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Molecular representation learning is fundamental for many drug related applications. Most existing molecular pre-training models are limited in using single molecular modality, either SMILES or graph representation. To effectively leverage…

Machine Learning · Computer Science 2024-11-05 Shikun Feng , Lixin Yang , Yanwen Huang , Yuyan Ni , Weiying Ma , Yanyan Lan

Real-time rendering with global illumination is crucial to afford the user realistic experience in virtual environments. We present a learning-based estimator to predict diffuse indirect illumination in screen space, which then is combined…

Graphics · Computer Science 2025-11-06 Meng Gai , Guoping Wang , Sheng Li

Embedding high-dimensional data onto a low-dimensional manifold is of both theoretical and practical value. In this paper, we propose to combine deep neural networks (DNN) with mathematics-guided embedding rules for high-dimensional data…

Machine Learning · Computer Science 2022-08-19 Zixia Zhou , Xinrui Zu , Yuanyuan Wang , Boudewijn P. F. Lelieveldt , Qian Tao

Geometric deep learning enables the encoding of physical symmetries in modeling 3D objects. Despite rapid progress in encoding 3D symmetries into Graph Neural Networks (GNNs), a comprehensive evaluation of the expressiveness of these…

Machine Learning · Computer Science 2023-04-12 Weitao Du , Yuanqi Du , Limei Wang , Dieqiao Feng , Guifeng Wang , Shuiwang Ji , Carla Gomes , Zhi-Ming Ma

Motor impairments, frequently caused by neurological incidents like strokes or traumatic brain injuries, present substantial obstacles in rehabilitation therapy. This research aims to elevate the field by optimizing motor imagery…

Machine Learning · Computer Science 2023-11-23 Soham Bafana

This work proposes a model-reduction approach for the material point method on nonlinear manifolds. Our technique approximates the $\textit{kinematics}$ by approximating the deformation map using an implicit neural representation that…

Machine Learning · Computer Science 2023-02-13 Peter Yichen Chen , Maurizio M. Chiaramonte , Eitan Grinspun , Kevin Carlberg

In this paper, we present a method for denoising and reconstruction of low-dimensional manifold in high-dimensional space. We suggest a multidimensional extension of the Locally Optimal Projection algorithm which was introduced by Lipman et…

Numerical Analysis · Mathematics 2022-11-17 Shira Faigenbaum-Golovin , David Levin

We show for the first time that a multilayer perceptron (MLP) can serve as the only scene representation in a real-time SLAM system for a handheld RGB-D camera. Our network is trained in live operation without prior data, building a dense,…

Computer Vision and Pattern Recognition · Computer Science 2021-09-14 Edgar Sucar , Shikun Liu , Joseph Ortiz , Andrew J. Davison

A fundamental task in data exploration is to extract simplified low dimensional representations that capture intrinsic geometry in data, especially for faithfully visualizing data in two or three dimensions. Common approaches to this task…

Machine Learning · Statistics 2021-07-30 Andrés F. Duque , Sacha Morin , Guy Wolf , Kevin R. Moon

Neighbor embedding is widely employed to visualize high-dimensional data; however, it frequently overlooks the global structure, e.g., intercluster similarities, thereby impeding accurate visualization. To address this problem, this paper…

Machine Learning · Computer Science 2025-02-07 Koshi Watanabe , Keisuke Maeda , Takahiro Ogawa , Miki Haseyama

Globally localizing a mobile robot in a known map is often a foundation for enabling robots to navigate and operate autonomously. In indoor environments, traditional Monte Carlo localization based on occupancy grid maps is considered the…

Robotics · Computer Science 2025-04-01 Haofei Kuang , Yue Pan , Xingguang Zhong , Louis Wiesmann , Jens Behley , Cyrill Stachniss

Open-vocabulary panoptic reconstruction is essential for advanced robotics perception and simulation. However, existing methods based on 3D Gaussian Splatting (3DGS) often struggle to simultaneously achieve geometric accuracy, coherent…

Robotics · Computer Science 2026-04-14 Xuan Yu , Yuxuan Xie , Changjian Jiang , Shichao Zhai , Rong Xiong , Yu Zhang , Yue Wang

Modern machine learning systems based on neural networks have shown great success in learning complex data patterns while being able to make good predictions on unseen data points. However, the limited interpretability of these systems…

Machine Learning · Computer Science 2020-07-22 Sarath Shekkizhar , Antonio Ortega

Geodesic distance serves as a reliable means of measuring distance in nonlinear spaces, and such nonlinear manifolds are prevalent in the current multimodal learning. In these scenarios, some samples may exhibit high similarity, yet they…

Computer Vision and Pattern Recognition · Computer Science 2025-05-19 Shibin Mei , Hang Wang , Bingbing Ni

Manifold Learning occupies a vital role in the field of nonlinear dimensionality reduction and its ideas also serve for other relevant methods. Graph-based methods such as Graph Convolutional Networks (GCN) show ideas in common with…

Machine Learning · Computer Science 2020-06-30 Shenglan Liu , Yang Yu

Different unsupervised models for dimensionality reduction like PCA, LLE, Shannon's mapping, tSNE, UMAP, etc. work on different principles, hence, they are difficult to compare on the same ground. Although they are usually good for…

Methodology · Statistics 2024-05-10 Subhrajyoty Roy

For many machine learning tasks, the input data lie on a low-dimensional manifold embedded in a high dimensional space and, because of this high-dimensional structure, most algorithms are inefficient. The typical solution is to reduce the…

Machine Learning · Computer Science 2019-03-05 Anna C. Gilbert , Rishi Sonthalia

This paper investigates the challenge of learning image manifolds, specifically pose manifolds, of 3D objects using limited training data. It proposes a DNN approach to manifold learning and for predicting images of objects for novel,…

Computer Vision and Pattern Recognition · Computer Science 2023-05-19 Shenyuan Liang , Pavan Turaga , Anuj Srivastava

The inductive bias of a graph neural network (GNN) is largely encoded in its specified graph. Latent graph inference relies on latent geometric representations to dynamically rewire or infer a GNN's graph to maximize the GNN's predictive…

Machine Learning · Computer Science 2025-03-11 Haitz Sáez de Ocáriz Borde , Anastasis Kratsios

We present a novel view of nonlinear manifold learning using derivative-free optimization techniques. Specifically, we propose an extension of the classical multi-dimensional scaling (MDS) method, where instead of performing gradient…