Adrian Butscher

Saeid Bayat, Nastaran Shahmansouri, Satya RT Peddada et al.

In this research, we developed a graph-based framework to represent various aspects of optimal thermal management system design, with the aim of rapidly and efficiently identifying optimal design candidates. Initially, the graph-based framework is utilized to generate diverse thermal management system architectures. The dynamics of these system architectures are modeled under various loading conditions, and an open-loop optimal controller is employed to determine each system's optimal performance. These modeled cases constitute the dataset, with the corresponding optimal performance values serving as the labels for the data. In the subsequent step, a Graph Neural Network (GNN) model is trained on 30% of the labeled data to predict the systems' performance, effectively addressing a regression problem. Utilizing this trained model, we estimate the performance values for the remaining 70% of the data, which serves as the test set. In the third step, the predicted performance values are employed to rank the test data, facilitating prioritized evaluation of the design scenarios. Specifically, a small subset of the test data with the highest estimated ranks undergoes evaluation via the open-loop optimal control solver. This targeted approach concentrates on evaluating higher-ranked designs identified by the GNN, replacing the exhaustive search (enumeration-based) of all design cases. The results demonstrate a significant average reduction of over 92% in the number of system dynamic modeling and optimal control analyses required to identify optimal design scenarios.

Nima Hosseini Dashtbayaz, Hesam Salehipour, Adrian Butscher et al.

Reduced-order modeling (ROM) of time-dependent and parameterized differential equations aims to accelerate the simulation of complex high-dimensional systems by learning a compact latent manifold representation that captures the characteristics of the solution fields and their time-dependent dynamics. Although high-fidelity numerical solvers generate the training datasets, they have thus far been excluded from the training process, causing the learned latent dynamics to drift away from the discretized governing physics. This mismatch often limits generalization and forecasting capabilities. In this work, we propose Physics-informed ROM ($Φ$-ROM) by incorporating differentiable PDE solvers into the training procedure. Specifically, the latent space dynamics and its dependence on PDE parameters are shaped directly by the governing physics encoded in the solver, ensuring a strong correspondence between the full and reduced systems. Our model outperforms state-of-the-art data-driven ROMs and other physics-informed strategies by accurately generalizing to new dynamics arising from unseen parameters, enabling long-term forecasting beyond the training horizon, maintaining continuity in both time and space, and reducing the data cost. Furthermore, $Φ$-ROM learns to recover and forecast the solution fields even when trained or evaluated with sparse and irregular observations of the fields, providing a flexible framework for field reconstruction and data assimilation. We demonstrate the framework's robustness across various PDE solvers and highlight its broad applicability by providing an open-source JAX implementation that is readily extensible to other PDE systems and differentiable solvers, available at https://phi-rom.github.io.

Hyunmin Cheong, Adrian Butscher

The current work presents an ontology developed for physics-based simulation in engineering design, called Physics-based Simulation Ontology (PSO). The purpose of the ontology is to assist in modelling the physical phenomenon of interest in a veridical manner, while capturing the necessary and reusable information for physics-based simulation solvers. The development involved extending an existing upper ontology, Basic Formal Ontology (BFO), to define lower-level terms of PSO. PSO has two parts: PSO-Physics, which consists of terms and relations used to model physical phenomena based on the perspective of classical mechanics involving partial differential equations, and PSO-Sim, which consists of terms used to represent the information artefacts that are about the physical phenomena modelled with PSO-Physics. The former terms are used to model the physical phenomenon of interest independent of solver-specific interpretations, which can be reused across different solvers, while the latter terms are used to instantiate solver-specific input data. A case study involving two simulation solvers was conducted to demonstrate this capability of PSO. Discussion around the benefits and limitations of using BFO for the current work is also provided, which should be valuable for any future work that extends an existing upper ontology to develop ontologies for engineering applications.

Mohammadmehdi Ataei, Hyunmin Cheong, Adrian Butscher

Deep neural networks are increasingly used in safety-critical domains such as robotics and scientific modeling, where strict adherence to output constraints is essential. Methods like POLICE, which are tailored for single convex regions, face challenges when extended to multiple disjoint regions, often leading to constraint violations or unwanted affine behavior across regions. This paper proposes mPOLICE, a new approach that generalizes POLICE to provably enforce affine constraints over multiple disjoint convex regions. At its core, mPOLICE assigns distinct neuron activation patterns to each constrained region, enabling localized affine behavior and avoiding unintended generalization. This is implemented through a layer-wise optimization of the network parameters. Additionally, we introduce a training algorithm that incorporates mPOLICE into conventional deep learning pipelines, balancing task-specific performance with constraint enforcement using periodic sign pattern enforcement. We validate the flexibility and effectiveness of mPOLICE through experiments across various applications, including safety-critical reinforcement learning, implicit 3D shape representation with geometric constraints, and fluid dynamics simulations with boundary condition enforcement. Importantly, mPOLICE incurs no runtime overhead during inference, making it a practical and reliable solution for constraint handling in deep neural networks.