Deep Generative Model for Mechanical System Configuration Design

Generative AI has made remarkable progress in addressing various design challenges. One prominent area where generative AI could bring significant value is in engineering design. In particular, selecting an optimal set of components and their interfaces to create a mechanical system that meets design requirements is one of the most challenging and time-consuming tasks for engineers. This configuration design task is inherently challenging due to its categorical nature, multiple design requirements a solution must satisfy, and the reliance on physics simulations for evaluating potential solutions. These characteristics entail solving a combinatorial optimization problem with multiple constraints involving black-box functions. To address this challenge, we propose a deep generative model to predict the optimal combination of components and interfaces for a given design problem. To demonstrate our approach, we solve a gear train synthesis problem by first creating a synthetic dataset using a grammar, a parts catalogue, and a physics simulator. We then train a Transformer using this dataset, named GearFormer, which can not only generate quality solutions on its own, but also augment search methods such as an evolutionary algorithm and Monte Carlo tree search. We show that GearFormer outperforms such search methods on their own in terms of satisfying the specified design requirements with orders of magnitude faster generation time. Additionally, we showcase the benefit of hybrid methods that leverage both GearFormer and search methods, which further improve the quality of the solutions.

Reduced-order modeling of unsteady fluid flow using neural network ensembles

The use of deep learning has become increasingly popular in reduced-order models (ROMs) to obtain low-dimensional representations of full-order models. Convolutional autoencoders (CAEs) are often used to this end as they are adept at handling data that are spatially distributed, including solutions to partial differential equations. When applied to unsteady physics problems, ROMs also require a model for time-series prediction of the low-dimensional latent variables. Long short-term memory (LSTM) networks, a type of recurrent neural network useful for modeling sequential data, are frequently employed in data-driven ROMs for autoregressive time-series prediction. When making predictions at unseen design points over long time horizons, error propagation is a frequently encountered issue, where errors made early on can compound over time and lead to large inaccuracies. In this work, we propose using bagging, a commonly used ensemble learning technique, to develop a fully data-driven ROM framework referred to as the CAE-eLSTM ROM that uses CAEs for spatial reconstruction of the full-order model and LSTM ensembles for time-series prediction. When applied to two unsteady fluid dynamics problems, our results show that the presented framework effectively reduces error propagation and leads to more accurate time-series prediction of latent variables at unseen points.

XLB: Distributed Multi-GPU Lattice Boltzmann Simulation Framework for Differentiable Scientific Machine Learning

The lattice Boltzmann method (LBM) has emerged as a prominent technique for solving fluid dynamics problems due to its algorithmic potential for computational scalability. We introduce XLB framework, a Python-based differentiable LBM library which harnesses the capabilities of the JAX framework. The architecture of XLB is predicated upon ensuring accessibility, extensibility, and computational performance, enabling scaling effectively across CPU, multi-GPU, and distributed multi-GPU systems. The framework can be readily augmented with novel boundary conditions, collision models, or simulation capabilities. XLB offers the unique advantage of integration with JAX's extensive machine learning echosystem, and the ability to utilize automatic differentiation for tackling physics-based machine learning, optimization, and inverse problems. XLB has been successfully scaled to handle simulations with billions of cells, achieving giga-scale lattice updates per second. XLB is released under the permissive Apache-2.0 license and is available on GitHub at https://github.com/Autodesk/XLB.

A Deep Learning Algorithm for Piecewise Linear Interface Construction (PLIC)

Piecewise Linear Interface Construction (PLIC) is frequently used to geometrically reconstruct fluid interfaces in Computational Fluid Dynamics (CFD) modeling of two-phase flows. PLIC reconstructs interfaces from a scalar field that represents the volume fraction of each phase in each computational cell. Given the volume fraction and interface normal, the location of a linear interface is uniquely defined. For a cubic computational cell (3D), the position of the planar interface is determined by intersecting the cube with a plane, such that the volume of the resulting truncated polyhedron cell is equal to the volume fraction. Yet it is geometrically complex to find the exact position of the plane, and it involves calculations that can be a computational bottleneck of many CFD models. However, while the forward problem of 3D PLIC is challenging, the inverse problem, of finding the volume of the truncated polyhedron cell given a defined plane, is simple. In this work, we propose a deep learning model for the solution to the forward problem of PLIC by only making use of its inverse problem. The proposed model is up to several orders of magnitude faster than traditional schemes, which significantly reduces the computational bottleneck of PLIC in CFD simulations.

NPLIC: A Machine Learning Approach to Piecewise Linear Interface Construction

Volume of fluid (VOF) methods are extensively used to track fluid interfaces in numerical simulations, and many VOF algorithms require that the interface be reconstructed geometrically. For this purpose, the Piecewise Linear Interface Construction (PLIC) technique is most frequently used, which for reasons of geometric complexity can be slow and difficult to implement. Here, we propose an alternative neural network-based method called NPLIC to perform PLIC calculations. The model is trained on a large synthetic dataset of PLIC solutions for square, cubic, triangular, and tetrahedral meshes. We show that this data-driven approach results in accurate calculations at a fraction of the usual computational cost.