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Learning a graph topology to reveal the underlying relationship between data entities plays an important role in various machine learning and data analysis tasks. Under the assumption that structured data vary smoothly over a graph, the…

Machine Learning · Statistics 2023-08-23 Xingyue Pu , Tianyue Cao , Xiaoyun Zhang , Xiaowen Dong , Siheng Chen

Simulating physics using Graph Neural Networks (GNNs) is predominantly driven by message-passing architectures, which face challenges in scaling and efficiency, particularly in handling large, complex meshes. These architectures have…

Machine Learning · Computer Science 2025-08-26 Paul Garnier , Vincent Lannelongue , Jonathan Viquerat , Elie Hachem

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

Power control for the device-to-device interference channel with single-antenna transceivers has been widely analyzed with both model-based methods and learning-based approaches. Although the learning-based approaches, i.e., datadriven and…

Signal Processing · Electrical Eng. & Systems 2023-07-25 Dohoon Kim , Shenghui Song

Transformers have theoretical limitations in modeling certain sequence-to-sequence tasks, yet it remains largely unclear if these limitations play a role in large-scale pretrained LLMs, or whether LLMs might effectively overcome these…

Machine Learning · Computer Science 2025-10-24 Mayank Jobanputra , Yana Veitsman , Yash Sarrof , Aleksandra Bakalova , Vera Demberg , Ellie Pavlick , Michael Hahn

Graph neural networks (GNNs) use graph convolutions to exploit network invariances and learn meaningful feature representations from network data. However, on large-scale graphs convolutions incur in high computational cost, leading to…

Machine Learning · Computer Science 2022-06-29 Juan Cervino , Luana Ruiz , Alejandro Ribeiro

We investigate the capabilities of transformer models on relational reasoning tasks. In these tasks, models are trained on a set of strings encoding abstract relations, and are then tested out-of-distribution on data that contains symbols…

Computation and Language · Computer Science 2024-04-17 Enric Boix-Adsera , Omid Saremi , Emmanuel Abbe , Samy Bengio , Etai Littwin , Joshua Susskind

A long-standing goal in deep learning has been to characterize the learning behavior of black-box models in a more interpretable manner. For graph neural networks (GNNs), considerable advances have been made in formalizing what functions…

Machine Learning · Computer Science 2024-06-19 Chenxiao Yang , Qitian Wu , David Wipf , Ruoyu Sun , Junchi Yan

We introduce a flexible setup allowing for a neural network to learn both its size and topology during the course of a standard gradient-based training. The resulting network has the structure of a graph tailored to the particular learning…

Machine Learning · Computer Science 2020-07-16 Romuald A. Janik , Aleksandra Nowak

Modern large language models (LLMs) excel at tasks that require storing and retrieving knowledge, such as factual recall and question answering. Transformers are central to this capability because they can encode information during training…

Machine Learning · Statistics 2026-03-18 Nuri Mert Vural , Alberto Bietti , Mahdi Soltanolkotabi , Denny Wu

In this work we introduce KERNELIZED TRANSFORMER, a generic, scalable, data driven framework for learning the kernel function in Transformers. Our framework approximates the Transformer kernel as a dot product between spectral feature maps…

Machine Learning · Computer Science 2022-07-22 Sankalan Pal Chowdhury , Adamos Solomou , Avinava Dubey , Mrinmaya Sachan

Graph Transformers (GTs) have demonstrated a strong capability in modeling graph structures by addressing the intrinsic limitations of graph neural networks (GNNs), such as over-smoothing and over-squashing. Recent studies have proposed…

Machine Learning · Computer Science 2025-02-28 Chaohao Yuan , Kangfei Zhao , Ercan Engin Kuruoglu , Liang Wang , Tingyang Xu , Wenbing Huang , Deli Zhao , Hong Cheng , Yu Rong

The transformer architecture has prevailed in various deep learning settings due to its exceptional capabilities to select and compose structural information. Motivated by these capabilities, Sanford et al. proposed the sparse token…

Machine Learning · Statistics 2024-06-12 Zixuan Wang , Stanley Wei , Daniel Hsu , Jason D. Lee

Since their introduction, Transformer architectures have dominated Natural Language Processing (NLP). However, recent research has highlighted an inherent anisotropy phenomenon in these models, presenting a significant challenge to their…

Computation and Language · Computer Science 2026-04-13 Raphael Bernas , Fanny Jourdan , Antonin Poché , Céline Hudelot

We study the capabilities of the transformer architecture with varying depth. Specifically, we designed a novel set of sequence learning tasks to systematically evaluate and comprehend how the depth of transformer affects its ability to…

Machine Learning · Computer Science 2024-04-03 Xingwu Chen , Difan Zou

Large Language Models (LLMs) have achieved great success in various reasoning tasks. In this work, we focus on the graph reasoning ability of LLMs. Although theoretical studies proved that LLMs are capable of handling graph reasoning tasks,…

Computation and Language · Computer Science 2025-01-09 Xinnan Dai , Qihao Wen , Yifei Shen , Hongzhi Wen , Dongsheng Li , Jiliang Tang , Caihua Shan

Despite recent successes in natural language processing and computer vision, Transformer suffers from the scalability problem when dealing with graphs. The computational complexity is unacceptable for large-scale graphs, e.g., knowledge…

Machine Learning · Computer Science 2022-02-23 Lingbing Guo , Qiang Zhang , Huajun Chen

Recently, the deep learning community has given growing attention to neural architectures engineered to learn problems in relational domains. Convolutional Neural Networks employ parameter sharing over the image domain, tying the weights of…

Machine Learning · Computer Science 2019-02-26 Marcelo O. R. Prates , Pedro H. C. Avelar , Henrique Lemos , Marco Gori , Luis Lamb

Understanding what graph neural networks can learn, especially their ability to learn to execute algorithms, remains a central theoretical challenge. In this work, we prove exact learnability results for graph algorithms under…

Machine Learning · Computer Science 2026-02-02 Muhammad Fetrat Qharabagh , Artur Back de Luca , George Giapitzakis , Kimon Fountoulakis

Algorithmic reasoning requires capabilities which are most naturally understood through recurrent models of computation, like the Turing machine. However, Transformer models, while lacking recurrence, are able to perform such reasoning…

Machine Learning · Computer Science 2023-05-03 Bingbin Liu , Jordan T. Ash , Surbhi Goel , Akshay Krishnamurthy , Cyril Zhang