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The problem of identifying geometric structure in data is a cornerstone of (unsupervised) learning. As a result, Geometric Representation Learning has been widely applied across scientific and engineering domains. In this work, we…

Machine Learning · Computer Science 2025-06-03 Imran Nasim , Melanie Weber

While convolutional neural networks have shown a tremendous impact on various computer vision tasks, they generally demonstrate limitations in explicitly modeling long-range dependencies due to the intrinsic locality of the convolution…

Computer Vision and Pattern Recognition · Computer Science 2021-08-06 Guanglei Yang , Hao Tang , Mingli Ding , Nicu Sebe , Elisa Ricci

Algorithms for the action segmentation task typically use temporal models to predict what action is occurring at each frame for a minute-long daily activity. Recent studies have shown the potential of Transformer in modeling the relations…

Computer Vision and Pattern Recognition · Computer Science 2021-10-19 Fangqiu Yi , Hongyu Wen , Tingting Jiang

The internal representations learned by deep networks are often sensitive to architecture-specific choices, raising questions about the stability, alignment, and transferability of learned structure across models. In this paper, we…

Machine Learning · Computer Science 2025-08-06 Saleh Nikooroo , Thomas Engel

Inference from interaction maps, such as centromere identification from genome-wide chromosome conformation capture techniques -- notably Hi-C -- can be formulated as a generic inverse problem: infer a set of parameters given a map…

Machine Learning · Computer Science 2026-05-27 Eloïse Touron , Pedro L. C. Rodrigues , Julyan Arbel , Nelle Varoquaux , Michael Arbel

Symbolic regression is a machine learning technique that can learn the governing formulas of data and thus has the potential to transform scientific discovery. However, symbolic regression is still limited in the complexity and…

Machine Learning · Computer Science 2023-05-30 Michael Zhang , Samuel Kim , Peter Y. Lu , Marin Soljačić

Reasoning capability is essential to ensure the factual correctness of the responses of transformer-based Large Language Models (LLMs), and robust reasoning about transitive relations is instrumental in many settings, such as causal…

Computation and Language · Computer Science 2026-04-23 Amit Roy , Abulhair Saparov

The extraction of a scene graph with objects as nodes and mutual relationships as edges is the basis for a deep understanding of image content. Despite recent advances, such as message passing and joint classification, the detection of…

Computer Vision and Pattern Recognition · Computer Science 2021-07-22 Rajat Koner , Suprosanna Shit , Volker Tresp

The Transformer architecture has revolutionized the field of sequence modeling and underpins the recent breakthroughs in large language models (LLMs). However, a comprehensive mathematical theory that explains its structure and operations…

Machine Learning · Computer Science 2026-04-14 Xue-Cheng Tai , Hao Liu , Lingfeng Li , Raymond H. Chan

Navigation through uncontrolled intersections is one of the key challenges for autonomous vehicles. Identifying the subtle differences in hidden traits of other drivers can bring significant benefits when navigating in such environments. We…

Robotics · Computer Science 2022-03-02 Shuijing Liu , Peixin Chang , Haonan Chen , Neeloy Chakraborty , Katherine Driggs-Campbell

Retrosynthesis prediction is one of the fundamental challenges in organic synthesis. The task is to predict the reactants given a core product. With the advancement of machine learning, computer-aided synthesis planning has gained…

Chemical Physics · Physics 2022-02-01 Yue Wan , Benben Liao , Chang-Yu Hsieh , Shengyu Zhang

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

Topology optimization is used for the design of high-performance structures but remains fundamentally limited by its iterative nature, requiring repeated finite element analyses that prevent real-time deployment and large-scale design…

Computational Engineering, Finance, and Science · Computer Science 2026-04-07 Aaron Lutheran , Srijan Das , Alireza Tabarraei

Understanding the mechanisms underlying deep neural networks remains a fundamental challenge in machine learning and computer vision. One promising, yet only preliminarily explored approach, is feature inversion, which attempts to…

Computer Vision and Pattern Recognition · Computer Science 2025-08-15 Jan Rathjens , Shirin Reyhanian , David Kappel , Laurenz Wiskott

Intersecting manifold segmentation has been a focus of research, where individual manifolds, that intersect with other manifolds, are separated to discover their distinct properties. The proposed method is based on the intuition that when a…

Machine Learning · Computer Science 2024-10-03 Subhadip Boral , Rikathi Pal , Ashish Ghosh

We present an end-to-end framework for generating solutions to combinatorial optimization problems with unknown components using transformer-based sequence-to-sequence neural networks. Our framework learns directly from past solutions and…

Optimization and Control · Mathematics 2026-02-06 Macarena Navarro , Willem-Jan van Hoeve , Karan Singh

Grasp detection in a cluttered environment is still a great challenge for robots. Currently, the Transformer mechanism has been successfully applied to visual tasks, and its excellent ability of global context information extraction…

Robotics · Computer Science 2022-05-31 Mingshuai Dong , Xiuli Yu

We introduce a program aimed to studying problems arising from the theory of complex networks with differential geometric means. We study the propagation of influences on manifolds assuming that at each point only a finite number of…

Mathematical Physics · Physics 2016-04-26 Leonardo Cano , Rafael Diaz

Real-world data generation often involves complex inter-dependencies among instances, violating the IID-data hypothesis of standard learning paradigms and posing a challenge for uncovering the geometric structures for learning desired…

Machine Learning · Computer Science 2023-05-30 Qitian Wu , Chenxiao Yang , Wentao Zhao , Yixuan He , David Wipf , Junchi Yan

Transformers have become widely used in various tasks, such as natural language processing and machine vision. This paper proposes Gransformer, an algorithm based on Transformer for generating graphs. We modify the Transformer encoder to…

Machine Learning · Computer Science 2024-06-03 Ahmad Khajenezhad , Seyed Ali Osia , Mahmood Karimian , Hamid Beigy