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Graph Neural Networks (GNNs) have become the standard approach for learning and reasoning over relational data, leveraging the message-passing mechanism that iteratively propagates node embeddings through graph structures. While GNNs have…

Machine Learning · Computer Science 2025-01-14 Xiaoyu Li , Yingyu Liang , Zhenmei Shi , Zhao Song , Wei Wang , Jiahao Zhang

Graph neural networks (GNNs) are the predominant approach for graph-based machine learning. While neural networks have shown great performance at learning useful representations, they are often criticized for their limited high-level…

Machine Learning · Computer Science 2024-07-09 Markus Zopf , Francesco Alesiani

Recent advances in neural algorithmic reasoning with graph neural networks (GNNs) are propped up by the notion of algorithmic alignment. Broadly, a neural network will be better at learning to execute a reasoning task (in terms of sample…

Machine Learning · Computer Science 2022-10-12 Andrew Dudzik , Petar Veličković

Transformers have demonstrated remarkable performance in natural language processing and related domains, as they largely focus on sequential, autoregressive next-token prediction tasks. Yet, they struggle in logical reasoning, not…

Artificial Intelligence · Computer Science 2025-10-08 Renee Ge , Qianli Liao , Tomaso Poggio

Transformers have demonstrated remarkable capabilities in multi-step reasoning tasks. However, understandings of the underlying mechanisms by which they acquire these abilities through training remain limited, particularly from a…

Machine Learning · Computer Science 2025-12-09 Tong Yang , Yu Huang , Yingbin Liang , Yuejie Chi

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

Large Language Models (LLMs) excel at generating natural language answers, yet their outputs often remain unverifiable and difficult to trace. Knowledge Graphs (KGs) offer a complementary strength by representing entities and their…

Computation and Language · Computer Science 2025-12-05 Alfonso Amayuelas , Joy Sain , Simerjot Kaur , Charese Smiley

Large Language Models (LLMs) have achieved remarkable success across various domains. However, they still face significant challenges, including high computational costs for training and limitations in solving complex reasoning problems.…

Machine Learning · Computer Science 2025-05-20 Hang Gao , Chenhao Zhang , Tie Wang , Junsuo Zhao , Fengge Wu , Changwen Zheng , Huaping Liu

Recent research has explored the use of Large Language Models (LLMs) for tackling complex graph reasoning tasks. However, due to the intricacies of graph structures and the inherent limitations of LLMs in handling long text, current…

Artificial Intelligence · Computer Science 2025-11-26 Yuwei Hu , Runlin Lei , Xinyi Huang , Zhewei Wei , Yongchao Liu

Investigating the reasoning abilities of transformer models, and discovering new challenging tasks for them, has been a topic of much interest. Recent studies have found these models to be surprisingly strong at performing deductive…

Computation and Language · Computer Science 2021-12-17 Kyle Richardson , Ashish Sabharwal

We show theoretically and empirically that the linear Transformer, when applied to graph data, can implement algorithms that solve canonical problems such as electric flow and eigenvector decomposition. The Transformer has access to…

Machine Learning · Computer Science 2025-03-04 Xiang Cheng , Lawrence Carin , Suvrit Sra

The Transformer architecture has become a dominant choice in many domains, such as natural language processing and computer vision. Yet, it has not achieved competitive performance on popular leaderboards of graph-level prediction compared…

Machine Learning · Computer Science 2021-11-25 Chengxuan Ying , Tianle Cai , Shengjie Luo , Shuxin Zheng , Guolin Ke , Di He , Yanming Shen , Tie-Yan Liu

Logical reasoning is central to complex human activities, such as thinking, debating, and planning; it is also a central component of many AI systems as well. In this paper, we investigate the extent to which encoder-only transformer…

Computation and Language · Computer Science 2024-07-02 Paulo Pirozelli , Marcos M. José , Paulo de Tarso P. Filho , Anarosa A. F. Brandão , Fabio G. Cozman

Learning to execute algorithms is a fundamental problem that has been widely studied. Prior work~\cite{veli19neural} has shown that to enable systematic generalisation on graph algorithms it is critical to have access to the intermediate…

Machine Learning · Computer Science 2021-10-28 Louis-Pascal A. C. Xhonneux , Andreea Deac , Petar Velickovic , Jian Tang

State-of-the-art deep-learning-based approaches to Natural Language Processing (NLP) are credited with various capabilities that involve reasoning with natural language texts. In this paper we carry out a large-scale empirical study…

Computation and Language · Computer Science 2022-11-11 Viktor Schlegel , Kamen V. Pavlov , Ian Pratt-Hartmann

Graphs have a superior ability to represent relational data, like chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been applied to many tasks including comparison,…

Machine Learning · Computer Science 2023-05-26 Zhenyu Yang , Ge Zhang , Jia Wu , Jian Yang , Quan Z. Sheng , Shan Xue , Chuan Zhou , Charu Aggarwal , Hao Peng , Wenbin Hu , Edwin Hancock , Pietro Liò

For large language models (LLMs), reasoning over graphs could help solve many problems. Prior work has tried to improve LLM graph reasoning by examining how best to serialize graphs as text and by combining GNNs and LLMs. However, the…

Machine Learning · Computer Science 2025-08-15 Sola Shirai , Kavitha Srinivas , Julian Dolby , Michael Katz , Horst Samulowitz , Shirin Sohrabi

This work provides the first theoretical analysis of training transformers to solve complex problems by recursively generating intermediate states, analogous to fine-tuning for chain-of-thought (CoT) reasoning. We consider training a…

Machine Learning · Computer Science 2025-03-12 Juno Kim , Taiji Suzuki

Machine reading comprehension has aroused wide concerns, since it explores the potential of model for text understanding. To further equip the machine with the reasoning capability, the challenging task of logical reasoning is proposed.…

Computation and Language · Computer Science 2022-07-11 Fangzhi Xu , Jun Liu , Qika Lin , Yudai Pan , Lingling Zhang

Large language models have shown remarkable reasoning abilities and scaling laws suggest that large parameter count, especially along the depth axis, is the primary driver. In this work, we make a stronger claim -- many reasoning problems…

Computation and Language · Computer Science 2025-02-25 Nikunj Saunshi , Nishanth Dikkala , Zhiyuan Li , Sanjiv Kumar , Sashank J. Reddi