The industrial multi-generator Wave Energy Converters (WEC) must handle multiple simultaneous waves coming from different directions called spread waves. These complex devices in challenging circumstances need controllers with multiple objectives of energy capture efficiency, reduction of structural stress to limit maintenance, and proactive protection against high waves. The Multi-Agent Reinforcement Learning (MARL) controller trained with Proximal Policy Optimization (PPO) algorithm can handle these complexities. In this paper, we explore different function approximations for the policy and critic networks in modeling the sequential nature of the system dynamics and find that they are key to better performance. We investigated the performance of a fully connected neural network (FCN), LSTM, and Transformer model variants with varying depths and gated residual connections. Our results show that the transformer model of moderate depth with gated residual connections around the multi-head attention, multi-layer perceptron, and the transformer block (STrXL) proposed in this paper is optimal and boosts energy efficiency by an average of 22.1% for these complex spread waves over the existing spring damper (SD) controller. Furthermore, unlike the default SD controller, the transformer controller almost eliminated the mechanical stress from the rotational yaw motion for angled waves. Demo: https://tinyurl.com/yueda3jh

High-energy collisions at the Large Hadron Collider (LHC) provide valuable insights into open questions in particle physics. However, detector effects must be corrected before measurements can be compared to certain theoretical predictions or measurements from other detectors. Methods to solve this inverse problem of mapping detector observations to theoretical quantities of the underlying collision are essential parts of many physics analyses at the LHC. We investigate and compare various generative deep learning methods to approximate this inverse mapping. We introduce a novel unified architecture, termed latent variational diffusion models, which combines the latent learning of cutting-edge generative art approaches with an end-to-end variational framework. We demonstrate the effectiveness of this approach for reconstructing global distributions of theoretical kinematic quantities, as well as for ensuring the adherence of the learned posterior distributions to known physics constraints. Our unified approach achieves a distribution-free distance to the truth of over 20 times smaller than non-latent state-of-the-art baseline and 3 times smaller than traditional latent diffusion models.

Deep learning-based reaction predictors have undergone significant architectural evolution. However, their reliance on reactions from the US Patent Office results in a lack of interpretable predictions and limited generalizability to other chemistry domains, such as radical and atmospheric chemistry. To address these challenges, we introduce a new reaction predictor system, RMechRP, that leverages contrastive learning in conjunction with mechanistic pathways, the most interpretable representation of chemical reactions. Specifically designed for radical reactions, RMechRP provides different levels of interpretation of chemical reactions. We develop and train multiple deep-learning models using RMechDB, a public database of radical reactions, to establish the first benchmark for predicting radical reactions. Our results demonstrate the effectiveness of RMechRP in providing accurate and interpretable predictions of radical reactions, and its potential for various applications in atmospheric chemistry.

Waves in the oceans are one of the most significant renewable energy sources and are an excellent resource to tackle climate challenges through decarbonizing energy generation. Lowering the Levelized Cost of Energy (LCOE) for energy generation from ocean waves is critical for competitiveness with other forms of clean energy like wind and solar. It requires complex controllers to maximize efficiency for state-of-the-art multi-generator industrial Wave Energy Converters (WEC), which optimizes the reactive forces of the generators on multiple legs of WEC. This paper introduces Multi-Agent Reinforcement Learning controller (MARL) architectures that can handle these various objectives for LCOE. MARL can help increase energy capture efficiency to boost revenue, reduce structural stress to limit maintenance cost, and adaptively and proactively protect the wave energy converter from catastrophic weather events preserving investments and lowering effective capital cost. These architectures include 2-agent and 3-agent MARL implementing proximal policy optimization (PPO) with various optimizations to help sustain the training convergence in the complex hyperplane without falling off the cliff. Also, the design for trust assures the operation of WEC within a safe zone of mechanical compliance. As a part of this design, reward shaping for multiple objectives of energy capture and penalty for harmful motions minimizes stress and lowers the cost of maintenance. We achieved double-digit gains in energy capture efficiency across the waves of different principal frequencies over the baseline Spring Damper controller with the proposed MARL controllers.

Likely drug candidates which are identified in traditional pre-clinical drug screens often fail in patient trials, increasing the societal burden of drug discovery. A major contributing factor to this phenomenon is the failure of traditional in vitro models of drug response to accurately mimic many of the more complex properties of human biology. We have recently introduced a new microphysiological system for growing vascularized, perfused microtissues that more accurately models human physiology and is suitable for large drug screens. In this work, we develop a machine learning model that can quickly and accurately flag compounds which effectively disrupt vascular networks from images taken before and after drug application in vitro. The system is based on a convolutional neural network and achieves near perfect accuracy while committing potentially no expensive false negatives.