Gaussian Ensemble Belief Propagation for Efficient Inference in High-Dimensional Systems

Efficient inference in high-dimensional models remains a central challenge in machine learning. This paper introduces the Gaussian Ensemble Belief Propagation (GEnBP) algorithm, a fusion of the Ensemble Kalman filter and Gaussian belief propagation (GaBP) methods. GEnBP updates ensembles by passing low-rank local messages in a graphical model structure. This combination inherits favourable qualities from each method. Ensemble techniques allow GEnBP to handle high-dimensional states, parameters and intricate, noisy, black-box generation processes. The use of local messages in a graphical model structure ensures that the approach is suited to distributed computing and can efficiently handle complex dependence structures. GEnBP is particularly advantageous when the ensemble size is considerably smaller than the inference dimension. This scenario often arises in fields such as spatiotemporal modelling, image processing and physical model inversion. GEnBP can be applied to general problem structures, including jointly learning system parameters, observation parameters, and latent state variables.

PDEBENCH: An Extensive Benchmark for Scientific Machine Learning

Machine learning-based modeling of physical systems has experienced increased interest in recent years. Despite some impressive progress, there is still a lack of benchmarks for Scientific ML that are easy to use but still challenging and representative of a wide range of problems. We introduce PDEBench, a benchmark suite of time-dependent simulation tasks based on Partial Differential Equations (PDEs). PDEBench comprises both code and data to benchmark the performance of novel machine learning models against both classical numerical simulations and machine learning baselines. Our proposed set of benchmark problems contribute the following unique features: (1) A much wider range of PDEs compared to existing benchmarks, ranging from relatively common examples to more realistic and difficult problems; (2) much larger ready-to-use datasets compared to prior work, comprising multiple simulation runs across a larger number of initial and boundary conditions and PDE parameters; (3) more extensible source codes with user-friendly APIs for data generation and baseline results with popular machine learning models (FNO, U-Net, PINN, Gradient-Based Inverse Method). PDEBench allows researchers to extend the benchmark freely for their own purposes using a standardized API and to compare the performance of new models to existing baseline methods. We also propose new evaluation metrics with the aim to provide a more holistic understanding of learning methods in the context of Scientific ML. With those metrics we identify tasks which are challenging for recent ML methods and propose these tasks as future challenges for the community. The code is available at https://github.com/pdebench/PDEBench.