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We introduce the Hierarchically Interacting Particle Neural Network (HIP-NN) to model molecular properties from datasets of quantum calculations. Inspired by a many-body expansion, HIP-NN decomposes properties, such as energy, as a sum over…

Machine Learning · Statistics 2018-04-04 Nicholas Lubbers , Justin S. Smith , Kipton Barros

Characterizing the distribution of high-dimensional statistical estimators is a challenging task, due to the breakdown of classical asymptotic theory in high dimension. This paper makes progress towards this by developing non-asymptotic…

Statistics Theory · Mathematics 2024-01-09 Gen Li , Yuting Wei

Interpreting complex neural networks is crucial for understanding their decision-making processes, particularly in applications where transparency and accountability are essential. This proposed method addresses this need by focusing on…

Neural and Evolutionary Computing · Computer Science 2024-12-10 Deepshikha Bhati , Fnu Neha , Md Amiruzzaman , Angela Guercio , Deepak Kumar Shukla , Ben Ward

Graph Neural Networks (GNNs) have achieved remarkable success in various graph mining tasks by aggregating information from neighborhoods for representation learning. The success relies on the homophily assumption that nearby nodes exhibit…

Machine Learning · Computer Science 2024-06-03 Zhuonan Zheng , Sheng Zhou , Hongjia Xu , Ming Gu , Yilun Xu , Ao Li , Yuhong Li , Jingjun Gu , Jiajun Bu

We study the problem of topic modeling in corpora whose documents are organized in a multi-level hierarchy. We explore a parametric approach to this problem, assuming that the number of topics is known or can be estimated by…

Machine Learning · Statistics 2015-04-14 Do-kyum Kim , Geoffrey M. Voelker , Lawrence K. Saul

Feature selection methods are widely used in order to solve the 'curse of dimensionality' problem. Many proposed feature selection frameworks, treat all data points equally; neglecting their different representation power and importance. In…

Machine Learning · Computer Science 2018-10-04 Ammar Gilani , Maryam Amirmazlaghani

Variational message passing (VMP), belief propagation (BP) and expectation propagation (EP) have found their wide applications in complex statistical signal processing problems. In addition to viewing them as a class of algorithms operating…

Information Theory · Computer Science 2021-01-20 Dan Zhang , Xiaohang Song , Wenjin Wang , Gerhard Fettweis , Xiqi Gao

This paper proposes a robust classification model, based on support vector machine (SVM), which simultaneously deals with outliers detection and feature selection. The classifier is built considering the ramp loss margin error and it…

Optimization and Control · Mathematics 2024-03-13 Marta Baldomero-Naranjo , Luisa I. Martínez-Merino , Antonio M. Rodríguez-Chía

Conformal prediction has emerged as a powerful tool for building prediction intervals that are valid in a distribution-free way. However, its evaluation may be computationally costly, especially in the high-dimensional setting where the…

Machine Learning · Statistics 2025-11-13 Lucas Clarté , Lenka Zdeborová

There has been increased interest in using prior information in statistical analyses. For example, in rare diseases, it can be difficult to establish treatment efficacy based solely on data from a prospective study due to low sample sizes.…

Methodology · Statistics 2021-07-26 Ethan M. Alt , Matthew A. Psioda , Joseph G. Ibrahim

Transfer learning has become an essential technique for utilizing information from source datasets to improve the performance of the target task. However, in the context of high-dimensional data, heterogeneity arises due to heteroscedastic…

Methodology · Statistics 2024-06-26 Xiaohui Yuan , Shujie Ren

Feature selection eliminates redundancy among features to improve downstream task performance while reducing computational overhead. Existing methods often struggle to capture intricate feature interactions and adapt across diverse…

Machine Learning · Computer Science 2026-03-02 Rui Liu , Tao Zhe , Yanjie Fu , Feng Xia , Ted Senator , Dongjie Wang

Graph representation learning based on graph neural networks (GNNs) can greatly improve the performance of downstream tasks, such as node and graph classification. However, the general GNN models do not aggregate node information in a…

Machine Learning · Computer Science 2020-07-30 Fei Ding , Xiaohong Zhang , Justin Sybrandt , Ilya Safro

The design of message passing (MP) algorithms on factor graphs is an effective manner to implement channel estimation (CE) in wireless communication systems, which performance can be further improved by exploiting prior probability models…

Information Theory · Computer Science 2023-03-21 Yi Song , Chuanzong Zhang , Xinhua Lu , Fabio Saggese , Zhongyong Wang

Large language models (LLMs) exhibit exceptional performance across various domains, yet they face critical safety concerns. Model editing has emerged as an effective approach to mitigate these issues. Existing model editing methods often…

Computation and Language · Computer Science 2026-01-19 Xiaojie Gu , Guangxu Chen , Yuheng Yang , Jingxin Han , Andi Zhang

This paper proposes two distinct contributions to econometric analysis of large information sets and structural instabilities. First, it treats a regression model with time-varying coefficients, stochastic volatility and exogenous…

Methodology · Statistics 2020-04-27 Dimitris Korobilis

Hierarchical models are utilized in a wide variety of problems which are characterized by task hierarchies, where predictions on smaller subtasks are useful for trying to predict a final task. Typically, neural networks are first trained…

Deep recommender systems (DRS) often face challenges in balancing computational efficiency and model accuracy, especially when handling high-dimensional input features. Existing methods either focus on improving accuracy while neglecting…

Information Retrieval · Computer Science 2026-05-08 Nghia Bui , Yue Ning , Lijing Wang

Abstraction is essential for reducing the complexity of systems across diverse fields, yet designing effective abstraction methodology for probabilistic models is inherently challenging due to stochastic behaviors and uncertainties. Current…

Artificial Intelligence · Computer Science 2025-03-03 Nijesh Upreti , Vaishak Belle

Multitarget tracking in the interference environments suffers from the nonuniform, unknown and time-varying clutter, resulting in dramatic performance deterioration. We address this challenge by proposing a robust multitarget tracking…

Systems and Control · Electrical Eng. & Systems 2022-12-15 Xianglong Bai , Hua Lan , Zengfu Wang , Quan Pan , Yuhang Hao , Can Li
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