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Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

Machine Learning · Computer Science 2019-09-17 Xiang Gao , Wei Hu , Zongming Guo

Neural network optimization remains one of the most consequential yet poorly understood challenges in modern AI research, where improvements in training algorithms can lead to enhanced feature learning in foundation models,…

Machine Learning · Computer Science 2025-12-23 Ansh Nagwekar

Generative Pre-trained Transformer (GPT) architectures are the most popular design for language modeling. Energy-based modeling is a different paradigm that views inference as a dynamical process operating on an energy landscape. We propose…

Machine Learning · Computer Science 2026-05-04 Nima Dehmamy , Benjamin Hoover , Bishwajit Saha , Leo Kozachkov , Jean-Jacques Slotine , Dmitry Krotov

Transformers have demonstrated success in graph learning, particularly for node-level tasks. However, existing methods encounter an information bottleneck when generating graph-level representations. The prevalent single token paradigm…

Machine Learning · Computer Science 2026-02-11 Ruixiang Wang , Yuyang Hong , Shiming Xiang , Chunhong Pan

The inference of gene regulatory networks (GRNs) is a foundational stride towards deciphering the fundamentals of complex biological systems. Inferring a possible regulatory link between two genes can be formulated as a link prediction…

Machine Learning · Computer Science 2025-04-25 Binon Teji , Swarup Roy

Parameter-efficient tunings (PETs) have demonstrated impressive performance and promising perspectives in training large models, while they are still confronted with a common problem: the trade-off between learning new content and…

Machine Learning · Computer Science 2024-07-18 Jingyang Qiao , Zhizhong Zhang , Xin Tan , Yanyun Qu , Wensheng Zhang , Zhi Han , Yuan Xie

Gradient Boosting Decision Tree (GBDT) are popular machine learning algorithms with implementations such as LightGBM and in popular machine learning toolkits like Scikit-Learn. Many implementations can only produce trees in an offline…

Machine Learning · Statistics 2020-02-06 Chapman Siu

Graph classification is an important learning task for graph-structured data. Graph neural networks (GNNs) have recently gained growing attention in graph learning and have shown significant improvements in many important graph problems.…

Machine Learning · Computer Science 2024-01-31 Tao Wen , Elynn Chen , Yuzhou Chen

Many real-world interactions are group-based rather than pairwise such as papers with multiple co-authors and users jointly engaging with items. Hypergraph neural networks have shown great promise at modeling higher-order relations, but…

Machine Learning · Computer Science 2025-08-14 Xiaoyu Li , Guangyu Tang , Jiaojiao Jiang

The remarkable capability of Transformers to do reasoning and few-shot learning, without any fine-tuning, is widely conjectured to stem from their ability to implicitly simulate a multi-step algorithms -- such as gradient descent -- with…

Machine Learning · Computer Science 2024-10-14 Khashayar Gatmiry , Nikunj Saunshi , Sashank J. Reddi , Stefanie Jegelka , Sanjiv Kumar

Graph transformers are the state-of-the-art for learning from graph-structured data and are empirically known to avoid several pitfalls of message-passing architectures. However, there is limited theoretical analysis on why these models…

Machine Learning · Statistics 2026-03-19 Nil Ayday , Lingchu Yang , Debarghya Ghoshdastidar

Graph neural networks (GNNs), has been widely used for supervised learning tasks in graphs reaching state-of-the-art results. However, little work was dedicated to creating unbiased GNNs, i.e., where the classification is uncorrelated with…

Machine Learning · Computer Science 2021-08-20 Uriel Singer , Kira Radinsky

Graph Drawing techniques have been developed in the last few years with the purpose of producing aesthetically pleasing node-link layouts. Recently, the employment of differentiable loss functions has paved the road to the massive usage of…

Machine Learning · Computer Science 2022-07-04 Matteo Tiezzi , Gabriele Ciravegna , Marco Gori

We introduce a transformer-based GNN model, named UGformer, to learn graph representations. In particular, we present two UGformer variants, wherein the first variant (publicized in September 2019) is to leverage the transformer on a set of…

Machine Learning · Computer Science 2022-03-09 Dai Quoc Nguyen , Tu Dinh Nguyen , Dinh Phung

Transformers have become the dominant architecture for sequence modeling tasks such as natural language processing or audio processing, and they are now even considered for tasks that are not naturally sequential such as image…

Machine Learning · Computer Science 2024-03-05 Jorg Bornschein , Yazhe Li , Amal Rannen-Triki

Driven by the outstanding performance of neural networks in the structured Euclidean domain, recent years have seen a surge of interest in developing neural networks for graphs and data supported on graphs. The graph is leveraged at each…

Machine Learning · Computer Science 2021-07-28 Elvin Isufi , Fernando Gama , Alejandro Ribeiro

Graph Neural Networks (GNNs) have been widely applied in the semi-supervised node classification task, where a key point lies in how to sufficiently leverage the limited but valuable label information. Most of the classical GNNs solely use…

Machine Learning · Computer Science 2022-12-26 Le Yu , Leilei Sun , Bowen Du , Tongyu Zhu , Weifeng Lv

We introduce Generative Neural Machine Translation (GNMT), a latent variable architecture which is designed to model the semantics of the source and target sentences. We modify an encoder-decoder translation model by adding a latent…

Computation and Language · Computer Science 2018-06-14 Harshil Shah , David Barber

Learning partial differential equations' (PDEs) solution operators is an essential problem in machine learning. However, there are several challenges for learning operators in practical applications like the irregular mesh, multiple input…

Machine Learning · Computer Science 2023-06-16 Zhongkai Hao , Zhengyi Wang , Hang Su , Chengyang Ying , Yinpeng Dong , Songming Liu , Ze Cheng , Jian Song , Jun Zhu

Generalizing a pretrained model to unseen datasets without retraining is an essential step toward a foundation model. However, achieving such cross-dataset, fully inductive inference is difficult in graph-structured data where feature…

Machine Learning · Computer Science 2025-12-15 Dooho Lee , Myeong Kong , Minho Jeong , Jaemin Yoo