Murali , Fujia Tian , Roland H. C. Yap , Liang Dai

Causal representation learning seeks to uncover causal relationships among high-level latent variables from low-level, entangled, and noisy observations. Existing approaches often either rely on deep neural networks, which lack…

Methodology · Statistics 2026-03-27 Wenjin Zhang , Yixin Wang , Yuqi Gu

Geometric quantiles are popular location functionals to build rank-based statistical procedures in multivariate settings. They are obtained through the minimization of a non-smooth convex objective function. As a result, the singularity of…

Statistics Theory · Mathematics 2026-02-11 Dimitri Konen , Gilles Stupfler

Recent progress in geometric deep learning has drawn increasing attention from the machine learning community toward domain adaptation on symmetric positive definite (SPD) manifolds, especially for neuroimaging data that often suffer from…

Machine Learning · Computer Science 2025-05-09 Ce Ju , Cuntai Guan

Real-world problems, for example in climate applications, often require causal reasoning on spatially gridded time series data or data with comparable structure. While the underlying system is often believed to behave similarly at different…

Machine Learning · Computer Science 2026-02-16 Martin Rabel , Jakob Runge

A generative design based on topology optimization provides diverse alternatives as entities in a computational model with a high design degree. However, as the diversity of the generated alternatives increases, the cognitive burden on…

Machine Learning · Computer Science 2026-03-03 Ryo Tsumoto , Kentaro Yaji , Yutaka Nomaguchi , Kikuo Fujita

In recent years, machine learning (ML) methods have become increasingly popular in wireless communication systems for several applications. A critical bottleneck for designing ML systems for wireless communications is the availability of…

Signal Processing · Electrical Eng. & Systems 2025-06-03 Satyavrat Wagle , Akshay Malhotra , Shahab Hamidi-Rad , Aditya Sant , David J. Love , Christopher G. Brinton

A fundamental challenge in diagnostic imaging is the phenomenon of topological equivalence, where benign and malignant structures share global topology but differ in critical geometric detail, leading to diagnostic errors in both…

Computer Vision and Pattern Recognition · Computer Science 2026-03-05 Mariem Abaach , Ian Morilla

Deep learning (DL) models have achieved paradigm-changing performance in many fields with high dimensional data, such as images, audio, and text. However, the black-box nature of deep neural networks is a barrier not just to adoption in…

Machine Learning · Computer Science 2020-02-25 Parmita Mehta , Stephen Portillo , Magdalena Balazinska , Andrew Connolly

While deep learning (DL)-based methods have achieved remarkable success in continuous wireless resource allocation, efficient solutions for problems involving discrete variables remain challenging. This is primarily due to the zero-gradient…

Machine Learning · Computer Science 2026-03-23 Yikun Wang , Yang Li , Yik-Chung Wu , Rui Zhang

Although deep learning-based methods have shown great success in spatiotemporal predictive learning, the framework of those models is designed mainly by intuition. How to make spatiotemporal forecasting with theoretical guarantees is still…

Machine Learning · Computer Science 2024-02-26 Tongyi Liang , Han-Xiong Li

The knowledge that data lies close to a particular submanifold of the ambient Euclidean space may be useful in a number of ways. For instance, one may want to automatically mark any point far away from the submanifold as an outlier or to…