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Graph neural networks (GNNs) have emerged as a popular strategy for handling non-Euclidean data due to their state-of-the-art performance. However, most of the current GNN model designs mainly focus on task accuracy, lacking in considering…

Machine Learning · Computer Science 2023-04-14 Ao Zhou , Jianlei Yang , Yingjie Qi , Yumeng Shi , Tong Qiao , Weisheng Zhao , Chunming Hu

Predicting the elevations of nonlinear wave fields behind floating breakwaters (FBs) is crucial for optimizing coastal engineering structures, enhancing safety, and improving design efficiency. Existing deep learning approaches exhibit…

Machine Learning · Computer Science 2025-09-03 Jianxin Zhang , Lianzi Jiang , Xinyu Han , Xiangrong Wang

The accurate prediction of changes in protein stability under multiple amino acid substitutions is essential for realising true in-silico protein re-design. To this purpose, we propose improvements to state-of-the-art Deep learning (DL)…

Biomolecules · Quantitative Biology 2023-06-01 Sebastien Boyer , Sam Money-Kyrle , Oliver Bent

Recent advances in Graph Neural Networks (GNNs) have explored the potential of random noise as an input feature to enhance expressivity across diverse tasks. However, naively incorporating noise can degrade performance, while architectures…

Machine Learning · Computer Science 2025-02-05 Xiyuan Wang , Muhan Zhang

Deploying large-scale transformer models on edge devices presents significant challenges due to strict constraints on memory, compute, and latency. In this work, we propose a lightweight yet effective multi-stage optimization pipeline…

Machine Learning · Computer Science 2025-12-24 Shoaib Mohammad , Guanqun Song , Ting Zhu

This paper presents an adaptive convolutional neural network (CNN) architecture that can automate diverse topology optimization (TO) problems having different underlying physics. The architecture uses the encoder-decoder networks with dense…

Computational Engineering, Finance, and Science · Computer Science 2025-09-10 Khaish Singh Chadha , Prabhat Kumar

Neural combinatorial optimization (NCO) solvers, implemented with graph neural networks (GNNs), have introduced new approaches for solving routing problems. Trained with reinforcement learning (RL), the state-of-the-art graph attention…

Machine Learning · Computer Science 2026-01-30 Licheng Wang , Yuzi Yan , Mingtao Huang , Yuan Shen

The quadratic complexity of standard attention mechanisms poses a significant scalability bottleneck for large language models (LLMs) in long-context scenarios. While hybrid attention strategies that combine sparse and full attention within…

Computation and Language · Computer Science 2026-01-29 Zecheng Tang , Quantong Qiu , Yi Yang , Zhiyi Hong , Haiya Xiang , Kebin Liu , Qingqing Dang , Juntao Li , Min Zhang

Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

Machine Learning · Computer Science 2020-10-08 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna

Learning representations on large-sized graphs is a long-standing challenge due to the inter-dependence nature involved in massive data points. Transformers, as an emerging class of foundation encoders for graph-structured data, have shown…

Machine Learning · Computer Science 2024-08-19 Qitian Wu , Wentao Zhao , Chenxiao Yang , Hengrui Zhang , Fan Nie , Haitian Jiang , Yatao Bian , Junchi Yan

The advent of Transformers marked a significant breakthrough in sequence modelling, providing a highly performant architecture capable of leveraging GPU parallelism. However, Transformers are computationally expensive at inference time,…

Machine Learning · Computer Science 2024-05-29 Leo Feng , Frederick Tung , Hossein Hajimirsadeghi , Mohamed Osama Ahmed , Yoshua Bengio , Greg Mori

A vast majority of spiking neural networks (SNNs) are trained based on inductive biases that are not necessarily a good fit for several critical tasks that require low-latency and power efficiency. Inferring brain behavior based on the…

Neural and Evolutionary Computing · Computer Science 2023-04-20 Xi Chen , Siwei Mai , Konstantinos Michmizos

We introduce the Graded Transformer framework, a new class of sequence models that embeds algebraic inductive biases through grading transformations on vector spaces. Extending Graded Neural Networks (GNNs), we propose two architectures:…

Machine Learning · Computer Science 2025-09-03 Tony Shaska

Auditory attention detection (AAD) aims to decode listeners' focus in complex auditory environments from electroencephalography (EEG) recordings, which is crucial for developing neuro-steered hearing devices. Despite recent advancements,…

Machine Learning · Computer Science 2025-11-12 Jiaqi Wang , Zhengyu Ma , Xiongri Shen , Chenlin Zhou , Leilei Zhao , Han Zhang , Yi Zhong , Siqi Cai , Zhenxi Song , Zhiguo Zhang

Recurrent spiking neural networks (RSNNs) hold great potential for advancing artificial general intelligence, as they draw inspiration from the biological nervous system and show promise in modeling complex dynamics. However, the…

Neural and Evolutionary Computing · Computer Science 2023-05-30 Guan Wang , Yuhao Sun , Sijie Cheng , Sen Song

Graph neural networks (GNNs) emerge as a powerful approach to process non-euclidean data structures and have been proved powerful in various application domains such as social networks and e-commerce. While such graph data maintained in…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-04-06 Shengwen Liang , Ying Wang , Cheng Liu , Lei He , Huawei Li , Xiaowei Li

This paper introduces a generative model equivariant to Euclidean symmetries: E(n) Equivariant Normalizing Flows (E-NFs). To construct E-NFs, we take the discriminative E(n) graph neural networks and integrate them as a differential…

Machine Learning · Computer Science 2022-01-17 Victor Garcia Satorras , Emiel Hoogeboom , Fabian B. Fuchs , Ingmar Posner , Max Welling

The use of Attention Layers has become a trend since the popularization of the Transformer-based models, being the key element for many state-of-the-art models that have been developed through recent years. However, one of the biggest…

Machine Learning · Computer Science 2023-02-14 Giovanni Araujo Bacochina , Rodrigo Clemente Thom de Souza

Text generating capabilities have undergone a substantial transformation with the introduction of large language models (LLMs). Electroencephalography (EEG)-based text production is still difficult, though, because it requires a lot of data…

Human-Computer Interaction · Computer Science 2025-11-18 Khushiyant

Machine learning is evolving towards high-order models that necessitate pre-training on extensive datasets, a process associated with significant overheads. Traditional models, despite having pre-trained weights, are becoming obsolete due…

Machine Learning · Computer Science 2024-05-10 Chenhui Xu , Xinyao Wang , Fuxun Yu , Jinjun Xiong , Xiang Chen