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Large language models (LLMs) have shown significant progress in reasoning tasks. However, recent studies show that transformers and LLMs fail catastrophically once reasoning problems exceed modest complexity. We revisit these findings…

Artificial Intelligence · Computer Science 2025-10-28 Revanth Rameshkumar , Jimson Huang , Yunxin Sun , Fei Xia , Abulhair Saparov

Following a fast initial breakthrough in graph based learning, Graph Neural Networks (GNNs) have reached a widespread application in many science and engineering fields, prompting the need for methods to understand their decision process.…

Machine Learning · Computer Science 2026-05-04 Antonio Longa , Steve Azzolin , Gabriele Santin , Giulia Cencetti , Pietro Liò , Bruno Lepri , Andrea Passerini

Graph is a universe data structure that is widely used to organize data in real-world. Various real-word networks like the transportation network, social and academic network can be represented by graphs. Recent years have witnessed the…

Machine Learning · Computer Science 2021-11-23 Xueyi Liu , Jie Tang

We seek to address a core challenge facing current Large Language Models (LLMs). LLMs have demonstrated superior performance in many tasks, yet continue to struggle with reasoning problems on explicit graphs that require multiple steps. To…

Machine Learning · Computer Science 2024-10-31 Alexander K Taylor , Anthony Cuturrufo , Vishal Yathish , Mingyu Derek Ma , Wei Wang

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

Recent studies suggest that large language models (LLMs) possess the capability to solve graph reasoning tasks. Notably, even when graph structures are embedded within textual descriptions, LLMs can still effectively answer related…

Computation and Language · Computer Science 2025-10-21 Xinnan Dai , Kai Yang , Jay Revolinsky , Kai Guo , Aoran Wang , Bohang Zhang , Jiliang Tang

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

Transformers flexibly operate over sets of real-valued vectors representing task-specific entities and their attributes, where each vector might encode one word-piece token and its position in a sequence, or some piece of information that…

Machine Learning · Computer Science 2023-03-14 Cameron Diao , Ricky Loynd

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Machine Learning · Statistics 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell

Despite that going deep has proven successful in many neural architectures, the existing graph transformers are relatively shallow. In this work, we explore whether more layers are beneficial to graph transformers, and find that current…

Machine Learning · Computer Science 2023-03-02 Haiteng Zhao , Shuming Ma , Dongdong Zhang , Zhi-Hong Deng , Furu Wei

Transformer networks have seen great success in natural language processing and machine vision, where task objectives such as next word prediction and image classification benefit from nuanced context sensitivity across high-dimensional…

Machine Learning · Computer Science 2022-12-13 Yuxuan Li , James L. McClelland

While transformers have proven enormously successful in a range of tasks, their fundamental properties as models of computation are not well understood. This paper contributes to the study of the expressive capacity of transformers,…

Machine Learning · Computer Science 2025-03-31 Lena Strobl , Dana Angluin , Robert Frank

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

Recently, transformer architectures for graphs emerged as an alternative to established techniques for machine learning with graphs, such as (message-passing) graph neural networks. So far, they have shown promising empirical results, e.g.,…

Machine Learning · Computer Science 2024-04-01 Luis Müller , Mikhail Galkin , Christopher Morris , Ladislav Rampášek

It is well understood that different neural network architectures are suited to different tasks, but is there always a single best architecture for a given task? We compare the expressive power of transformers, RNNs, and transformers with…

Machine Learning · Computer Science 2026-01-29 Gilad Yehudai , Noah Amsel , Joan Bruna

Graphs are a powerful tool for representing and analyzing complex relationships in real-world applications such as social networks, recommender systems, and computational finance. Reasoning on graphs is essential for drawing inferences…

Machine Learning · Computer Science 2023-10-10 Bahare Fatemi , Jonathan Halcrow , Bryan Perozzi

Reasoning, the ability to logically draw conclusions from existing knowledge, is a hallmark of human. Together with perception, they constitute the two major themes of artificial intelligence. While deep learning has pushed the limit of…

Artificial Intelligence · Computer Science 2024-10-18 Zhaocheng Zhu

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

Recent large-scale reasoning models have achieved state-of-the-art performance on challenging mathematical benchmarks, yet the internal mechanisms underlying their success remain poorly understood. In this work, we introduce the notion of a…

Artificial Intelligence · Computer Science 2025-10-02 Gouki Minegishi , Hiroki Furuta , Takeshi Kojima , Yusuke Iwasawa , Yutaka Matsuo

Evaluating the graph comprehension and reasoning abilities of Large Language Models (LLMs) is challenging and often incomplete. Existing benchmarks focus primarily on pure graph understanding, lacking a comprehensive evaluation across all…

Artificial Intelligence · Computer Science 2025-02-27 Zike Yuan , Ming Liu , Hui Wang , Bing Qin