515 citations · 755 across the 20 of their papers we have counts for
6 papers · 1 filter
Video Timeline Modeling For News Story Understanding
Meng Liu, Mingda Zhang, Jialu Liu +5
In this paper, we present a novel problem, namely video timeline modeling. Our objective is to create a video-associated timeline from a set of videos related to a specific topic,…
Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
Xuan Zhang, Limei Wang, Jacob Helwig +60
Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating…
Graph Mixup with Soft Alignments
Hongyi Ling, Zhimeng Jiang, Meng Liu +2
We study graph data augmentation by mixup, which has been used successfully on images. A key operation of mixup is to compute a convex combination of a pair of inputs. This operati…
QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules
Haiyang Yu, Meng Liu, Youzhi Luo +4
Supervised machine learning approaches have been increasingly used in accelerating electronic structure prediction as surrogates of first-principle computational methods, such as d…
Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization
Shurui Gui, Meng Liu, Xiner Li +2
We tackle the problem of graph out-of-distribution (OOD) generalization. Existing graph OOD algorithms either rely on restricted assumptions or fail to exploit environment informat…
3D Molecular Geometry Analysis with 2D Graphs
Zhao Xu, Yaochen Xie, Youzhi Luo +7
Ground-state 3D geometries of molecules are essential for many molecular analysis tasks. Modern quantum mechanical methods can compute accurate 3D geometries but are computationall…