34 citations · 111 across the 7 of their papers we have counts for
7 papers
FutureWorld: A Live Reinforcement Learning Environment for Predictive Agents with Real-World Outcome Rewards
Zhixin Han, Yanzhi Zhang, Chuyang Wei +11
Live future prediction refers to the task of making predictions about real-world events before they unfold. This task is increasingly studied using large language model-based agent…
DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies
Shuaiwen Leon Song, Bonnie Kruft, Minjia Zhang +89
In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences. This could herald a new era of scient…
Towards Predicting Equilibrium Distributions for Molecular Systems with Deep Learning
Shuxin Zheng, Jiyan He, Chang Liu +15
Advances in deep learning have greatly improved structure prediction of molecules. However, many macroscopic observations that are important for real-world applications are not fun…
From Static to Dynamic Structures: Improving Binding Affinity Prediction with Graph-Based Deep Learning
Yaosen Min, Ye Wei, Peizhuo Wang +10
Accurate prediction of protein-ligand binding affinities is an essential challenge in structure-based drug design. Despite recent advances in data-driven methods for affinity predi…
Quantized Training of Gradient Boosting Decision Trees
Yu Shi, Guolin Ke, Zhuoming Chen +2
Recent years have witnessed significant success in Gradient Boosting Decision Trees (GBDT) for a wide range of machine learning applications. Generally, a consensus about GBDT's tr…
An Empirical Study of Graphormer on Large-Scale Molecular Modeling Datasets
Yu Shi, Shuxin Zheng, Guolin Ke +7
This technical note describes the recent updates of Graphormer, including architecture design modifications, and the adaption to 3D molecular dynamics simulation. The "Graphormer-V…
Benchmarking Graphormer on Large-Scale Molecular Modeling Datasets
Yu Shi, Shuxin Zheng, Guolin Ke +7
This technical note describes the recent updates of Graphormer, including architecture design modifications, and the adaption to 3D molecular dynamics simulation. With these simple…