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The optimization algorithms are crucial in training physics-informed neural networks (PINNs), as unsuitable methods may lead to poor solutions. Compared to the common gradient descent (GD) algorithm, implicit gradient descent (IGD)…

Machine Learning · Computer Science 2025-08-04 Xianliang Xu , Ting Du , Wang Kong , Bin Shan , Ye Li , Zhongyi Huang

Gaussian mixture filters for nonlinear systems usually rely on severe approximations when calculating mixtures in the prediction and filtering step. Thus, offline approximations of noise densities by Gaussian mixture densities to reduce the…

Systems and Control · Electrical Eng. & Systems 2025-06-02 Ondŕej Straka , Uwe D. Hanebeck

Learning and reasoning about 3D molecular structures with varying size is an emerging and important challenge in machine learning and especially in drug discovery. Equivariant Graph Neural Networks (GNNs) can simultaneously leverage the…

Machine Learning · Computer Science 2022-03-03 Tuan Le , Frank Noé , Djork-Arné Clevert

Clustering mixtures of Gaussian distributions is a fundamental and challenging problem that is ubiquitous in various high-dimensional data processing tasks. While state-of-the-art work on learning Gaussian mixture models has focused…

Machine Learning · Computer Science 2018-03-05 Dan Kushnir , Shirin Jalali , Iraj Saniee

High-dimensional optimization is a critical challenge for operating large-scale scientific facilities. We apply a physics-informed Gaussian process (GP) optimizer to tune a complex system by conducting efficient global search. Typical GP…

Computational Physics · Physics 2021-07-14 Adi Hanuka , X. Huang , J. Shtalenkova , D. Kennedy , A. Edelen , V. R. Lalchand , D. Ratner , J. Duris

Variational inference with Gaussian mixture models (GMMs) enables learning of highly tractable yet multi-modal approximations of intractable target distributions with up to a few hundred dimensions. The two currently most effective methods…

Machine Learning · Computer Science 2023-07-19 Oleg Arenz , Philipp Dahlinger , Zihan Ye , Michael Volpp , Gerhard Neumann

While Bayesian inference provides a principled framework for reasoning under uncertainty, its widespread adoption is limited by the intractability of exact posterior computation, necessitating the use of approximate inference. However,…

Machine Learning · Statistics 2026-05-19 George Whittle , Juliusz Ziomek , Jacob Rawling , Maike A. Osborne

Learner performance data collected by Intelligent Tutoring Systems (ITSs), such as responses to questions, is essential for modeling and predicting learners' knowledge states. However, missing responses due to skips or incomplete attempts…

We study the task of learning Generalized Linear models (GLMs) in the agnostic model under the Gaussian distribution. We give the first polynomial-time algorithm that achieves a constant-factor approximation for \textit{any} monotone…

Machine Learning · Computer Science 2025-08-05 Nikos Zarifis , Puqian Wang , Ilias Diakonikolas , Jelena Diakonikolas

Gaussian Processes (GPs), as a nonparametric learning method, offer flexible modeling capabilities and calibrated uncertainty quantification for function approximations. Additionally, GPs support online learning by efficiently incorporating…

Machine Learning · Computer Science 2025-11-18 Zewen Yang , Dongfa Zhang , Xiaobing Dai , Fengyi Yu , Chi Zhang , Bingkun Huang , Hamid Sadeghian , Sami Haddadin

Graphs are one of the most important data structures for representing pairwise relations between objects. Specifically, a graph embedded in a Euclidean space is essential to solving real problems, such as physical simulations. A crucial…

Machine Learning · Computer Science 2021-03-11 Masanobu Horie , Naoki Morita , Toshiaki Hishinuma , Yu Ihara , Naoto Mitsume

Gradient Boosting Decision Tree (GBDT) is one of the most popular machine learning models in various applications. However, in the traditional settings, all data should be simultaneously accessed in the training procedure: it does not allow…

Machine Learning · Computer Science 2025-02-04 Huawei Lin , Jun Woo Chung , Yingjie Lao , Weijie Zhao

Gaussian Processes are widely used for regression tasks. A known limitation in the application of Gaussian Processes to regression tasks is that the computation of the solution requires performing a matrix inversion. The solution also…

Machine Learning · Computer Science 2017-08-22 Sourish Das , Sasanka Roy , Rajiv Sambasivan

This paper presents a new distance metric to compare two continuous probability density functions. The main advantage of this metric is that, unlike other statistical measurements, it can provide an analytic, closed-form expression for a…

Machine Learning · Computer Science 2023-06-14 Ahmad Sajedi , Yuri A. Lawryshyn , Konstantinos N. Plataniotis

Gaussian Process (GP) models are a powerful tool in probabilistic machine learning with a solid theoretical foundation. Thanks to current advances, modeling complex data with GPs is becoming increasingly feasible, which makes them an…

Machine Learning · Computer Science 2025-03-04 Sarem Seitz

Integrated Gradients (IG) is a widely used algorithm for attributing the outputs of a deep neural network to its input features. Due to the absence of closed-form integrals for deep learning models, inaccurate Riemann Sum approximations are…

Machine Learning · Computer Science 2025-01-07 Swadesh Swain , Shree Singhi

In this paper we introduce a novel online time series forecasting model we refer to as the pM-GP filter. We show that our model is equivalent to Gaussian process regression, with the advantage that both online forecasting and online…

Machine Learning · Statistics 2015-10-13 Yves-Laurent Kom Samo , Stephen J. Roberts

The quality of graph-structured data is fundamental to the success of modern graph analysis techniques such as Graph Neural Networks (GNNs). However, real-world graph data is often suboptimal, suffering from issues such as noise and…

Machine Learning · Computer Science 2026-05-19 Shen Han , Zhiyao Zhou , Jiawei Chen , Sheng Zhou , Canghong Jin , Hai Lin , Da Zhong Li , Bingde Hu , Can Wang

Sequential learning in deep models often suffers from challenges such as catastrophic forgetting and loss of plasticity, largely due to the permutation dependence of gradient-based algorithms, where the order of training data impacts the…

Machine Learning · Computer Science 2024-10-31 Akhilan Boopathy , Aneesh Muppidi , Peggy Yang , Abhiram Iyer , William Yue , Ila Fiete

Bayesian Neural Networks (BNNs) provide a promising framework for modeling predictive uncertainty and enhancing out-of-distribution robustness (OOD) by estimating the posterior distribution of network parameters. Stochastic Gradient Markov…

Machine Learning · Computer Science 2025-03-04 Hyunsu Kim , Giung Nam , Chulhee Yun , Hongseok Yang , Juho Lee