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Artificial Neural Networks(ANN) has been phenomenally successful on various pattern recognition tasks. However, the design of neural networks rely heavily on the experience and intuitions of individual developers. In this article, the…

Machine Learning · Statistics 2017-01-19 Zhao Peng

Supervised learning on molecules has incredible potential to be useful in chemistry, drug discovery, and materials science. Luckily, several promising and closely related neural network models invariant to molecular symmetries have already…

Machine Learning · Computer Science 2017-06-14 Justin Gilmer , Samuel S. Schoenholz , Patrick F. Riley , Oriol Vinyals , George E. Dahl

Current deep neural networks (DNNs) can easily overfit to biased training data with corrupted labels or class imbalance. Sample re-weighting strategy is commonly used to alleviate this issue by designing a weighting function mapping from…

Machine Learning · Computer Science 2019-09-30 Jun Shu , Qi Xie , Lixuan Yi , Qian Zhao , Sanping Zhou , Zongben Xu , Deyu Meng

Meta-learning consists in learning learning algorithms. We use a Long Short Term Memory (LSTM) based network to learn to compute on-line updates of the parameters of another neural network. These parameters are stored in the cell state of…

Machine Learning · Computer Science 2016-10-20 Tom Bosc

Studies on artificial neural networks rarely address both vanishing gradients and overfitting issues. In this study, we follow the pupil learning procedure, which has the features of interpreting, picking, understanding, cramming, and…

Machine Learning · Computer Science 2023-08-01 Rua-Huan Tsaih , Yu-Hang Chien , Shih-Yi Chien

Hypergraphs are vital in modelling data with higher-order relations containing more than two entities, gaining prominence in machine learning and signal processing. Many hypergraph neural networks leverage message passing over hypergraph…

Machine Learning · Computer Science 2025-08-09 Bohan Tang , Siheng Chen , Xiaowen Dong

In the past two decades, machine learning potentials (MLP) have reached a level of maturity that now enables applications to large-scale atomistic simulations of a wide range of systems in chemistry, physics and materials science. Different…

Chemical Physics · Physics 2021-07-09 Emir Kocer , Tsz Wai Ko , Jörg Behler

Message passing neural networks (MPNNs) operate on graphs by exchanging information between neigbouring nodes. MPNNs have been successfully applied to various node-, edge-, and graph-level tasks in areas like molecular science, computer…

Machine Learning · Computer Science 2025-11-05 Lisi Qarkaxhija , Anatol E. Wegner , Ingo Scholtes

Graph Neural Networks (GNNs) have proven to be highly effective in various graph learning tasks. A key characteristic of GNNs is their use of a fixed number of message-passing steps for all nodes in the graph, regardless of each node's…

Machine Learning · Computer Science 2025-09-03 Yassine Abbahaddou , Fragkiskos D. Malliaros , Johannes F. Lutzeyer , Michalis Vazirgiannis

Message Passing Neural Networks (MPNNs) have emerged as the {\em de facto} standard in graph representation learning. However, when it comes to link prediction, they often struggle, surpassed by simple heuristics such as Common Neighbor…

Machine Learning · Computer Science 2024-10-15 Kaiwen Dong , Zhichun Guo , Nitesh V. Chawla

Feed-forward, fully-connected Artificial Neural Networks (ANNs) or the so-called Multi-Layer Perceptrons (MLPs) are well-known universal approximators. However, their learning performance varies significantly depending on the function or…

Computer Vision and Pattern Recognition · Computer Science 2019-10-21 Serkan Kiranyaz , Turker Ince , Alexandros Iosifidis , Moncef Gabbouj

Artificial neural networks (ANNs) are increasingly used as research models, but questions remain about their generalizability and representational invariance. Biological neural networks under social constraints evolved to enable…

Computation and Language · Computer Science 2023-05-05 Tobias J. Wieczorek , Tatjana Tchumatchenko , Carlos Wert Carvajal , Maximilian F. Eggl

Graph Neural Networks (GNNs) have become a dominant approach to learning graph representations, primarily because of their message-passing mechanisms. However, GNNs typically adopt a fixed aggregator function such as Mean, Max, or Sum…

Machine Learning · Computer Science 2025-07-29 Xuanting Xie , Bingheng Li , Erlin Pan , Zhao Kang , Wenyu Chen

In this paper we propose a new Deep Learning (DL) approach for message classification. Our method is based on the state-of-the-art Natural Language Processing (NLP) building blocks, combined with a novel technique for infusing the meta-data…

Machine Learning · Computer Science 2023-01-06 Adar Kahana , Oren Elisha

An ongoing challenge in neural information processing is: how do neurons adjust their connectivity to improve task performance over time (i.e., actualize learning)? It is widely believed that there is a consistent, synaptic-level learning…

Neural and Evolutionary Computing · Computer Science 2021-06-01 Aman Bhargava , Mohammad R. Rezaei , Milad Lankarany

We present a global algorithm for training multilayer neural networks in this Letter. The algorithm is focused on controlling the local fields of neurons induced by the input of samples by random adaptations of the synaptic weights. Unlike…

Biological Physics · Physics 2007-05-23 Hong Zhao , Tao Jin

Designing machine learning architectures for processing neural networks in their raw weight matrix form is a newly introduced research direction. Unfortunately, the unique symmetry structure of deep weight spaces makes this design very…

Machine Learning · Computer Science 2023-06-02 Aviv Navon , Aviv Shamsian , Idan Achituve , Ethan Fetaya , Gal Chechik , Haggai Maron

As function approximators, deep neural networks have served as an effective tool to represent various signal types. Recent approaches utilize multi-layer perceptrons (MLPs) to learn a nonlinear mapping from a coordinate to its corresponding…

Machine Learning · Computer Science 2025-06-12 Woojin Cho , Minju Jo , Kookjin Lee , Noseong Park

The message-passing mechanism helps Graph Neural Networks (GNNs) achieve remarkable results on various node classification tasks. Nevertheless, the recursive nodes fetching and aggregation in message-passing cause inference latency when…

Machine Learning · Computer Science 2022-10-19 Jie Chen , Shouzhen Chen , Mingyuan Bai , Junbin Gao , Junping Zhang , Jian Pu

Message-passing neural networks (MPNNs) are a powerful framework for learning representations of graph-structured domains. However, weights in MPNNs act on features only, limiting their ability to capture structural patterns. We introduce a…

Machine Learning · Computer Science 2026-05-26 Florian Seiffarth
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