Related papers: Offline Materials Optimization with CliqueFlowmer

Two-dimensional (2D) materials have wide applications in superconductors, quantum, and topological materials. However, their rational design is not well established, and currently less than 6,000 experimentally synthesized 2D materials have…

Computational fluid dynamics (CFD) provides high-fidelity simulations of fluid flows but remains computationally expensive for many-query applications. In recent years deep learning (DL) has been used to construct data-driven fluid-dynamic…

Quantum computing is an advancing area of research in which computer hardware and algorithms are developed to take advantage of quantum mechanical phenomena. In recent studies, quantum algorithms have shown promise in solving linear systems…

Federated edge learning (FEEL) has recently emerged as a promising paradigm for achieving edge intelligence (EI) via enabling collaborative model training across edge devices while protecting data privacy. In this paper, we put forth an…

Experimentally [1-38] and computationally [39-50] validated machine learning (ML) articles are sorted based on the size of the training data: 1-100, 101-10000, and 10000+ in a comprehensive set summarizing legacy and recent advances in the…

Several overlay-based live multimedia streaming platforms have been proposed in the recent peer-to-peer streaming literature. In most of the cases, the overlay neighbors are chosen randomly for robustness of the overlay. However, this…

Efficient materials discovery requires reducing costly first-principles calculations for training machine-learned interatomic potentials (MLIPs). We develop an active learning (AL) framework that iteratively selects informative structures…

Model-based reinforcement learning (MBRL) algorithms learn a dynamics model from collected data and apply it to generate synthetic trajectories to enable faster learning. This is an especially promising paradigm in offline reinforcement…

Effective properties of materials with random heterogeneous structures are typically determined by homogenising the mechanical quantity of interest in a window of observation. The entire problem setting encompasses the solution of a local…

An automatic mesh generation method for optimal computational fluid dynamics (CFD) analysis of a blade passage is developed using deep reinforcement learning (DRL). Unlike conventional automation techniques, which require repetitive tuning…

Continual Learning (CL) aims to learn from a non-stationary data stream where the underlying distribution changes over time. While recent advances have produced efficient memory-free methods in the offline CL (offCL) setting, where tasks…

Product recommendation systems are important for major movie studios during the movie greenlight process and as part of machine learning personalization pipelines. Collaborative Filtering (CF) models have proved to be effective at powering…

Generating molecular graphs is crucial in drug design and discovery but remains challenging due to the complex interdependencies between nodes and edges. While diffusion models have demonstrated their potentiality in molecular graph design,…

Designing functional materials requires a deep search through multidimensional spaces for system parameters that yield desirable material properties. For cases where conventional parameter sweeps or trial-and-error sampling are impractical,…

We introduce a new paradigm for generative modeling built on Continuous Normalizing Flows (CNFs), allowing us to train CNFs at unprecedented scale. Specifically, we present the notion of Flow Matching (FM), a simulation-free approach for…

Discovering optimal designs through sequential data collection is essential in many real-world applications. While Bayesian Optimization (BO) has achieved remarkable success in this setting, growing attention has recently turned to…

Deep learning and especially the use of Deep Neural Networks (DNNs) provides impressive results in various regression and classification tasks. However, to achieve these results, there is a high demand for computing and storing resources.…

In recent years, diffusion models have become the most popular and powerful methods in the field of image synthesis, even rivaling human artists in artistic creativity. However, the key issue currently limiting the application of diffusion…

We present a data-driven numerical approach for on-the-fly active flow control and demonstrate its effectiveness for drag reduction in two-dimensional incompressible flow past a cylinder. The method is based on flow map learning (FML), a…

Recent deployments of learned query optimizers use expensive neural networks and ad-hoc search policies. To address these issues, we introduce \textsc{LimeQO}, a framework for offline query optimization leveraging low-rank learning to…