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Efficient and accurate prediction of Multiphysics evolution across diverse cell geometries is fundamental to the design, management and safety of lithium-ion batteries. However, existing computational frameworks struggle to capture the…

Computational Engineering, Finance, and Science · Computer Science 2026-03-19 Zhiwei Zhao , Changqing Liu , Jie Lin , Fan Yang , Yifan Zhang , Yan Jin , Yingguang Li

The ubiquity of neural networks (NNs) in real-world applications, from healthcare to natural language processing, underscores their immense utility in capturing complex relationships within high-dimensional data. However, NNs come with…

Machine Learning · Computer Science 2024-07-08 Chang Yue , Niraj K. Jha

Graph neural networks (GNNs) have been extensively studied for prediction tasks on graphs. As pointed out by recent studies, most GNNs assume local homophily, i.e., strong similarities in local neighborhoods. This assumption however limits…

Machine Learning · Computer Science 2021-10-04 Sean Li , Dongwoo Kim , Qing Wang

Analyzing data from multiple neuroimaging studies has great potential in terms of increasing statistical power, enabling detection of effects of smaller magnitude than would be possible when analyzing each study separately and also allowing…

The emergence of explainability methods has enabled a better comprehension of how deep neural networks operate through concepts that are easily understood and implemented by the end user. While most explainability methods have been designed…

Neurons and Cognition · Quantitative Biology 2022-03-17 Fernanda L. Ribeiro , Steffen Bollmann , Ross Cunnington , Alexander M. Puckett

Decision-making in complex systems often relies on machine learning models, yet highly accurate models such as XGBoost and neural networks can obscure the reasoning behind their predictions. In operations research applications,…

Machine Learning · Computer Science 2025-02-28 Gaurav Arwade , Sigurdur Olafsson

The importance of explainability in machine learning continues to grow, as both neural-network architectures and the data they model become increasingly complex. Unique challenges arise when a model's input features become high dimensional:…

Machine Learning · Computer Science 2021-12-21 Damien de Mijolla , Christopher Frye , Markus Kunesch , John Mansir , Ilya Feige

Foundation models are deep neural networks (such as GPT-5, Gemini~3, and Opus~4) trained on large datasets that can perform diverse downstream tasks -- text and code generation, question answering, summarization, image classification, and…

Machine Learning · Computer Science 2026-05-01 Logan G Wright , Tianyu Wang , Tatsuhiro Onodera , Peter L. McMahon

Graph learning tasks often hinge on identifying key substructure patterns -- such as triadic closures in social networks or benzene rings in molecular graphs -- that underpin downstream performance. However, most existing graph neural…

Machine Learning · Computer Science 2025-05-27 Zehong Wang , Zheyuan Zhang , Tianyi Ma , Nitesh V Chawla , Chuxu Zhang , Yanfang Ye

Graph neural networks (GNNs) are a powerful tool to learn representations on graphs by iteratively aggregating features from node neighbourhoods. Many variant models have been proposed, but there is limited understanding on both how to…

Machine Learning · Computer Science 2019-11-14 Michael Lingzhi Li , Meng Dong , Jiawei Zhou , Alexander M. Rush

Surface parameterization plays an essential role in numerous computer graphics and geometry processing applications. Traditional parameterization approaches are designed for high-quality meshes laboriously created by specialized 3D…

Computer Vision and Pattern Recognition · Computer Science 2024-10-29 Qijian Zhang , Junhui Hou , Wenping Wang , Ying He

Neural Networks (NN) has been used in many areas with great success. When a NN's structure (Model) is given, during the training steps, the parameters of the model are determined using an appropriate criterion and an optimization algorithm…

Machine Learning · Computer Science 2024-08-15 Ali Mohammad-Djafari , Ning Chu , Li Wang , Caifang Cai , Liang Yu

We discuss probabilistic neural networks with a fixed internal representation as models for machine understanding. Here understanding is intended as mapping data to an already existing representation which encodes an {\em a priori}…

Disordered Systems and Neural Networks · Physics 2023-12-07 Rongrong Xie , Matteo Marsili

Multimodal models are expected to be a critical component to future advances in artificial intelligence. This field is starting to grow rapidly with a surge of new design elements motivated by the success of foundation models in natural…

Computation and Language · Computer Science 2024-06-11 Sai Munikoti , Ian Stewart , Sameera Horawalavithana , Henry Kvinge , Tegan Emerson , Sandra E Thompson , Karl Pazdernik

Large Foundation Models (LFMs) have demonstrated significant advantages in civil engineering, but they primarily focus on textual and visual data, overlooking the rich semantic, spatial, and topological features in BIM (Building Information…

Machine Learning · Computer Science 2025-09-30 Jin Han , Xin-Zheng Lu , Jia-Rui Lin

Interpretability is a critical factor in applying complex deep learning models to advance the understanding of brain disorders in neuroimaging studies. To interpret the decision process of a trained classifier, existing techniques typically…

Image and Video Processing · Electrical Eng. & Systems 2021-06-29 Zixuan Liu , Ehsan Adeli , Kilian M. Pohl , Qingyu Zhao

Graph neural networks (GNNs), as the de-facto model class for representation learning on graphs, are built upon the multi-layer perceptrons (MLP) architecture with additional message passing layers to allow features to flow across nodes.…

Machine Learning · Computer Science 2023-08-07 Chenxiao Yang , Qitian Wu , Jiahua Wang , Junchi Yan

Graph Neural Networks (GNNs) have shown great ability in modeling graph-structured data for various domains. However, GNNs are known as black-box models that lack interpretability. Without understanding their inner working, we cannot fully…

Machine Learning · Computer Science 2022-10-06 Enyan Dai , Suhang Wang

Graph neural networks (GNNs) are often trained on individual datasets, requiring specialized models and significant hyperparameter tuning due to the unique structures and features of each dataset. This approach limits the scalability and…

Machine Learning · Computer Science 2026-02-17 Divyansha Lachi , Mehdi Azabou , Vinam Arora , Eva Dyer

Graphical models capture relations between entities in a wide range of applications including social networks, biology, and natural language processing, among others. Graph neural networks (GNN) are neural models that operate over graphs,…

Machine Learning · Computer Science 2024-02-08 Xu Zheng , Farhad Shirani , Tianchun Wang , Shouwei Gao , Wenqian Dong , Wei Cheng , Dongsheng Luo