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Graph neural networks (GNNs) build on the success of deep learning models by extending them for use in graph spaces. Transfer learning has proven extremely successful for traditional deep learning problems: resulting in faster training and…

Machine Learning · Computer Science 2022-02-03 Nishai Kooverjee , Steven James , Terence van Zyl

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

Graphs provide a powerful means for representing complex interactions between entities. Recently, deep learning approaches are emerging for representing and modeling graph-structured data, although the conventional deep learning methods…

Neural and Evolutionary Computing · Computer Science 2016-12-06 Jaekoo Lee , Hyunjae Kim , Jongsun Lee , Sungroh Yoon

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

We reveal that transformers trained in an autoregressive manner naturally encode time-delayed causal structures in their learned representations. When predicting future values in multivariate time series, the gradient sensitivities of…

Machine Learning · Computer Science 2026-01-12 Xinyue Wang , Stephen Wang , Biwei Huang

Transformers have proven highly effective across various applications, especially in handling sequential data such as natural languages and time series. However, transformer models often lack clear interpretability, and the success of…

Machine Learning · Computer Science 2025-12-01 Wei Shi , Yuan Cao

Transformers have become the foundational architecture for a broad spectrum of sequence modeling applications, underpinning state-of-the-art systems in natural language processing, vision, and beyond. However, their theoretical limitations…

Computation and Language · Computer Science 2026-02-13 Michelle Yuan , Weiyi Sun , Amir H. Rezaeian , Jyotika Singh , Sandip Ghoshal , Yao-Ting Wang , Miguel Ballesteros , Yassine Benajiba

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

Machine Learning · Computer Science 2020-02-06 Seongjun Yun , Minbyul Jeong , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Transformer-based LLMs demonstrate strong performance on graph reasoning tasks, yet their internal mechanisms remain underexplored. To uncover these reasoning process mechanisms in a fundamental and unified view, we set the basic…

Machine Learning · Computer Science 2025-09-25 Xinnan Dai , Chung-Hsiang Lo , Kai Guo , Shenglai Zeng , Dongsheng Luo , Jiliang Tang

Multivariate graphs are prolific across many fields, including transportation and neuroscience. A key task in graph analysis is the exploration of connectivity, to, for example, analyze how signals flow through neurons, or to explore how…

Transformers have shown a remarkable ability for in-context learning (ICL), making predictions based on contextual examples. However, while theoretical analyses have explored this prediction capability, the nature of the inferred context…

Machine Learning · Computer Science 2025-05-20 Fei Lu , Yue Yu

The transformer is a neural network component that can be used to learn useful representations of sequences or sets of data-points. The transformer has driven recent advances in natural language processing, computer vision, and…

Machine Learning · Computer Science 2026-01-21 Richard E. Turner

The ability to reason lies at the core of artificial intelligence (AI), and challenging problems usually call for deeper and longer reasoning to tackle. A crucial question about AI reasoning is whether models can extrapolate learned…

Machine Learning · Computer Science 2025-11-11 Yu Huang , Zixin Wen , Aarti Singh , Yuejie Chi , Yuxin Chen

Networks (graphs) in psychology are often restricted to settings without interventions. Here we consider a framework borrowed from biology that involves multiple interventions from different contexts (observations and experiments) in a…

Methodology · Statistics 2024-09-23 Lourens Waldorp , Jolanda Kossakowski , Han L. J. van der Maas

In-context learning refers to the ability of a model to condition on a prompt sequence consisting of in-context examples (input-output pairs corresponding to some task) along with a new query input, and generate the corresponding output.…

Computation and Language · Computer Science 2023-08-15 Shivam Garg , Dimitris Tsipras , Percy Liang , Gregory Valiant

Graphs have become a central representation in machine learning for capturing relational and structured data across various domains. Traditional graph neural networks often struggle to capture long-range dependencies between nodes due to…

Machine Learning · Computer Science 2025-08-26 Leon Dimitrov

Neural sequence models based on the transformer architecture have demonstrated remarkable \emph{in-context learning} (ICL) abilities, where they can perform new tasks when prompted with training and test examples, without any parameter…

Machine Learning · Computer Science 2023-07-07 Yu Bai , Fan Chen , Huan Wang , Caiming Xiong , Song Mei

Recently the Transformer structure has shown good performances in graph learning tasks. However, these Transformer models directly work on graph nodes and may have difficulties learning high-level information. Inspired by the vision…

Machine Learning · Computer Science 2023-04-11 Han Gao , Xu Han , Jiaoyang Huang , Jian-Xun Wang , Li-Ping Liu

Graphs are ubiquitous due to their flexibility in representing social and technological systems as networks of interacting elements. Graph representation learning methods, such as node embeddings, are powerful approaches to map nodes into a…

Machine Learning · Computer Science 2023-10-03 Simone Piaggesi , Megha Khosla , André Panisson , Avishek Anand

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…