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Despite the promise of scientific machine learning (SciML) in combining data-driven techniques with mechanistic modeling, existing approaches for incorporating hard constraints in neural differential equations (NDEs) face significant…

Machine Learning · Computer Science 2025-05-28 Avik Pal , Alan Edelman , Christopher Rackauckas

Efficient signal representation is essential for the functioning of living and artificial systems operating under resource constraints. A widely recognized framework for deriving such representations is the information bottleneck method,…

Molecular Networks · Quantitative Biology 2025-07-08 Vahe Galstyan , Age Tjalma , Pieter Rein ten Wolde

Graph Neural Networks (GNNs) have achieved impressive performance in graph-related tasks. However, they suffer from poor generalization on out-of-distribution (OOD) data, as they tend to learn spurious correlations. Such correlations…

Machine Learning · Statistics 2026-03-26 Bowen Lu , Liangqiang Yang , Teng Li

Many successful methods to learn dynamical systems from data have recently been introduced. However, ensuring that the inferred dynamics preserve known constraints, such as conservation laws or restrictions on the allowed system states,…

Machine Learning · Computer Science 2024-02-16 Alistair White , Niki Kilbertus , Maximilian Gelbrecht , Niklas Boers

To improve the reliability and interpretability of industrial process monitoring, this article proposes a Causal Graph Spatial-Temporal Autoencoder (CGSTAE). The network architecture of CGSTAE combines two components: a correlation graph…

Machine Learning · Computer Science 2026-05-21 Xiangrui Zhang

One of the focus areas of modern scientific research is to reveal mysteries related to genes and their interactions. The dynamic interactions between genes can be encoded into a gene regulatory network (GRN), which can be used to gain…

Optimization and Control · Mathematics 2020-07-16 Atte Aalto , Lauri Viitasaari , Pauliina Ilmonen , Laurent Mombaerts , Jorge Goncalves

Recently, DNN model compression based on network architecture design, e.g., SqueezeNet, attracted a lot attention. No accuracy drop on image classification is observed on these extremely compact networks, compared to well-known models. An…

Computer Vision and Pattern Recognition · Computer Science 2017-04-04 Chunpeng Wu , Wei Wen , Tariq Afzal , Yongmei Zhang , Yiran Chen , Hai Li

With the recent study of deep learning in scientific computation, the Physics-Informed Neural Networks (PINNs) method has drawn widespread attention for solving Partial Differential Equations (PDEs). Compared to traditional methods, PINNs…

Machine Learning · Computer Science 2024-07-08 Yuling Jiao , Di Li , Xiliang Lu , Jerry Zhijian Yang , Cheng Yuan

When engaging in end-to-end graph representation learning with Graph Neural Networks (GNNs), the intricate causal relationships and rules inherent in graph data pose a formidable challenge for the model in accurately capturing authentic…

Machine Learning · Computer Science 2024-06-14 Hang Gao , Peng Qiao , Yifan Jin , Fengge Wu , Jiangmeng Li , Changwen Zheng

We present a novel machine learning approach for data assimilation applied in fluid mechanics, based on adjoint-optimization augmented by Graph Neural Networks (GNNs) models. We consider as baseline the Reynolds-Averaged Navier-Stokes…

Causal abstraction is a promising theoretical framework for explainable artificial intelligence that defines when an interpretable high-level causal model is a faithful simplification of a low-level deep learning system. However, existing…

Artificial Intelligence · Computer Science 2024-02-23 Atticus Geiger , Zhengxuan Wu , Christopher Potts , Thomas Icard , Noah D. Goodman

In this work, a Gaussian process regression(GPR) model incorporated with given physical information in partial differential equations(PDEs) is developed: physics-assisted Gaussian processes(PAGP). The targets of this model can be divided…

Machine Learning · Statistics 2022-04-07 Jiahao Zhang , Shiqi Zhang , Guang Lin

Stochastic graph neural networks (SGNNs) are information processing architectures that learn representations from data over random graphs. SGNNs are trained with respect to the expected performance, which comes with no guarantee about…

Signal Processing · Electrical Eng. & Systems 2023-03-22 Zhan Gao , Elvin Isufi

Astronomical time series from large-scale surveys like LSST are often irregularly sampled and incomplete, posing challenges for classification and anomaly detection. We introduce a new framework based on Neural Stochastic Delay Differential…

Machine Learning · Computer Science 2026-04-03 YongKyung Oh , Seungsu Kam , Dong-Young Lim , Sungil Kim

Neural networks often make predictions relying on the spurious correlations from the datasets rather than the intrinsic properties of the task of interest, facing sharp degradation on out-of-distribution (OOD) test data. Existing de-bias…

Machine Learning · Computer Science 2023-01-20 Xinzhe Han , Shuhui Wang , Chi Su , Qingming Huang , Qi Tian

Scientific machine learning has been successfully applied to inverse problems and PDE discovery in computational physics. One caveat concerning current methods is the need for large amounts of ("clean") data, in order to characterize the…

Numerical Analysis · Mathematics 2021-11-30 Christophe Bonneville , Christopher J. Earls

Strongly nonlinear flows, which commonly arise in geophysical and engineering turbulence, are characterized by persistent and intermittent energy transfer between various spatial and temporal scales. These systems are difficult to model and…

Dynamical Systems · Mathematics 2022-01-25 Hassan Arbabi , Themistoklis Sapsis

Systems exhibiting nonlinear dynamics, including but not limited to chaos, are ubiquitous across Earth Sciences such as Meteorology, Hydrology, Climate and Ecology, as well as Biology such as neural and cardiac processes. However, System…

Machine Learning · Computer Science 2020-08-14 Nishant Yadav , Sai Ravela , Auroop R. Ganguly

Simulation-based inference provides a powerful framework for Bayesian inference when the likelihood is analytically intractable or computationally prohibitive. By leveraging machine-learning techniques and neural density estimators, it…

General Relativity and Quantum Cosmology · Physics 2026-01-21 Mattia Emma , Gregory Ashton

The clustering of bounded data presents unique challenges in statistical analysis due to the constraints imposed on the data values. This paper introduces a novel method for model-based clustering specifically designed for bounded data.…

Methodology · Statistics 2025-05-16 Luca Scrucca
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