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It has been observed that transformers with greater depth (that is, more layers) have more capabilities, but can we establish formally which capabilities are gained? We answer this question with a theoretical proof followed by an empirical…

Computation and Language · Computer Science 2026-01-21 Andy Yang , Michaël Cadilhac , David Chiang

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

Several recent works demonstrate that transformers can implement algorithms like gradient descent. By a careful construction of weights, these works show that multiple layers of transformers are expressive enough to simulate iterations of…

Machine Learning · Computer Science 2023-11-13 Kwangjun Ahn , Xiang Cheng , Hadi Daneshmand , 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

We consider dynamical and geometrical aspects of deep learning. For many standard choices of layer maps we display semi-invariant metrics which quantify differences between data or decision functions. This allows us, when considering random…

Machine Learning · Computer Science 2021-04-23 Benny Avelin , Anders Karlsson

Graph foundation models have demonstrated remarkable adaptability across diverse downstream tasks through large-scale pretraining on graphs. However, existing implementations of the backbone model, graph transformers, are typically limited…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-21 Jun-Liang Lin , Kamesh Madduri , Mahmut Taylan Kandemir

We formally define algorithmic capture of combinatorial tasks as the ability of a transformer to extrapolate to arbitrary task sizes with controllable error and logarithmic sample adaptation, providing a sharp scaling criterion for…

Machine Learning · Computer Science 2026-05-08 Orit Davidovich , Zohar Ringel

Most Graph Neural Networks (GNNs) cannot distinguish some graphs or indeed some pairs of nodes within a graph. This makes it impossible to solve certain classification tasks. However, adding additional node features to these models can…

Machine Learning · Computer Science 2022-09-20 Beni Egressy , Roger Wattenhofer

Graph Transformers excel in long-range dependency modeling, but generally require quadratic memory complexity in the number of nodes in an input graph, and hence have trouble scaling to large graphs. Sparse attention variants such as…

Machine Learning · Computer Science 2024-11-26 Hamed Shirzad , Honghao Lin , Balaji Venkatachalam , Ameya Velingker , David Woodruff , Danica Sutherland

Deep graph models (e.g., graph neural networks and graph transformers) have become important techniques for leveraging knowledge across various types of graphs. Yet, the neural scaling laws on graphs, i.e., how the performance of deep graph…

Machine Learning · Computer Science 2024-12-03 Jingzhe Liu , Haitao Mao , Zhikai Chen , Tong Zhao , Neil Shah , Jiliang Tang

It is known that the current graph neural networks (GNNs) are difficult to make themselves deep due to the problem known as over-smoothing. Multi-scale GNNs are a promising approach for mitigating the over-smoothing problem. However, there…

Machine Learning · Computer Science 2021-01-07 Kenta Oono , Taiji Suzuki

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

The expressivity of neural networks as a function of their depth, width and type of activation units has been an important question in deep learning theory. Recently, depth separation results for ReLU networks were obtained via a new…

Machine Learning · Computer Science 2020-07-21 Vaggos Chatziafratis , Sai Ganesh Nagarajan , Ioannis Panageas

Overparameterized transformer networks have obtained state of the art results in various natural language processing tasks, such as machine translation, language modeling, and question answering. These models contain hundreds of millions of…

Machine Learning · Computer Science 2019-09-26 Angela Fan , Edouard Grave , Armand Joulin

We study the problem of length generalization (LG) in transformers: the ability of a model trained on shorter sequences to maintain performance when evaluated on much longer, previously unseen inputs. Prior work by Huang et al. (2025)…

Machine Learning · Computer Science 2025-11-03 Zachary Izzo , Eshaan Nichani , Jason D. Lee

Many computational problems admit fast algorithms on special inputs, however, the required properties might be quite restrictive. E.g., many graph problems can be solved much faster on interval or cographs, or on graphs of small…

Data Structures and Algorithms · Computer Science 2022-09-30 Stefan Kratsch , Florian Nelles

Deep learning models are often considered black boxes due to their complex hierarchical transformations. Identifying suitable architectures is crucial for maximizing predictive performance with limited data. Understanding the geometric…

Machine Learning · Computer Science 2025-03-11 Michael Wienczkowski , Addisu Desta , Paschal Ugochukwu

Can transformers generalize efficiently on problems that require dealing with examples with different levels of difficulty? We introduce a new task tailored to assess generalization over different complexities and present results that…

Research on graph representation learning has received a lot of attention in recent years since many data in real-world applications come in form of graphs. High-dimensional graph data are often in irregular form, which makes them more…

Machine Learning · Computer Science 2020-06-03 Fenxiao Chen , Yuncheng Wang , Bin Wang , C. -C. Jay Kuo

Learning low-dimensional numerical representations from symbolic data, e.g., embedding the nodes of a graph into a geometric space, is an important concept in machine learning. While embedding into Euclidean space is common, recent…

Machine Learning · Computer Science 2024-10-10 Thomas Bläsius , Jean-Pierre von der Heydt , Maximilian Katzmann , Nikolai Maas
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