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Recent work on neural algorithmic reasoning has demonstrated that graph neural networks (GNNs) could learn to execute classical algorithms. Doing so, however, has always used a recurrent architecture, where each iteration of the GNN aligns…

Machine Learning · Computer Science 2024-04-10 Dobrik Georgiev , Pietro Liò , Davide Buffelli

Neural algorithmic reasoning (NAR) is an emerging field that seeks to design neural networks that mimic classical algorithmic computations. Today, graph neural networks (GNNs) are widely used in neural algorithmic reasoners due to their…

Machine Learning · Computer Science 2024-12-03 Kaijia Xu , Petar Veličković

The cornerstone of neural algorithmic reasoning is the ability to solve algorithmic tasks, especially in a way that generalises out of distribution. While recent years have seen a surge in methodological improvements in this area, they…

While machine learning (ML) interatomic potentials (IPs) are able to achieve accuracies nearing the level of noise inherent in the first-principles data to which they are trained, it remains to be shown if their increased complexities are…

Materials Science · Physics 2023-10-05 Joshua A. Vita , Dallas R. Trinkle

Convolutional neural network (CNN) is a class of artificial neural networks widely used in computer vision tasks. Most CNNs achieve excellent performance by stacking certain types of basic units. In addition to increasing the depth and…

Computer Vision and Pattern Recognition · Computer Science 2021-02-09 Junyi An , Fengshan Liu , Jian Zhao , Furao Shen

Iterative Closest Point (ICP) solves the rigid point cloud registration problem iteratively in two steps: (1) make hard assignments of spatially closest point correspondences, and then (2) find the least-squares rigid transformation. The…

Computer Vision and Pattern Recognition · Computer Science 2021-03-29 Zi Jian Yew , Gim Hee Lee

Automated mathematical reasoning is a challenging problem that requires an agent to learn algebraic patterns that contain long-range dependencies. Two particular tasks that test this type of reasoning are (1) mathematical equation…

Machine Learning · Computer Science 2021-04-08 Ankur Mali , Alexander Ororbia , Daniel Kifer , C. Lee Giles

Deep learning has shown promising results for multiple 3D point cloud registration datasets. However, in the underwater domain, most registration of multibeam echo-sounder (MBES) point cloud data are still performed using classical methods…

Computer Vision and Pattern Recognition · Computer Science 2024-05-13 Li Ling , Jun Zhang , Nils Bore , John Folkesson , Anna Wåhlin

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

In recent years, the CNNs have achieved great successes in the image processing tasks, e.g., image recognition and object detection. Unfortunately, traditional CNN's classification is found to be easily misled by increasingly complex image…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-11-12 Xingyao Zhang , Shuaiwen Leon Song , Chenhao Xie , Jing Wang , Weigong Zhang , Xin Fu

The classical limit of quantum mechanics, formally investigated through frameworks like strict deformation quantization, remains a profound area of inquiry in the philosophy of physics. This paper explores a computational approach employing…

Quantum Physics · Physics 2025-04-16 Kamran Majid

The Iterative Closest Point (ICP) algorithm and its variants are a fundamental technique for rigid registration between two point sets, with wide applications in different areas from robotics to 3D reconstruction. The main drawbacks for ICP…

Computer Vision and Pattern Recognition · Computer Science 2023-04-18 Juyong Zhang , Yuxin Yao , Bailin Deng

We propose a new frontier: Neural Computers (NCs) that unify computation, memory, and I/O of traditional computers in a learned runtime state. Our long-term goal is the Completely Neural Computer (CNC): the mature, general-purpose…

With the rise of data driven deep neural networks as a realization of universal function approximators, most research on computer vision problems has moved away from hand crafted classical image processing algorithms. This paper shows that…

Computer Vision and Pattern Recognition · Computer Science 2018-02-02 Jason Ku , Ali Harakeh , Steven L. Waslander

Recent advances in neural algorithmic reasoning with graph neural networks (GNNs) are propped up by the notion of algorithmic alignment. Broadly, a neural network will be better at learning to execute a reasoning task (in terms of sample…

Machine Learning · Computer Science 2022-10-12 Andrew Dudzik , Petar Veličković

Transformers have revolutionized machine learning with their simple yet effective architecture. Pre-training Transformers on massive text datasets from the Internet has led to unmatched generalization for natural language understanding…

Numerous applications necessitate the computation of numerical solutions to differential equations across a wide range of initial conditions and system parameters, which feeds the demand for efficient yet accurate numerical integration…

Numerical Analysis · Mathematics 2025-04-09 Amine Othmane , Kathrin Flaßkamp

Neural networks have succeeded in many reasoning tasks. Empirically, these tasks require specialized network structures, e.g., Graph Neural Networks (GNNs) perform well on many such tasks, but less structured networks fail. Theoretically,…

Machine Learning · Computer Science 2020-02-18 Keyulu Xu , Jingling Li , Mozhi Zhang , Simon S. Du , Ken-ichi Kawarabayashi , Stefanie Jegelka

Recent work has seen the development of general purpose neural architectures that can be trained to perform tasks across diverse data modalities. General purpose models typically make few assumptions about the underlying data-structure and…

We compare the performance of randomized classical and quantum neural networks (NNs) as well as classical and quantum-classical hybrid convolutional neural networks (CNNs) for the task of supervised binary image classification. We keep the…

Quantum Physics · Physics 2025-11-24 Daniel Basilewitsch , João F. Bravo , Christian Tutschku , Frederick Struckmeier