Cashen Diniz

Florian Felten, Gabriel Apaza, Gerhard Bräunlich et al.

Engineering design optimization seeks to automatically determine the shapes, topologies, or parameters of components that maximize performance under given conditions. This process often depends on physics-based simulations, which are difficult to install, computationally expensive, and require domain-specific expertise. To mitigate these challenges, we introduce EngiBench, the first open-source library and datasets spanning diverse domains for data-driven engineering design. EngiBench provides a unified API and a curated set of benchmarks -- covering aeronautics, heat conduction, photonics, and more -- that enable fair, reproducible comparisons of optimization and machine learning algorithms, such as generative or surrogate models. We also release EngiOpt, a companion library offering a collection of such algorithms compatible with the EngiBench interface. Both libraries are modular, letting users plug in novel algorithms or problems, automate end-to-end experiment workflows, and leverage built-in utilities for visualization, dataset generation, feasibility checks, and performance analysis. We demonstrate their versatility through experiments comparing state-of-the-art techniques across multiple engineering design problems, an undertaking that was previously prohibitively time-consuming to perform. Finally, we show that these problems pose significant challenges for standard machine learning methods due to highly sensitive and constrained design manifolds.

Nathan Hoffman, Cashen Diniz, Dehao Liu et al.

Simulation-based approaches to microstructure generation can suffer from a variety of limitations, such as high memory usage, long computational times, and difficulties in generating complex geometries. Generative machine learning models present a way around these issues, but they have previously been limited by the fixed size of their generation area. We present a new microstructure generation methodology leveraging advances in inpainting using denoising diffusion models to overcome this generation area limitation. We show that microstructures generated with the presented methodology are statistically similar to grain structures generated with a kinetic Monte Carlo simulator, SPPARKS.

Qiuyi Chen, Cashen Diniz, Mark Fuge

This paper introduces Least Volume (LV)--a simple yet effective regularization method inspired by geometric intuition--that reduces the number of latent dimensions required by an autoencoder without prior knowledge of the dataset's intrinsic dimensionality. We show that its effectiveness depends on the Lipschitz continuity of the decoder, prove that Principal Component Analysis (PCA) is a linear special case, and demonstrate that LV induces a PCA-like importance ordering in nonlinear models. We extend LV to non-Euclidean settings as Generalized Least Volume (GLV), enabling the integration of label information into the latent representation. To support implementation, we also develop an accompanying Dynamic Pruning algorithm. We evaluate LV on several benchmark problems, demonstrating its effectiveness in dimension reduction. Leveraging this, we reveal the role of low-dimensional latent spaces in data sampling and disentangled representation, and use them to probe the varying topological complexity of various datasets. GLV is further applied to labeled datasets, where it induces a contrastive learning effect in representations of discrete labels. On a continuous-label airfoil dataset, it produces representations that lead to smooth changes in aerodynamic performance, thereby stabilizing downstream optimization.