2 papers
physics.chem-ph2024
Enhancing Accuracy and Feature Insights in Hydration Free Energy Predictions for Small Molecules with Machine Learning
Mingjun Han, Yukai Zhang, Taotao Yu +3
The accurate prediction of solvation free energy is of significant importance as it governs the behavior of solutes in solution. In this work, we apply a variety of machine learnin…
cs.LG2024
Enhancing Counterfactual Image Generation Using Mahalanobis Distance with Distribution Preferences in Feature Space
Yukai Zhang, Ao Xu, Zihao Li +1
In the realm of Artificial Intelligence (AI), the importance of Explainable Artificial Intelligence (XAI) is increasingly recognized, particularly as AI models become more integral…