Generating unique molecules with biochemically desired properties to serve as viable drug candidates is a difficult task that requires specialized domain expertise. In recent years, diffusion models have shown promising results in accelerating the drug design process through AI-driven molecular generation. However, training these models requires massive amounts of data, which are often isolated in proprietary silos. OpenFL is a federated learning framework that enables privacy-preserving collaborative training across these decentralized data sites. In this work, we present a federated discrete denoising diffusion model that was trained using OpenFL. The federated model achieves comparable performance with a model trained on centralized data when evaluating the uniqueness and validity of the generated molecules. This demonstrates the utility of federated learning in the drug design process. OpenFL is available at: https://github.com/securefederatedai/openfl

We introduce a novel Proximal Policy Optimization (PPO) algorithm aimed at addressing the challenge of maintaining a uniform proton beam intensity delivery in the Muon to Electron Conversion Experiment (Mu2e) at Fermi National Accelerator Laboratory (Fermilab). Our primary objective is to regulate the spill process to ensure a consistent intensity profile, with the ultimate goal of creating an automated controller capable of providing real-time feedback and calibration of the Spill Regulation System (SRS) parameters on a millisecond timescale. We treat the Mu2e accelerator system as a Markov Decision Process suitable for Reinforcement Learning (RL), utilizing PPO to reduce bias and enhance training stability. A key innovation in our approach is the integration of a neuralized Proportional-Integral-Derivative (PID) controller into the policy function, resulting in a significant improvement in the Spill Duty Factor (SDF) by 13.6%, surpassing the performance of the current PID controller baseline by an additional 1.6%. This paper presents the preliminary offline results based on a differentiable simulator of the Mu2e accelerator. It paves the groundwork for real-time implementations and applications, representing a crucial step towards automated proton beam intensity control for the Mu2e experiment.