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We present a novel graph Transformer generative adversarial network (GTGAN) to learn effective graph node relations in an end-to-end fashion for challenging graph-constrained architectural layout generation tasks. The proposed…

Computer Vision and Pattern Recognition · Computer Science 2024-01-17 Hao Tang , Ling Shao , Nicu Sebe , Luc Van Gool

Graph Neural Networks (GNN) can capture the geometric properties of neural representations in EEG data. Here we utilise those to study how reinforcement-based motor learning affects neural activity patterns during motor planning, leveraging…

Machine Learning · Computer Science 2024-11-01 Federico Nardi , Jinpei Han , Shlomi Haar , A. Aldo Faisal

This paper builds upon our previous work on the Reconciled Polynomial Network (RPN). The original RPN model was designed under the assumption of input data independence, presuming the independence among both individual instances within data…

Machine Learning · Computer Science 2024-11-19 Jiawei Zhang

Supervised super-resolution deep convolutional neural networks (CNNs) have gained significant attention for their potential in reconstructing velocity and scalar fields in turbulent flows. Despite their popularity, CNNs currently lack the…

Recurrent neural networks have gained widespread use in modeling sequential data. Learning long-term dependencies using these models remains difficult though, due to exploding or vanishing gradients. In this paper, we draw connections…

Machine Learning · Statistics 2019-02-27 Bo Chang , Minmin Chen , Eldad Haber , Ed H. Chi

Nowadays the development of new functional materials/chemical compounds using machine learning (ML) techniques is a hot topic and includes several crucial steps, one of which is the choice of chemical structure representation. Classical…

Computational Physics · Physics 2020-06-11 Vadim Korolev , Artem Mitrofanov , Alexandru Korotcov , Valery Tkachenko

Pre-trained models have been successful in many protein engineering tasks. Most notably, sequence-based models have achieved state-of-the-art performance on protein fitness prediction while structure-based models have been used…

Machine Learning · Computer Science 2023-07-25 Antonia Boca , Simon Mathis

Machine learning (ML) is revolutionizing protein structural analysis, including an important subproblem of predicting protein residue contact maps, i.e., which amino-acid residues are in close spatial proximity given the amino-acid sequence…

Quantitative Methods · Quantitative Biology 2022-12-23 Kuang Liu , Rajiv K. Kalia , Xinlian Liu , Aiichiro Nakano , Ken-ichi Nomura , Priya Vashishta , Rafael Zamora-Resendizc

Task-based modeling with recurrent neural networks (RNNs) has emerged as a popular way to infer the computational function of different brain regions. These models are quantitatively assessed by comparing the low-dimensional neural…

Neurons and Cognition · Quantitative Biology 2019-12-06 Niru Maheswaranathan , Alex H. Williams , Matthew D. Golub , Surya Ganguli , David Sussillo

We analyze the performance of graph neural network (GNN) architectures from the perspective of random graph theory. Our approach promises to complement existing lenses on GNN analysis, such as combinatorial expressive power and worst-case…

Machine Learning · Computer Science 2023-10-12 Drake Brown , Trevor Garrity , Kaden Parker , Jason Oliphant , Stone Carson , Cole Hanson , Zachary Boyd

Recent image restoration methods can be broadly categorized into two classes: (1) regression methods that recover the rough structure of the original image without synthesizing high-frequency details and (2) generative methods that…

Computer Vision and Pattern Recognition · Computer Science 2024-01-02 Hwayoon Lee , Kyoungkook Kang , Hyeongmin Lee , Seung-Hwan Baek , Sunghyun Cho

Recurrent Neural Networks (RNNs) are designed to handle sequential data but suffer from vanishing or exploding gradients. Recent work on Unitary Recurrent Neural Networks (uRNNs) have been used to address this issue and in some cases,…

Machine Learning · Statistics 2018-06-20 Kyle Helfrich , Devin Willmott , Qiang Ye

Inferring transient molecular structural dynamics from diffraction data is an ambiguous task that often requires different approximation methods. In this paper we present an attempt to tackle this problem using machine learning. While most…

Chemical Physics · Physics 2023-08-09 Hazem Daoud , Dhruv Sirohi , Endri Mjeku , John Feng , Saeed Oghbaey , R. J. Dwayne Miller

Nonlinear finite element crash simulations are accurate but computationally expensive, limiting their use in iterative design optimisation. Machine-learning surrogate models based on graph neural networks (GNNs) offer a faster alternative.…

Machine Learning · Computer Science 2026-05-18 Haoran Li , Tobias Lehrer , Yingxue Zhao , Haosu Zhou , Philipp Stocker , Tobias Pfaff , Nan Li

Graph and hypergraph representation learning has attracted increasing attention from various research fields. Despite the decent performance and fruitful applications of Graph Neural Networks (GNNs), Hypergraph Neural Networks (HGNNs), and…

Machine Learning · Computer Science 2023-11-15 Minhao Zou , Zhongxue Gan , Yutong Wang , Junheng Zhang , Dongyan Sui , Chun Guan , Siyang Leng

Modifications to a neural network's input and output layers are often required to accommodate the specificities of most practical learning tasks. However, the impact of such changes on architecture's approximation capabilities is largely…

Machine Learning · Computer Science 2020-11-10 Anastasis Kratsios , Eugene Bilokopytov

Accurate modeling of Short Fiber Reinforced Composites (SFRCs) remains computationally expensive for full-field simulations. Data-driven surrogate models using Artificial Neural Networks (ANNs) have been proposed as an efficient alternative…

Computational Physics · Physics 2026-03-03 Petter Uvdal , Mohsen Mirkhalaf

The design of recurrent neural networks (RNNs) to accurately process sequential inputs with long-time dependencies is very challenging on account of the exploding and vanishing gradient problem. To overcome this, we propose a novel RNN…

Machine Learning · Computer Science 2021-08-19 T. Konstantin Rusch , Siddhartha Mishra

We address the problem of finding realistic geometric corrections to a foreground object such that it appears natural when composited into a background image. To achieve this, we propose a novel Generative Adversarial Network (GAN)…

Computer Vision and Pattern Recognition · Computer Science 2018-03-06 Chen-Hsuan Lin , Ersin Yumer , Oliver Wang , Eli Shechtman , Simon Lucey

This paper introduces Graph Convolutional Recurrent Network (GCRN), a deep learning model able to predict structured sequences of data. Precisely, GCRN is a generalization of classical recurrent neural networks (RNN) to data structured by…

Machine Learning · Statistics 2016-12-23 Youngjoo Seo , Michaël Defferrard , Pierre Vandergheynst , Xavier Bresson