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We propose a recipe on how to build a general, powerful, scalable (GPS) graph Transformer with linear complexity and state-of-the-art results on a diverse set of benchmarks. Graph Transformers (GTs) have gained popularity in the field of…

机器学习 · 计算机科学 2023-01-18 Ladislav Rampášek , Mikhail Galkin , Vijay Prakash Dwivedi , Anh Tuan Luu , Guy Wolf , Dominique Beaini

Random walks on graphs are a fundamental concept in graph theory and play a crucial role in solving a wide range of theoretical and applied problems in discrete math, probability, theoretical computer science, network science, and machine…

谱理论 · 数学 2023-11-21 Marzieh Eidi , Sayan Mukherjee

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…

Graph-based representations play a key role in machine learning. The fundamental step in these representations is the association of a graph structure to a dataset. In this paper, we propose a method that aims at finding a block sparse…

信号处理 · 电气工程与系统科学 2019-03-27 Stefania Sardellitti , Sergio Barbarossa , Paolo Di Lorenzo

Large language models (LLMs) are increasingly used to complete complex tasks by selecting and coordinating external tools across multiple steps. This requires aligning tool choices with subtask intent while satisfying directional execution…

机器学习 · 计算机科学 2026-05-13 Xinyi Gao , Xinyu Ren , Junliang Yu , Tong Chen , Quoc Viet Hung Nguyen , Hongzhi Yin

We consider random walks evolving on two models of connected and undirected graphs and study the exact large deviations of a local dynamical observable. We prove, in the thermodynamic limit, that this observable undergoes a first-order…

统计力学 · 物理学 2024-09-09 Giorgio Carugno , Pierpaolo Vivo , Francesco Coghi

Many signals evolve in time as a stochastic process, randomly switching between states over discretely sampled time points. Here we make an explicit link between the underlying stochastic process of a signal that can take on a bounded…

机器学习 · 统计学 2026-05-11 Stefan Klus , Jason J. Bramburger

Transformers have exhibited exceptional capabilities in sequence modeling tasks, leveraging self-attention and in-context learning. Critical to this success are induction heads, attention circuits that enable copying tokens based on their…

机器学习 · 计算机科学 2025-09-11 Francesco D'Angelo , Francesco Croce , Nicolas Flammarion

The main purpose of this thesis is to study the interplay between geometric properties of infinite graphs and analytic and probabilistic objects such as transition operators, harmonic functions and random walks on these graphs. For a…

概率论 · 数学 2010-12-14 Ecaterina Sava

Variable binding -- the ability to associate variables with values -- is fundamental to symbolic computation and cognition. Although classical architectures typically implement variable binding via addressable memory, it is not well…

机器学习 · 计算机科学 2025-06-03 Yiwei Wu , Atticus Geiger , Raphaël Millière

Recent advances in neural networks have solved common graph problems such as link prediction, node classification, node clustering, node recommendation by developing embeddings of entities and relations into vector spaces. Graph embeddings…

社会与信息网络 · 计算机科学 2021-11-19 Archit Parnami , Mayuri Deshpande , Anant Kumar Mishra , Minwoo Lee

Large language models show great potential in unstructured data understanding, but still face significant challenges with graphs due to their structural hallucination. Existing approaches mainly either verbalize graphs into natural…

计算与语言 · 计算机科学 2026-02-03 Jingyao Wu , Bin Lu , Zijun Di , Xiaoying Gan , Meng Jin , Luoyi Fu , Xinbing Wang , Chenghu Zhou

We argue that Transformers are essentially graph-to-graph models, with sequences just being a special case. Attention weights are functionally equivalent to graph edges. Our Graph-to-Graph Transformer architecture makes this ability…

计算与语言 · 计算机科学 2023-10-30 James Henderson , Alireza Mohammadshahi , Andrei C. Coman , Lesly Miculicich

The design of Graph Transformers (GTs) generally neglects considerations for fairness, resulting in biased outcomes against certain sensitive subgroups. Since GTs encode graph information without relying on message-passing mechanisms,…

机器学习 · 计算机科学 2024-04-29 Renqiang Luo , Huafei Huang , Shuo Yu , Xiuzhen Zhang , Feng Xia

Transformers have achieved great success in several domains, including Natural Language Processing and Computer Vision. However, its application to real-world graphs is less explored, mainly due to its high computation cost and its poor…

机器学习 · 计算机科学 2023-01-31 Weilin Cong , Yanhong Wu , Yuandong Tian , Mengting Gu , Yinglong Xia , Chun-cheng Jason Chen , Mehrdad Mahdavi

Transformers have impressive generalization capabilities on tasks with a fixed context length. However, they fail to generalize to sequences of arbitrary length, even for seemingly simple tasks such as duplicating a string. Moreover, simply…

Many real-world datasets have an underlying dynamic graph structure, where entities and their interactions evolve over time. Machine learning models should consider these dynamics in order to harness their full potential in downstream…

Blockchain technology, with implications in the financial domain, offers data in the form of large-scale transaction networks. Analyzing transaction networks facilitates fraud detection, market analysis, and supports government regulation.…

计算工程、金融与科学 · 计算机科学 2025-01-23 Junliang Luo , Xue Liu

Given a graph $G$ and two independent sets of same size, the Independent Set Reconfiguration Problem under token sliding ask whether one can, in a step by step manner, transform the first independent set into the second one. In each step we…

离散数学 · 计算机科学 2025-05-01 Jona Dirks , Alexandre Vigny

Random walks on graphs are an essential primitive for many randomised algorithms and stochastic processes. It is natural to ask how much can be gained by running $k$ multiple random walks independently and in parallel. Although the cover…

离散数学 · 计算机科学 2026-02-19 Nicolás Rivera , Thomas Sauerwald , John Sylvester