Kaski, Samuel
135 publications
AISTATS
2025
What Ails Generative Structure-Based Drug Design: Expressivity Is Too Little or Too Much?
NeurIPS
2024
Preference Learning of Latent Decision Utilities with a Human-like Model of Preferential Choice
NeurIPSW
2023
Leveraging Expert Feedback to Align Proxy and Ground Truth Rewards in Goal-Oriented Molecular Generation
ICML
2023
Optimally-Weighted Estimators of the Maximum Mean Discrepancy for Likelihood-Free Inference
NeurIPSW
2022
HAPNEST: An Efficient Tool for Generating Large-Scale Genetics Datasets from Limited Training Data
NeurIPSW
2022
More Trustworthy Bayesian Optimization of Materials Properties by Adding Human into the Loop
MLJ
2017
Knowledge Elicitation via Sequential Probabilistic Inference for High-Dimensional Prediction