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Invariance and equivariance to the rotation group have been widely discussed in the 3D deep learning community for pointclouds. Yet most proposed methods either use complex mathematical tools that may limit their accessibility, or are tied…

Computer Vision and Pattern Recognition · Computer Science 2021-04-27 Congyue Deng , Or Litany , Yueqi Duan , Adrien Poulenard , Andrea Tagliasacchi , Leonidas Guibas

Many scientific problems require to process data in the form of geometric graphs. Unlike generic graph data, geometric graphs exhibit symmetries of translations, rotations, and/or reflections. Researchers have leveraged such inductive bias…

Machine Learning · Computer Science 2022-02-23 Jiaqi Han , Yu Rong , Tingyang Xu , Wenbing Huang

Zero padding is often used in convolutional neural networks to prevent the feature map size from decreasing with each layer. However, recent studies have shown that zero padding promotes encoding of absolute positional information, which…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Kensuke Mukai , Takao Yamanaka

In scientific and engineering applications, solving partial differential equations (PDEs) across various parameters and domains normally relies on resource-intensive numerical methods. Neural operators based on deep learning offered a…

Numerical Analysis · Mathematics 2024-06-21 Zhiwei Zhao , Changqing Liu , Yingguang Li , Zhibin Chen , Xu Liu

Designing universal artificial intelligence (AI) solver for partial differential equations (PDEs) is an open-ended problem and a significant challenge in science and engineering. Currently, data-driven solvers have achieved great success,…

Machine Learning · Computer Science 2025-02-24 Qinglong Ma , Peizhi Zhao , Sen Wang , Tao Song

Drug discovery using deep learning has attracted a lot of attention of late as it has obvious advantages like higher efficiency, less manual guessing and faster process time. In this paper, we present a novel neural network for generating…

Biomolecules · Quantitative Biology 2021-10-08 Abhinav Sagar

We present a novel algorithmic approach and an error analysis leveraging Quasi-Monte Carlo points for training deep neural network (DNN) surrogates of Data-to-Observable (DtO) maps in engineering design. Our analysis reveals higher-order…

Numerical Analysis · Mathematics 2020-09-08 M. Longo , S. Mishra , T. K. Rusch , Ch. Schwab

We explore the role of torsion in hybrid deep learning models that incorporate topological data analysis, focusing on autoencoders. While most TDA tools use field coefficients, this conceals torsional features present in integer homology.…

Algebraic Topology · Mathematics 2025-09-22 Maria Walch

Research into deep learning models for molecular property prediction has primarily focused on the development of better Graph Neural Network (GNN) architectures. Though new GNN variants continue to improve performance, their modifications…

Quantitative Methods · Quantitative Biology 2021-11-23 Toni Sagayaraj , Carsten Eickhoff

This work proves that semantic segmentation on minimally invasive surgical instruments can be improved by using training data that has been augmented through domain adaptation. The benefit of this method is twofold. Firstly, it suppresses…

Computer Vision and Pattern Recognition · Computer Science 2020-06-08 Iñigo Azqueta-Gavaldon , Florian Fröhlich , Klaus Strobl , Rudolph Triebel

Metanetworks are neural architectures designed to operate directly on pretrained weights to perform downstream tasks. However, the parameter space serves only as a proxy for the underlying function class, and the parameter-function mapping…

Machine Learning · Computer Science 2026-04-28 Viet-Hoang Tran , An Nguyen , Benoît Guérand , Thieu N. Vo , Tan M. Nguyen

We present a PDE-based framework that generalizes Group equivariant Convolutional Neural Networks (G-CNNs). In this framework, a network layer is seen as a set of PDE-solvers where geometrically meaningful PDE-coefficients become the…

Machine Learning · Computer Science 2022-08-24 Bart Smets , Jim Portegies , Erik Bekkers , Remco Duits

We propose a new class of physics-informed neural networks, called Physics-Informed Generator-Encoder Adversarial Networks, to effectively address the challenges posed by forward, inverse, and mixed problems in stochastic differential…

Machine Learning · Computer Science 2023-11-06 Ruisong Gao , Min Yang , Jin Zhang

Training deep networks with limited labeled data while achieving a strong generalization ability is key in the quest to reduce human annotation efforts. This is the goal of semi-supervised learning, which exploits more widely available…

Computer Vision and Pattern Recognition · Computer Science 2021-04-14 Daiqing Li , Junlin Yang , Karsten Kreis , Antonio Torralba , Sanja Fidler

We propose a cross-domain latent modulation mechanism within a variational autoencoders (VAE) framework to enable improved transfer learning. Our key idea is to procure deep representations from one data domain and use it as perturbation to…

Machine Learning · Computer Science 2020-12-23 Jinyong Hou , Jeremiah D. Deng , Stephen Cranefield , Xuejie Ding

Adaptable models could greatly benefit robotic agents operating in the real world, allowing them to deal with novel and varying conditions. While approaches such as Bayesian inference are well-studied frameworks for adapting models to…

Machine Learning · Computer Science 2023-10-20 Orr Krupnik , Elisei Shafer , Tom Jurgenson , Aviv Tamar

Modern generative models are usually designed to match target distributions directly in the data space, where the intrinsic dimension of data can be much lower than the ambient dimension. We argue that this discrepancy may contribute to the…

Machine Learning · Computer Science 2020-07-02 Zijun Zhang , Ruixiang Zhang , Zongpeng Li , Yoshua Bengio , Liam Paull

We present a novel family of deep neural architectures, named partially exchangeable networks (PENs) that leverage probabilistic symmetries. By design, PENs are invariant to block-switch transformations, which characterize the partial…

Machine Learning · Statistics 2019-07-25 Samuel Wiqvist , Pierre-Alexandre Mattei , Umberto Picchini , Jes Frellsen

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

Deep hedging uses recurrent neural networks to hedge financial products that cannot be fully hedged in incomplete markets. Previous work in this area focuses on minimizing some measure of quadratic hedging error by calculating pathwise…

Mathematical Finance · Quantitative Finance 2025-10-21 Alok Das , Kiseop Lee
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