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Although general relativity (GR) has been precisely tested at the solar system scale, precise tests at a galactic or cosmological scale are still relatively insufficient. Here, in order to test GR at the galactic scale, we use the newly…

宇宙学与河外天体物理 · 物理学 2022-03-07 Xiao-Hui Liu , Zhen-Hua Li , Jing-Zhao Qi , Xin Zhang

Spatial transcriptomics (ST) is essential for understanding diseases and developing novel treatments. It measures gene expression of each fine-grained area (i.e., different windows) in the tissue slide with low throughput. This paper…

计算机视觉与模式识别 · 计算机科学 2022-11-01 Yan Yang , Md Zakir Hossain , Eric A Stone , Shafin Rahman

The recent advancements in graph neural networks (GNNs) have led to state-of-the-art performances in various applications, including chemo-informatics, question-answering systems, and recommender systems. However, scaling up these methods…

机器学习 · 计算机科学 2022-03-30 Ryoma Sato , Makoto Yamada , Hisashi Kashima

Implicit Graph Neural Networks (GNNs) have achieved significant success in addressing graph learning problems recently. However, poorly designed implicit GNN layers may have limited adaptability to learn graph metrics, experience…

机器学习 · 计算机科学 2024-02-16 Guoji Fu , Mohammed Haroon Dupty , Yanfei Dong , Lee Wee Sun

Gaussian process ($GP$) regression is a widely used non-parametric modeling tool, but its cubic complexity in the training size limits its use on massive data sets. A practical remedy is to predict using only the nearest neighbours of each…

机器学习 · 统计学 2026-04-09 Robert Allison , Tomasz Maciazek , Anthony Stephenson

This paper proposes a robust non-linear generalized path-loss propagation model, the Extended Weighted ABG (EWABG), which efficiently allows generating a path-loss propagation model by combining several available path-loss datasets (from…

In this paper, the problem of state estimation, in the context of both filtering and smoothing, for nonlinear state-space models is considered. Due to the nonlinear nature of the models, the state estimation problem is generally intractable…

机器学习 · 统计学 2021-11-24 Jarrad Courts , Adrian Wills , Thomas B. Schön

Approximate computing offers promising energy efficiency benefits for error-tolerant applications, but discovering optimal approximations requires extensive design space exploration (DSE). Predicting the accuracy of circuits composed of…

硬件体系结构 · 计算机科学 2026-03-20 Ondrej Vlcek , Vojtech Mrazek

Graph neural networks (GNNs) have demonstrated success in modeling relational data, especially for data that exhibits homophily: when a connection between nodes tends to imply that they belong to the same class. However, while this…

机器学习 · 计算机科学 2023-06-23 Andreea Deac , Jian Tang

We study the gradient Expectation-Maximization (EM) algorithm for Gaussian Mixture Models (GMM) in the over-parameterized setting, where a general GMM with $n>1$ components learns from data that are generated by a single ground truth…

机器学习 · 计算机科学 2025-06-03 Weihang Xu , Maryam Fazel , Simon S. Du

Optical spectroscopies provide a powerful tool for harnessing light-matter interactions for unraveling complex electronic features such as the flat bands and nontrivial topologies of materials. These insights are crucial for the development…

材料科学 · 物理学 2025-12-11 Ting-Wei Hsu , Zhenyao Fang , Arun Bansil , Qimin Yan

We study the amplitude-constrained additive white Gaussian noise channel. It is well known that the capacity-achieving input distribution for this channel is discrete and supported on finitely many points. The best known bounds show that…

信息论 · 计算机科学 2026-03-26 Haiyang Wang , Luca Barletta , Alex Dytso

Generalized linear models are flexible tools for the analysis of diverse datasets, but the classical formulation requires that the parametric component is correctly specified and the data contain no atypical observations. To address these…

统计方法学 · 统计学 2023-04-21 Ioannis Kalogridis , Gerda Claeskens , Stefan Van Aelst

Gaussian Process (GP) regression is a flexible non-parametric approach to approximate complex models. In many cases, these models correspond to processes with bounded physical properties. Standard GP regression typically results in a proxy…

机器学习 · 计算机科学 2020-04-10 Andrew Pensoneault , Xiu Yang , Xueyu Zhu

Cellular coverage quality estimation has been a critical task for self-organized networks. In real-world scenarios, deep-learning-powered coverage quality estimation methods cannot scale up to large areas due to little ground truth can be…

网络与互联网体系结构 · 计算机科学 2023-04-21 Yifei Jin , Marios Daoutis , Sarunas Girdzijauskas , Aristides Gionis

Message-passing neural networks (MPNN) have shown extremely high efficiency and accuracy in predicting the physical properties of molecules and crystals, and are expected to become the next-generation material simulation tool after the…

材料科学 · 物理学 2022-01-19 Yang Zhong , Hongyu Yu , Xingao Gong , Hongjun Xiang

Efficient and effective drug-target binding affinity (DTBA) prediction is a challenging task due to the limited computational resources in practical applications and is a crucial basis for drug screening. Inspired by the good representation…

生物大分子 · 定量生物学 2022-06-15 Shuke Zhang , Yanzhao Jin , Tianmeng Liu , Qi Wang , Zhaohui Zhang , Shuliang Zhao , Bo Shan

This paper introduces a new model to learn graph neural networks equivariant to rotations, translations, reflections and permutations called E(n)-Equivariant Graph Neural Networks (EGNNs). In contrast with existing methods, our work does…

机器学习 · 计算机科学 2022-02-17 Victor Garcia Satorras , Emiel Hoogeboom , Max Welling

Graph neural networks (GNNs) have been shown to be astonishingly capable models for molecular property prediction, particularly as surrogates for expensive density functional theory calculations of relaxed energy for novel material…

机器学习 · 计算机科学 2024-08-27 Joseph Musielewicz , Janice Lan , Matt Uyttendaele , John R. Kitchin

All discretized numerical models contain modelling errors - this reality is amplified when reduced-order models are used. The ability to accurately approximate modelling errors informs statistics on model confidence and improves…

计算物理 · 物理学 2021-03-17 Danny Smyl , Tyler N. Tallman , Jonathan A. Black , Andreas Hauptmann , Dong Liu