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5 papers · 2 filters
Group SELFIES: A Robust Fragment-Based Molecular String Representation
Austin Cheng, Andy Cai, Santiago Miret +3
We introduce Group SELFIES, a molecular string representation that leverages group tokens to represent functional groups or entire substructures while maintaining chemical robustne…
PhAST: Physics-Aware, Scalable, and Task-specific GNNs for Accelerated Catalyst Design
Alexandre Duval, Victor Schmidt, Santiago Miret +3
Mitigating the climate crisis requires a rapid transition towards lower-carbon energy. Catalyst materials play a crucial role in the electrochemical reactions involved in numerous…
State-Augmented Learnable Algorithms for Resource Management in Wireless Networks
Navid NaderiAlizadeh, Mark Eisen, Alejandro Ribeiro
We consider resource management problems in multi-user wireless networks, which can be cast as optimizing a network-wide utility function, subject to constraints on the long-term a…
Federated Learning Enables Big Data for Rare Cancer Boundary Detection
Sarthak Pati, Ujjwal Baid, Brandon Edwards +276
Although machine learning (ML) has shown promise in numerous domains, there are concerns about generalizability to out-of-sample data. This is currently addressed by centrally shar…
PROMPT: Learning Dynamic Resource Allocation Policies for Network Applications
Drew Penney, Bin Li, Jaroslaw Sydir +5
A growing number of service providers are exploring methods to improve server utilization and reduce power consumption by co-scheduling high-priority latency-critical workloads wit…