616 citations · 795 across the 9 of their papers we have counts for
9 papers
GEM-2: Next Generation Molecular Property Prediction Network by Modeling Full-range Many-body Interactions
Lihang Liu, Donglong He, Xiaomin Fang +4
Molecular property prediction is a fundamental task in the drug and material industries. Physically, the properties of a molecule are determined by its own electronic structure, wh…
HelixFold-Single: MSA-free Protein Structure Prediction by Using Protein Language Model as an Alternative
Xiaomin Fang, Fan Wang, Lihang Liu +7
AI-based protein structure prediction pipelines, such as AlphaFold2, have achieved near-experimental accuracy. These advanced pipelines mainly rely on Multiple Sequence Alignments…
HelixADMET: a robust and endpoint extensible ADMET system incorporating self-supervised knowledge transfer
Shanzhuo Zhang, Zhiyuan Yan, Yueyang Huang +8
Accurate ADMET (an abbreviation for "absorption, distribution, metabolism, excretion, and toxicity") predictions can efficiently screen out undesirable drug candidates in the early…
On the Cantor set and the Cantor-Lebesgue functions
Lihang Liu, Wilfredo O. Urbina
The ternary Cantor set , constructed by George Cantor in 1883, is the best known example of a perfect nowhere-dense set in the real line. The present article we study…
LiteGEM: Lite Geometry Enhanced Molecular Representation Learning for Quantum Property Prediction
Shanzhuo Zhang, Lihang Liu, Sheng Gao +6
In this report, we (SuperHelix team) present our solution to KDD Cup 2021-PCQM4M-LSC, a large-scale quantum chemistry dataset on predicting HOMO-LUMO gap of molecules. Our solution…
ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction
Xiaomin Fang, Lihang Liu, Jieqiong Lei +6
Effective molecular representation learning is of great importance to facilitate molecular property prediction, which is a fundamental task for the drug and material industry. Rece…
MBCAL: Sample Efficient and Variance Reduced Reinforcement Learning for Recommender Systems
Fan Wang, Xiaomin Fang, Lihang Liu +2
In recommender systems such as news feed stream, it is essential to optimize the long-term utilities in the continuous user-system interaction processes. Previous works have proved…
Sequential Evaluation and Generation Framework for Combinatorial Recommender System
Fan Wang, Xiaomin Fang, Lihang Liu +5
In the combinatorial recommender systems, multiple items are fed to the user at one time in the result page, where the correlations among the items have impact on the user behavior…
Unsupervised Deep Domain Adaptation for Pedestrian Detection
Lihang Liu, Weiyao Lin, Lisheng Wu +2
This paper addresses the problem of unsupervised domain adaptation on the task of pedestrian detection in crowded scenes. First, we utilize an iterative algorithm to iteratively se…