Europe
Sample-efficient Multi-objective Molecular Optimization with GFlowNets
In practice, multiple conflicting objectives and costly evaluations (e.g., wet-lab experiments) make the diversity of candidates
On the Robustness of Removal-Based Feature Attributions Chris Lin
In recent years, machine learning has shown great promise in a variety of real-world applications.
Cross-links Matter for Link Prediction: Rethinking the Debiased GNN from a Data Perspective Zihan Luo
GNNs to mitigate the bias as well as boost their utility in an end-to-end manner.
Generating Origin-Destination Matrices in Neural Spatial Interaction Models
Agent-based models (ABMs) are proliferating as decision-making tools across policy areas in transportation, economics, and epidemiology.
Stochastic Optimal Control for Collective Variable Free Sampling of Molecular Transition Paths Lars Holdijk University of Oxford Y uanqi Du
We show that our method successful generates low energy transitions for Alanine Dipeptide as well as the larger Polyproline and Chignolin proteins.
On Robust Streaming for Learning with Experts: Algorithms and Lower Bounds
David P. Woodruff, CMU, dwoodruf@cs.cmu.edu "3026 Fred Zhang, UC Berkeley, z0@berkeley.edu "3026 Samson Zhou, Texas A&M University, samsonzhou@gmail.com
In this paper, we study robust algorithms for the experts problem under memory constraints.