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Molecular representation learning has attracted much attention recently. A molecule can be viewed as a 2D graph with nodes/atoms connected by edges/bonds, and can also be represented by a 3D conformation with 3-dimensional coordinates of…

Machine Learning · Computer Science 2022-07-20 Jinhua Zhu , Yingce Xia , Lijun Wu , Shufang Xie , Tao Qin , Wengang Zhou , Houqiang Li , Tie-Yan Liu

Autonomous driving in high-speed racing, as opposed to urban environments, presents significant challenges in scene understanding due to rapid changes in the track environment. Traditional sequential network approaches may struggle to meet…

Computer Vision and Pattern Recognition · Computer Science 2025-05-06 Suwesh Prasad Sah

Encoding 3D points is one of the primary steps in learning-based implicit scene representation. Using features that gather information from neighbors with multi-resolution grids has proven to be the best geometric encoder for this task.…

Computer Vision and Pattern Recognition · Computer Science 2024-02-13 Arihant Gaur , G. Dias Pais , Pedro Miraldo

Learning 3D representations that generalize well to arbitrarily oriented inputs is a challenge of practical importance in applications varying from computer vision to physics and chemistry. We propose a novel multi-resolution convolutional…

Machine Learning · Computer Science 2021-03-22 James Fox , Bo Zhao , Sivasankaran Rajamanickam , Rampi Ramprasad , Le Song

While deep learning methods have achieved impressive success in many vision benchmarks, it remains difficult to understand and explain the representations and decisions of these models. Though vision models are typically trained on 2D…

Computer Vision and Pattern Recognition · Computer Science 2026-02-24 Benjamin Beilharz , Thomas S. A. Wallis

We propose a novel approach to self-supervised learning of point cloud representations by differentiable neural rendering. Motivated by the fact that informative point cloud features should be able to encode rich geometry and appearance…

Computer Vision and Pattern Recognition · Computer Science 2023-10-27 Di Huang , Sida Peng , Tong He , Honghui Yang , Xiaowei Zhou , Wanli Ouyang

We examine the optical properties of a system of nano and micro particles of varying size, shape, and material (including metals and dielectrics, and sub-wavelength and super-wavelength regimes). Training data is generated by numerically…

Point cloud segmentation (PCS) is to classify each point in point clouds. The task enables robots to parse their 3D surroundings and run autonomously. According to different point cloud representations, existing PCS models can be roughly…

Computer Vision and Pattern Recognition · Computer Science 2025-02-19 Bike Chen , Antti Tikanmäki , Juha Röning

We introduce the neural network architecture SPENDER as a core differentiable building block for analyzing, representing, and creating galaxy spectra. It combines a convolutional encoder, which pays attention to up to 256 spectral features…

Instrumentation and Methods for Astrophysics · Physics 2023-08-02 Peter Melchior , Yan Liang , ChangHoon Hahn , Andy Goulding

Pulmonary nodule detection plays an important role in lung cancer screening with low-dose computed tomography (CT) scans. It remains challenging to build nodule detection deep learning models with good generalization performance due to…

Computer Vision and Pattern Recognition · Computer Science 2020-02-10 Yuemeng Li , Yong Fan

Materials with bespoke properties have long been identified by computational searches, and their experimental realisation is now coming within reach through autonomous laboratories. Scattering experiments are central to verifying the atomic…

Gradient-based algorithms are crucial to modern computer-vision and graphics applications, enabling learning-based optimization and inverse problems. For example, photorealistic differentiable rendering pipelines for color images have been…

Computer Vision and Pattern Recognition · Computer Science 2021-08-10 Benjamin Planche , Rajat Vikram Singh

Feature learning for 3D object detection from point clouds is very challenging due to the irregularity of 3D point cloud data. In this paper, we propose Pointformer, a Transformer backbone designed for 3D point clouds to learn features…

Computer Vision and Pattern Recognition · Computer Science 2021-06-23 Xuran Pan , Zhuofan Xia , Shiji Song , Li Erran Li , Gao Huang

SuperFGD, a highly granular scintillator detector, is under construction to reduce systematic uncertainties in the T2K experiment in order to improve the sensitivity to CP-violation in neutrino oscillations. SuperFGD will be comprised of…

In this paper, we propose UniGS, a unified map representation and differentiable framework for high-fidelity multimodal 3D reconstruction based on 3D Gaussian Splatting. Our framework integrates a CUDA-accelerated rasterization pipeline…

Computer Vision and Pattern Recognition · Computer Science 2025-11-14 Yusen Xie , Zhenmin Huang , Jianhao Jiao , Dimitrios Kanoulas , Jun Ma

In this work we introduce an Autoencoder for molecular conformations. Our proposed model converts the discrete spatial arrangements of atoms in a given molecular graph (conformation) into and from a continuous fixed-sized latent…

Machine Learning · Computer Science 2021-01-06 Robin Winter , Frank Noé , Djork-Arné Clevert

Scientists, engineers, biologists, and technology specialists universally leverage image segmentation to extract shape ensembles containing many thousands of curves representing patterns in observations and measurements. These large curve…

Computer Vision and Pattern Recognition · Computer Science 2026-01-09 Zachary Grey , Nicholas Fisher , Andrew Glaws

Efficient and accurate algorithms are necessary to reconstruct particles in the highly granular detectors anticipated at the High-Luminosity Large Hadron Collider and the Future Circular Collider. We study scalable machine learning models…

Data Analysis, Statistics and Probability · Physics 2024-07-17 Joosep Pata , Eric Wulff , Farouk Mokhtar , David Southwick , Mengke Zhang , Maria Girone , Javier Duarte

The physical properties of molecular clouds are often measured using spectral-line observations, which provide the only probes of the clouds' velocity structure. It is hard, though, to assess whether and to what extent intensity features in…

Astrophysics of Galaxies · Physics 2015-06-17 Christopher N. Beaumont , Stella S. R. Offner , Rahul Shetty , Simon C. O. Glover , Alyssa A. Goodman

A simple model of the nucleus of M31 based on {\it HST} images and ground based spectroscopy is used to investigate the properties of the double nucleus in M31. The model reproduces the general properties observed in the nucleus of M31. In…

Astrophysics · Physics 2007-05-23 Philippe Crane
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