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Molecular dynamics (MD) simulation predicts the trajectory of atoms by solving Newton's equation of motion with a numeric integrator. Due to physical constraints, the time step of the integrator need to be small to maintain sufficient…

计算物理 · 物理学 2021-12-22 Tianze Zheng , Weihao Gao , Chong Wang

We present a simulation-based inference framework using a convolutional neural network to infer dynamical masses of galaxy clusters from their observed 3D projected phase-space distribution, which consists of the projected galaxy positions…

宇宙学与河外天体物理 · 物理学 2020-12-18 Doogesh Kodi Ramanah , Radosław Wojtak , Nikki Arendse

We present a novel approach to tackle explainability of deep graph networks in the context of molecule property prediction tasks, named MEG (Molecular Explanation Generator). We generate informative counterfactual explanations for a…

定量方法 · 定量生物学 2020-11-11 Danilo Numeroso , Davide Bacciu

Gravitational waveform templates are a key ingredient for the detection and characterization of gravitational waves emitted by compact binary mergers in the universe. These templates must be physically accurate and extensive, but also…

广义相对论与量子宇宙学 · 物理学 2026-04-17 Christopher Whittall , Geraint Pratten

Remote sensing visual grounding (RSVG) aims to localize objects in remote sensing imagery according to natural language expressions. Previous methods typically rely on sentence-level vision-language alignment, which struggles to exploit…

计算机视觉与模式识别 · 计算机科学 2026-04-03 Ke Li , Ting Wang , Di Wang , Yongshan Zhu , Yiming Zhang , Tao Lei , Quan Wang

Among various distance functions for graphs, graph and subgraph edit distances (GED and SED respectively) are two of the most popular and expressive measures. Unfortunately, exact computations for both are NP-hard. To overcome this…

Current ground-based cosmological surveys, such as the Dark Energy Survey (DES), are predicted to discover thousands of galaxy-scale strong lenses, while future surveys, such as the Vera Rubin Observatory Legacy Survey of Space and Time…

Existing acceleration techniques for video diffusion models often rely on uniform heuristics or time-embedding variants to skip timesteps and reuse cached features. These approaches typically require extensive calibration with curated…

计算机视觉与模式识别 · 计算机科学 2025-11-06 Zehong Ma , Longhui Wei , Feng Wang , Shiliang Zhang , Qi Tian

Estimating physical properties of galaxies from wide-field surveys remains a central challenge in astrophysics. While spectroscopy provides precise measurements, it is observationally expensive, and photometry discards morphological…

天体物理仪器与方法 · 物理学 2025-12-05 Mikaeel Yunus , John F. Wu , Benne W. Holwerda

Scene Graph Generation (SGG) unifies object localization and visual relationship reasoning by predicting boxes and subject-predicate-object triples. Yet most pipelines treat SGG as a one-shot, deterministic classification problem rather…

计算机视觉与模式识别 · 计算机科学 2026-04-22 Xin Hu , Ke Qin , Wen Yin , Yuan-Fang Li , Ming Li , Tao He

The future astronomical imaging surveys are set to provide precise constraints on cosmological parameters, such as dark energy. However, production of synthetic data for these surveys, to test and validate analysis methods, suffers from a…

We describe version 2 of the SPICE dataset, a collection of quantum chemistry calculations for training machine learning potentials. It expands on the original dataset by adding much more sampling of chemical space and more data on…

化学物理 · 物理学 2024-09-17 Peter Eastman , Benjamin P. Pritchard , John D. Chodera , Thomas E. Markland

As Convolutional Neural Networks embed themselves into our everyday lives, the need for them to be interpretable increases. However, there is often a trade-off between methods that are efficient to compute but produce an explanation that is…

计算机视觉与模式识别 · 计算机科学 2019-08-27 Thomas Hartley , Kirill Sidorov , Christopher Willis , David Marshall

Artificial general intelligence on graphs has shown significant advancements across various applications, yet the traditional 'Pre-train & Fine-tune' paradigm faces inefficiencies and negative transfer issues, particularly in complex and…

机器学习 · 计算机科学 2024-06-21 Chenyi Zi , Haihong Zhao , Xiangguo Sun , Yiqing Lin , Hong Cheng , Jia Li

Broadband photometry of galaxies measures an unresolved mix of complex stellar populations, gas, and dust. Interpreting these data is a challenge for models: many studies have shown that properties derived from modeling galaxy photometry…

星系天体物理 · 物理学 2017-04-14 Joel Leja , Benjamin D. Johnson , Charlie Conroy , Pieter G. van Dokkum , Nell Byler

Galaxy systems with large magnitude gaps - defined as the difference in magnitude between the central galaxy and the brightest satellite in the central region - have been claimed to have earlier formation histories. In this study we measure…

宇宙学与河外天体物理 · 物理学 2017-12-20 André Z. Vitorelli , Eduardo S. Cypriano , Martín Makler , Maria E. S. Pereira , Thomas Erben , Bruno Moraes

We present PREMISE (PREdict with Matching ScorEs), a new architecture for the matching-based learning in the multimodal fields for the multimodal review helpfulness (MRHP) task. Distinct to previous fusion-based methods which obtains…

计算与语言 · 计算机科学 2025-05-05 Wei Han , Hui Chen , Soujanya Poria

Visual-based perception is the key module for autonomous driving. Among those visual perception tasks, video object detection is a primary yet challenging one because of feature degradation caused by fast motion or multiple poses. Current…

计算机视觉与模式识别 · 计算机科学 2024-05-30 Yiming Cui , Cheng Han , Dongfang Liu

Personalizing generative models offers a way to guide image generation with user-provided references. Current personalization methods can invert an object or concept into the textual conditioning space and compose new natural sentences for…

We present STARFORGE (STAR FORmation in Gaseous Environments): a new numerical framework for 3D radiation MHD simulations of star formation that simultaneously follow the formation, accretion, evolution, and dynamics of individual stars in…