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In this contribution, we demonstrate that Graph Neural Networks and Transformers can learn to reason about geometric constraints. We train them to predict spatial position of points in a discrete 2D grid from a set of constraints that…

Machine Learning · Computer Science 2026-03-03 Jan Hůla , David Mojžíšek , Jiří Janeček , David Herel , Mikoláš Janota

The Transformer architecture has achieved remarkable success in a number of domains including natural language processing and computer vision. However, when it comes to graph-structured data, transformers have not achieved competitive…

Machine Learning · Computer Science 2022-10-11 Zaixi Zhang , Qi Liu , Qingyong Hu , Chee-Kong Lee

Graph neural networks are powerful architectures for structured datasets. However, current methods struggle to represent long-range dependencies. Scaling the depth or width of GNNs is insufficient to broaden receptive fields as larger GNNs…

Machine Learning · Computer Science 2022-01-24 Zhanghao Wu , Paras Jain , Matthew A. Wright , Azalia Mirhoseini , Joseph E. Gonzalez , Ion Stoica

Transformers and more specifically decoder-only transformers dominate modern LLM architectures. While they have shown to work exceptionally well, they are not without issues, resulting in surprising failure modes and predictably asymmetric…

Machine Learning · Computer Science 2025-12-11 Hunjae Lee

A few models have tried to tackle the link prediction problem, also known as knowledge graph completion, by embedding knowledge graphs in comparably lower dimensions. However, the state-of-the-art results are attained at the cost of…

Machine Learning · Computer Science 2022-11-29 Peyman Baghershahi , Reshad Hosseini , Hadi Moradi

Looped Transformers have shown exceptional neural algorithmic reasoning capability in simulating traditional graph algorithms, but their application to more complex structures like hypergraphs remains underexplored. Hypergraphs generalize…

Machine Learning · Computer Science 2026-01-27 Zekai Huang , Yingyu Liang , Zhenmei Shi , Zhao Song , Zhen Zhuang

Standard Federated Learning (FL) techniques are limited to clients with identical network architectures. This restricts potential use-cases like cross-platform training or inter-organizational collaboration when both data privacy and…

Machine Learning · Computer Science 2022-01-24 Or Litany , Haggai Maron , David Acuna , Jan Kautz , Gal Chechik , Sanja Fidler

We establish connections between the Transformer architecture, originally introduced for natural language processing, and Graph Neural Networks (GNNs) for representation learning on graphs. We show how Transformers can be viewed as message…

Machine Learning · Computer Science 2025-06-30 Chaitanya K. Joshi

At present, the mechanisms of in-context learning in Transformers are not well understood and remain mostly an intuition. In this paper, we suggest that training Transformers on auto-regressive objectives is closely related to…

Transformer based models have shown remarkable capabilities in sequence learning across a wide range of tasks, often performing well on specific task by leveraging input-output examples. Despite their empirical success, a comprehensive…

Machine Learning · Computer Science 2025-06-03 Yifan Hao , Chenlu Ye , Chi Han , Tong Zhang

Various Graph Neural Networks (GNNs) have been successful in analyzing data in non-Euclidean spaces, however, they have limitations such as oversmoothing, i.e., information becomes excessively averaged as the number of hidden layers…

Machine Learning · Computer Science 2024-01-23 Jaeyoon Sim , Sooyeon Jeon , InJun Choi , Guorong Wu , Won Hwa Kim

Convolutional neural networks (CNNs) have achieved great success on grid-like data such as images, but face tremendous challenges in learning from more generic data such as graphs. In CNNs, the trainable local filters enable the automatic…

Machine Learning · Computer Science 2018-09-05 Hongyang Gao , Zhengyang Wang , Shuiwang Ji

Planning is a crucial element of both human intelligence and contemporary large language models (LLMs). In this paper, we initiate a theoretical investigation into the emergence of planning capabilities in Transformer-based LLMs via their…

Machine Learning · Computer Science 2024-11-12 Siwei Wang , Yifei Shen , Shi Feng , Haoran Sun , Shang-Hua Teng , Wei Chen

Graph Convolutional Networks (GCNs) gained traction for graph representation learning, with recent attention on improving performance on heterophilic graphs for various real-world applications. The localized feature aggregation in a typical…

Machine Learning · Computer Science 2025-07-30 Garv Kaushik

Transformers have recently emerged as powerful neural networks for graph learning, showcasing state-of-the-art performance on several graph property prediction tasks. However, these results have been limited to small-scale graphs, where the…

Machine Learning · Computer Science 2023-12-19 Vijay Prakash Dwivedi , Yozen Liu , Anh Tuan Luu , Xavier Bresson , Neil Shah , Tong Zhao

Multi-task learning of deformable object manipulation is a challenging problem in robot manipulation. Most previous works address this problem in a goal-conditioned way and adapt goal images to specify different tasks, which limits the…

Robotics · Computer Science 2024-01-30 Yuhong Deng , Kai Mo , Chongkun Xia , Xueqian Wang

Pretraining plays a pivotal role in acquiring generalized knowledge from large-scale data, achieving remarkable successes as evidenced by large models in CV and NLP. However, progress in the graph domain remains limited due to fundamental…

Artificial Intelligence · Computer Science 2024-06-21 Yu Song , Haitao Mao , Jiachen Xiao , Jingzhe Liu , Zhikai Chen , Wei Jin , Carl Yang , Jiliang Tang , Hui Liu

Efficient training and inference algorithms, such as low-rank adaption and model pruning, have shown impressive performance for learning Transformer-based large foundation models. However, due to the technical challenges of the non-convex…

Machine Learning · Computer Science 2024-06-26 Hongkang Li , Meng Wang , Shuai Zhang , Sijia Liu , Pin-Yu Chen

Transformers demonstrate significant advantages as the building block of modern LLMs. In this work, we study the capacities of Transformers in performing unsupervised learning. We show that multi-layered Transformers, given a sufficiently…

Machine Learning · Statistics 2025-01-14 Yihan He , Yuan Cao , Hong-Yu Chen , Dennis Wu , Jianqing Fan , Han Liu

Language models are increasingly capable, yet still fail at a seemingly simple task of multi-digit multiplication. In this work, we study why, by reverse-engineering a model that successfully learns multiplication via \emph{implicit…

Machine Learning · Computer Science 2025-10-02 Xiaoyan Bai , Itamar Pres , Yuntian Deng , Chenhao Tan , Stuart Shieber , Fernanda Viégas , Martin Wattenberg , Andrew Lee