For differential equations, differentiable integrators [see, e.g.,7]will constitute alayer.

Integrating physics models within machine learning models holds considerable promise toward learning robust models with improved interpretability and abilities to extrapolate. In this work, we focus on the integration of incomplete physics models into deep generative models. In particular, we introduce an architecture of variational autoencoders (VAEs) in which a part of the latent space is grounded by physics. A key technical challenge is to strike a balance between the incomplete physics and trainable components such as neural networks for ensuring that the physics part is used in a meaningful manner. To this end, we propose a regularized learning method that controls the effect of the trainable components and preserves the semantics of the physics-based latent variables as intended. We not only demonstrate generative performance improvements over a set of synthetic and real-world datasets, but we also show that we learn robust models that can consistently extrapolate beyond the training distribution in a meaningful manner. Moreover, we show that we can control the generative process in an interpretable manner.

The concept learner grounds visual concepts ( e.g., color, shape, and material) from these object-centric representations based on the language,

Intensive studies have been conducted in recent years to integrate neural networks with physics models to balance model accuracy and interpretability. One recently proposed approach, named Physics-Enhanced Residual Learning (PERL), is to use learning to estimate the residual between the physics model prediction and the ground truth. Numeral examples suggested that integrating such residual with physics models in PERL has three advantages: (1) a reduction in the number of required neural network parameters; (2) faster convergence rates; and (3) fewer training samples needed for the same computational precision. However, these numerical results lack theoretical justification and cannot be adequately explained. This paper aims to explain these advantages of PERL from a theoretical perspective. We investigate a general class of problems with Lipschitz continuity properties. By examining the relationships between the bounds to the loss function and residual learning structure, this study rigorously proves a set of theorems explaining the three advantages of PERL. Several numerical examples in the context of automated vehicle trajectory prediction are conducted to illustrate the proposed theorems. The results confirm that, even with significantly fewer training samples, PERL consistently achieves higher accuracy than a pure neural network. These results demonstrate the practical value of PERL in real world autonomous driving applications where corner case data are costly or hard to obtain. PERL therefore improves predictive performance while reducing the amount of data required.

A technical challenge in deep gray-box modeling is to ensure an appropriate use of physics models. A careless design of models and learning can lead to an erratic behavior of the components meant to represent physics (e.g., with erroneous estimation of physics parameters), and eventually, the overall

Physics phenomena are often described by ordinary and/or partial differential equations (ODEs/PDEs), and solved analytically or numerically. Unfortunately, many real-world systems are described only approximately with missing or unknown terms in the equations. This makes the distribution of the physics model differ from the true data-generating process (DGP). Using limited and unpaired data between DGP observations and the imperfect model simulations, we investigate this particular setting by completing the known-physics model, combining theory-driven models and data-driven to describe the shifted distribution involved in the DGP. We present a novel hybrid generative model approach combining deep grey-box modelling with Optimal Transport (OT) methods to enhance incomplete physics models. Our method implements OT maps in data space while maintaining minimal source distribution distortion, demonstrating superior performance in resolving the unpaired problem and ensuring correct usage of physics parameters. Unlike black-box alternatives, our approach leverages physics-based inductive biases to accurately learn system dynamics while preserving interpretability through its domain knowledge foundation. Experimental results validate our method's effectiveness in both generation tasks and model transparency, offering detailed insights into learned physics dynamics.

Many inverse problems in nuclear fusion and high-energy astrophysics research, such as the optimization of tokamak reactor geometries or the inference of black hole parameters from interfer-ometric images, necessitate high-dimensional parameter scans and large ensembles of simulations to be performed. Such inverse problems typically involve large uncertainties, both in the measurement parameters being inverted and in the underlying physics models themselves. Monte Carlo sampling, when combined with modern non-linear dimensionality reduction techniques such as autoencoders and manifold learning, can be used to reduce the size of the parameter spaces considerably. However, there is no guarantee that the resulting combinations of parameters will be physically valid, or even mathematically consistent. In this position paper, we advocate adopting a hybrid approach that leverages our recent advances in the development of formal verification methods for numerical algorithms, with the goal of constructing parameter space restrictions with provable mathematical and physical correctness properties, whilst nevertheless respecting both experimental uncertainties and uncertainties in the underlying physical processes.

This work presents a physics-based machine learning framework to predict and analyze oxides of nitrogen (NOx) emissions from compression-ignition engine-powered vehicles using on-board diagnostics (OBD) data as input. Accurate NOx prediction from OBD datasets is difficult because NOx formation inside an engine combustion chamber is governed by complex processes occurring on timescales much shorter than the data collection rate. Thus, emissions generally cannot be predicted accurately using simple empirically derived physics models. Black box models like genetic algorithms or neural networks can be more accurate, but have poor interpretability. The transparent model presented in this paper has both high accuracy and can explain potential sources of high emissions. The proposed framework consists of two major steps: a physics-based NOx prediction model combined with a novel Divergent Window Co-occurrence (DWC) Pattern detection algorithm to analyze operating conditions that are not adequately addressed by the physics-based model. The proposed framework is validated for generalizability with a second vehicle OBD dataset, a sensitivity analysis is performed, and model predictions are compared with that from a deep neural network. The results show that NOx emissions predictions using the proposed model has around 55% better root mean square error, and around 60% higher mean absolute error compared to the baseline NOx prediction model from previously published work. The DWC Pattern Detection Algorithm identified low engine power conditions to have high statistical significance, indicating an operating regime where the model can be improved. This work shows that the physics-based machine learning framework is a viable method for predicting NOx emissions from engines that do not incorporate NOx sensing.