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This paper investigates the ability of transformer-based models to learn structural recursion from examples. Recursion is a universal concept in both natural and formal languages. Structural recursion is central to the programming language…

Computation and Language · Computer Science 2024-01-24 Dylan Zhang , Curt Tigges , Zory Zhang , Stella Biderman , Maxim Raginsky , Talia Ringer

Transformers often appear to perform Bayesian reasoning in context, but verifying this rigorously has been impossible: natural data lack analytic posteriors, and large models conflate reasoning with memorization. We address this by…

Machine Learning · Computer Science 2026-05-19 Naman Agarwal , Siddhartha R. Dalal , Vishal Misra

Large language models (LLMs) have achieved great success in many fields, and recent works have studied exploring LLMs for graph discriminative tasks such as node classification. However, the abilities of LLMs for graph generation remain…

Machine Learning · Computer Science 2024-03-22 Yang Yao , Xin Wang , Zeyang Zhang , Yijian Qin , Ziwei Zhang , Xu Chu , Yuekui Yang , Wenwu Zhu , Hong Mei

We study the approximation capabilities, convergence speeds and on-convergence behaviors of transformers trained on in-context recall tasks -- which requires to recognize the \emph{positional} association between a pair of tokens from…

Machine Learning · Computer Science 2025-10-22 Quan Nguyen , Thanh Nguyen-Tang

Attention mechanisms are critical to the success of large language models (LLMs), driving significant advancements in multiple fields. However, for graph-structured data, which requires emphasis on topological connections, they fall short…

Artificial Intelligence · Computer Science 2025-05-06 Zhong Guan , Likang Wu , Hongke Zhao , Ming He , Jianpin Fan

Model pre-training on large text corpora has been demonstrated effective for various downstream applications in the NLP domain. In the graph mining domain, a similar analogy can be drawn for pre-training graph models on large graphs in the…

Computation and Language · Computer Science 2023-06-06 Han Xie , Da Zheng , Jun Ma , Houyu Zhang , Vassilis N. Ioannidis , Xiang Song , Qing Ping , Sheng Wang , Carl Yang , Yi Xu , Belinda Zeng , Trishul Chilimbi

In-context learning (ICL) has emerged as a powerful paradigm for easily adapting Large Language Models (LLMs) to various tasks. However, our understanding of how ICL works remains limited. We explore a simple model of ICL in a controlled…

Machine Learning · Computer Science 2025-09-03 Omar Naim , Guilhem Fouilhé , Nicholas Asher

Transformer models have achieved state-of-the-art performance on various domains of applications and gradually becomes the foundations of the advanced large deep learning (DL) models. However, how to train these models over multiple GPUs…

Machine Learning · Computer Science 2022-11-28 Xupeng Miao , Yujie Wang , Youhe Jiang , Chunan Shi , Xiaonan Nie , Hailin Zhang , Bin Cui

Recent advances have shown the success of using reinforcement learning and search to solve NP-hard graph-related tasks, such as Traveling Salesman Optimization, Graph Edit Distance computation, etc. However, it remains unclear how one can…

Machine Learning · Computer Science 2022-10-03 Yunsheng Bai , Derek Xu , Yizhou Sun , Wei Wang

Transformers deliver outstanding performance across a wide range of tasks and are now a dominant backbone architecture for large language models (LLMs). Their task-solving performance is improved by increasing parameter size, as shown in…

Computation and Language · Computer Science 2025-06-10 Hidetaka Kamigaito , Ying Zhang , Jingun Kwon , Katsuhiko Hayashi , Manabu Okumura , Taro Watanabe

The remarkable success of large language models (LLMs) has motivated researchers to adapt them as universal predictors for various graph tasks. As a widely recognized paradigm, Graph-Tokenizing LLMs (GTokenLLMs) compress complex graph data…

Computation and Language · Computer Science 2026-05-06 Zhongjian Zhang , Yue Yu , Mengmei Zhang , Junping Du , Xiao Wang , Chuan Shi

A graph is a fundamental data model to represent various entities and their complex relationships in society and nature, such as social networks, transportation networks, and financial networks. Recently, large language models (LLMs) have…

Computation and Language · Computer Science 2025-07-08 Wenbo Shang , Xin Huang

What are the root causes of hallucinations in large language models (LLMs)? We use Communication Complexity to prove that the Transformer layer is incapable of composing functions (e.g., identify a grandparent of a person in a genealogy) if…

Machine Learning · Statistics 2024-02-28 Binghui Peng , Srini Narayanan , Christos Papadimitriou

Graph mining applications analyze the structural properties of large graphs, and they do so by finding subgraph isomorphisms, which makes them computationally intensive. Existing graph mining techniques including both custom graph mining…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-12-09 Kasra Jamshidi , Keval Vora

Graph neural networks (GNNs) are often trained on individual datasets, requiring specialized models and significant hyperparameter tuning due to the unique structures and features of each dataset. This approach limits the scalability and…

Machine Learning · Computer Science 2026-02-17 Divyansha Lachi , Mehdi Azabou , Vinam Arora , Eva Dyer

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

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

Transformers trained via Reinforcement Learning (RL) with outcome-based supervision can spontaneously develop the ability to generate intermediate reasoning steps (Chain-of-Thought). Yet the mechanism by which sparse rewards drive policy…

Machine Learning · Computer Science 2026-02-03 Yuval Ran-Milo , Yotam Alexander , Shahar Mendel , Nadav Cohen

Although Large Language Models (LLMs) have demonstrated remarkable progress, their proficiency in graph-related tasks remains notably limited, hindering the development of truly general-purpose models. Previous attempts, including…

Machine Learning · Computer Science 2025-08-20 Xiaojun Guo , Ang Li , Yifei Wang , Stefanie Jegelka , Yisen Wang

There have been many recent investigations into prompt-based training of transformer language models for new text genres in low-resource settings. The prompt-based training approach has been found to be effective in generalizing pre-trained…

Computation and Language · Computer Science 2023-06-13 Jennifer D'Souza , Moussab Hrou , Sören Auer