In this work, we incorporate first principle physics into the construction of data-driven methods by considering a model that accounts for the different sources of energy losses during vehicle operations. Our results show that Bayesian linear regression based on this physics-aware model can improve the reliability of the expected energy consumption, as compared with standard linear regression. Further, it is shown that more complex machine learning models such as neural networks and gradient boosted regression trees, based on the same physical model, can further improve the accuracy in energy forecasting and significantly outperform standard versions of the same machine learning models. In addition to point predictions of the energy consumption, we develop a framework for estimating the corresponding uncertainty in the form of predicted standard deviation. Our results show that all of the models learn to estimate the uncertainty reasonably well.
We introduce implicit machine learning force fields (I-MLFFs), which replace explicit stacks of neural network layers with self-consistent fixed-point equations. In molecular simulations, this formulation enables intermediate representations to be reused across successive timeste…
Utility data (e.g., electricity, water, and gas consumption), collected by ubiquitous sensors and embedded devices, often contains substantial missing values due to various factors such as device failures and data transmission issues. The data missingness can severely impact util…
In this study, we introduce latent PDE mapping, a broadly applicable physics-informed learning technique designed to enable efficient geometric generalization with sparse training data. Latent PDE mapping pulls back geometry-specific PDE residuals and boundary conditions to a pre…
Prior classical-ML learning-curve work fits power laws to tree, linear, and kernel models on tabular data, but at small scale: typically one curve, one team, a handful of cells. We present a distributed classroom-scale replication: 127 students each ran a fixed protocol on 3 assi…
Machine-learning surrogates of physical systems face a paradox: explainable models facing the challenge of expressivity to capture complex nonlinear flows, whereas expressive deep surrogates match high-fidelity simulations only through massive parameterisations that turn the lear…
Simulation-based inference (SBI) with machine learning is an increasingly important tool for solving inverse problems in science and engineering, including parameter inference and the inversion of detector effects. We provide an overview of the Bayesian and frequentist statistica…