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Graph neural networks (GNNs) are designed to extract latent patterns from graph-structured data, making them particularly well suited for crystal representation learning. Here, we propose a GNN model tailored for estimating electronic…

Materials Science · Physics 2026-04-07 Yuxuan Zeng , Wei Cao , Yijing Zuo , Fang Lyu , Wenhao Xie , Tan Peng , Yue Hou , Ling Miao , Ziyu Wang , Jing Shi

Graph Neural Networks (GNNs) have become a standard approach for learning from graph-structured data. However, their reliance on parametric classifiers (most often linear softmax layers) limits interpretability and sometimes hinders…

Machine Learning · Computer Science 2026-02-03 Zeljko Bolevic , Milos Brajovic , Isidora Stankovic , Ljubisa Stankovic

Knowledge distillation has made remarkable achievements in model compression. However, most existing methods require the original training data, which is usually unavailable due to privacy and security issues. In this paper, we propose a…

Computer Vision and Pattern Recognition · Computer Science 2022-08-15 Xinyi Yu , Ling Yan , Yang Yang , Libo Zhou , Linlin Ou

Recent studies attempted to utilize multilayer perceptrons (MLPs) to solve semisupervised node classification on graphs, by training a student MLP by knowledge distillation from a teacher graph neural network (GNN). While previous studies…

Machine Learning · Computer Science 2023-11-30 Yong-Min Shin , Won-Yong Shin

Knowledge distillation is the technique of compressing a larger neural network, known as the teacher, into a smaller neural network, known as the student, while still trying to maintain the performance of the larger neural network as much…

Machine Learning · Computer Science 2023-05-11 Tianxun Zhou , Keng-Hwee Chiam

Knowledge distillation constitutes a potent methodology for condensing substantial neural networks into more compact and efficient counterparts. Within this context, softmax regression representation learning serves as a widely embraced…

Machine Learning · Computer Science 2024-02-12 Huayu Li , Xiwen Chen , Gregory Ditzler , Janet Roveda , Ao Li

Hypergraphs, with their capacity to depict high-order relationships, have emerged as a significant extension of traditional graphs. Although Graph Neural Networks (GNNs) have remarkable performance in graph representation learning, their…

Machine Learning · Computer Science 2024-11-07 Khaled Mohammed Saifuddin , Mehmet Emin Aktas , Esra Akbas

While kernel methods and Graph Neural Networks offer complementary strengths, integrating the two has posed challenges in efficiency and scalability. The Graph Neural Tangent Kernel provides a theoretical bridge by interpreting GNNs through…

Machine Learning · Computer Science 2025-07-17 Lin Wang , Shijie Wang , Sirui Huang , Qing Li

Model compression is an essential technique for deploying deep neural networks (DNNs) on power and memory-constrained resources. However, existing model-compression methods often rely on human expertise and focus on parameters' local…

Computer Vision and Pattern Recognition · Computer Science 2022-07-04 Sixing Yu , Arya Mazaheri , Ali Jannesari

Graph Neural Networks (GNNs) have demonstrated remarkable results in various real-world applications, including drug discovery, object detection, social media analysis, recommender systems, and text classification. In contrast to their vast…

Machine Learning · Computer Science 2026-02-04 Nícolas Roque dos Santos , Dawon Ahn , Diego Minatel , Alneu de Andrade Lopes , Evangelos E. Papalexakis

Compressing deep neural network (DNN) models becomes a very important and necessary technique for real-world applications, such as deploying those models on mobile devices. Knowledge distillation is one of the most popular methods for model…

Machine Learning · Computer Science 2020-03-02 Makoto Takamoto , Yusuke Morishita , Hitoshi Imaoka

Ensemble models comprising of deep Convolutional Neural Networks (CNN) have shown significant improvements in model generalization but at the cost of large computation and memory requirements. In this paper, we present a framework for…

Computer Vision and Pattern Recognition · Computer Science 2020-04-03 Umar Asif , Jianbin Tang , Stefan Harrer

The performance of decoders in Quantum Error Correction (QEC) is key to realizing practical quantum computers. In recent years, Graph Neural Networks (GNNs) have emerged as a promising approach, but their training methodologies are not yet…

Quantum Physics · Physics 2025-08-07 Ryota Ikeda

Graph Neural Networks (GNNs) have shown great promise in learning node embeddings for link prediction (LP). While numerous studies aim to improve the overall LP performance of GNNs, none have explored its varying performance across…

Machine Learning · Computer Science 2023-10-10 Yu Wang , Tong Zhao , Yuying Zhao , Yunchao Liu , Xueqi Cheng , Neil Shah , Tyler Derr

Knowledge distillation (KD) is one of the prominent techniques for model compression. In this method, the knowledge of a large network (teacher) is distilled into a model (student) with usually significantly fewer parameters. KD tries to…

Machine Learning · Computer Science 2023-01-31 Aref Jafari , Mehdi Rezagholizadeh , Ali Ghodsi

We examine a Geometric Deep Learning model as a thermodynamic system treating the weights as non-quantum and non-relativistic particles. We employ the notion of temperature previously defined in [7] and study it in the various layers for…

Machine Learning · Computer Science 2023-09-06 M. Lapenna , F. Faglioni , F. Zanchetta , R. Fioresi

The knowledge of a well-trained deep neural network (a.k.a. the "teacher") is valuable for learning similar tasks. Knowledge distillation extracts knowledge from the teacher and integrates it with the target model (a.k.a. the "student"),…

Computer Vision and Pattern Recognition · Computer Science 2022-05-05 Han-Jia Ye , Su Lu , De-Chuan Zhan

Graph convolutional networks (GCNs) have recently achieved great empirical success in learning graph-structured data. To address its scalability issue due to the recursive embedding of neighboring features, graph topology sampling has been…

Machine Learning · Computer Science 2023-12-12 Hongkang Li , Meng Wang , Sijia Liu , Pin-Yu Chen , Jinjun Xiong

Despite deep neural networks have demonstrated extraordinary power in various applications, their superior performances are at expense of high storage and computational costs. Consequently, the acceleration and compression of neural…

Computer Vision and Pattern Recognition · Computer Science 2017-12-20 Zehao Huang , Naiyan Wang

Knowledge distillation aims to train a compact student network using soft supervision from a larger teacher network and hard supervision from ground truths. However, determining an optimal knowledge fusion ratio that balances these…

Machine Learning · Computer Science 2024-02-20 Chengming Hu , Haolun Wu , Xuan Li , Chen Ma , Xi Chen , Jun Yan , Boyu Wang , Xue Liu