This paper introduces Diffusion-BBO, a new online black-box optimization (BBO) framework that uses a conditional diffusion model as an inverse surrogate model. The framework employs an Uncertainty-aware Exploration (UaE) acquisition function to propose scores in the objective space for conditional sampling. The approach is shown theoretically to achieve a near-optimal solution and empirically outperforms existing online BBO baselines across 6 scientific discovery tasks.
This paper analyzes the impact of device uncertainties on deep neural networks (DNNs) in emerging device-based Computing-in-memory (CiM) systems. The authors propose UAE, an uncertainty-aware Neural Architecture Search scheme, to identify DNN models robust to these uncertainties. The goal is to mitigate accuracy drops when deploying trained models on real-world platforms.
The paper introduces UAE-3D, a multi-modal VAE for 3D molecule generation that compresses molecules into a unified latent space, maintaining near-zero reconstruction error. This approach simplifies latent diffusion modeling by eliminating the need to handle multi-modality and equivariance separately. Experiments on GEOM-Drugs and QM9 datasets show UAE-3D establishes new benchmarks in de novo and conditional 3D molecule generation, with significant improvements in efficiency and quality.
This study introduces a reinforcement learning (RL) framework using Proximal Policy Optimization (PPO) and Soft Actor-Critic (SAC) to optimize the cleaning schedules of photovoltaic panels in arid regions. Applied to a case study in Abu Dhabi, the PPO-based framework demonstrated up to 13% cost savings compared to simulation optimization methods by dynamically adjusting cleaning intervals based on environmental conditions. The research highlights the potential of RL in enhancing the efficiency and reducing the operational costs of solar power generation.
The paper introduces MedNNS, a neural network search framework designed for medical imaging, addressing challenges in architecture selection and weight initialization. MedNNS constructs a meta-space encoding datasets and models based on their performance using a Supernetwork-based approach, expanding the model zoo size by 51x. The framework incorporates rank loss and Fréchet Inception Distance (FID) loss to capture inter-model and inter-dataset relationships, improving alignment in the meta-space and outperforming ImageNet pre-trained DL models and SOTA NAS methods.
This paper presents a reinforcement learning framework for optimizing energy pricing in peer-to-peer (P2P) energy systems. The framework aims to maximize the profit of all components in a microgrid, including consumers, prosumers, the service provider, and a community battery. Experimental results on the Pymgrid dataset demonstrate the approach's effectiveness in price optimization, considering the interests of different components and the impact of community battery capacity.
Researchers propose a spatio-temporal model for high-resolution wind forecasting in Saudi Arabia using Echo State Networks and stochastic partial differential equations. The model reduces spatial information via energy distance, captures dynamics with a sparse recurrent neural network, and reconstructs data using a non-stationary stochastic partial differential equation approach. The model achieves more accurate forecasts of wind speed and energy, potentially saving up to one million dollars annually compared to existing models.