Generative models have demonstrated impressive results in vision, language, and speech. However, even with massive datasets, they struggle with precision, generating physically invalid or factually incorrect data. This is particularly problematic when the generated data must satisfy constraints, for example, to meet product specifications in engineering design or to adhere to the laws of physics in a natural scene. To improve precision while preserving diversity and fidelity, we propose a novel training mechanism that leverages datasets of constraint-violating data points, which we consider invalid. Our approach minimizes the divergence between the generative distribution and the valid prior while maximizing the divergence with the invalid distribution. We demonstrate how generative models like Generative Adversarial Networks and Denoising Diffusion Probabilistic Models that we augment to train with invalid data vastly outperform their standard counterparts which solely train on valid data points. For example, our training procedure generates up to 98% fewer invalid samples on 2D densities, improves connectivity and stability four-fold on a stacking block problem, and improves constraint satisfaction by 15% on a structural topology optimization benchmark in engineering design. We also analyze how the quality of the invalid data affects the learning procedure and the generalization properties of models. Finally, we demonstrate significant improvements in sample efficiency, showing that a tenfold increase in valid samples leads to a negligible difference in constraint satisfaction, while <10% invalid samples lead to a tenfold improvement. Our proposed mechanism offers a promising solution for improving precision in generative models while preserving diversity and fidelity, particularly in domains where constraint satisfaction is critical and data is limited, such as engineering design, robotics, and medicine.

Generative models have had a profound impact on vision and language, paving the way for a new era of multimodal generative applications. While these successes have inspired researchers to explore using generative models in science and engineering to accelerate the design process and reduce the reliance on iterative optimization, challenges remain. Specifically, engineering optimization methods based on physics still outperform generative models when dealing with constrained environments where data is scarce and precision is paramount. To address these challenges, we introduce Diffusion Optimization Models (DOM) and Trajectory Alignment (TA), a learning framework that demonstrates the efficacy of aligning the sampling trajectory of diffusion models with the optimization trajectory derived from traditional physics-based methods. This alignment ensures that the sampling process remains firmly grounded in the underlying physical principles. Our method allows for generating feasible and high-performance designs in as few as two steps without the need for expensive preprocessing, external surrogate models, or additional labeled data. DOM also integrates an efficient conditioning approximation to speed up inference and a few steps of direct optimization to guide the process explicitly toward regions with superior manufacturability and performance. We apply our framework to structural topology optimization, a fundamental problem in mechanical design, evaluating its performance on in- and out-of-distribution configurations. Our results demonstrate that Trajectory Alignment outperforms state-of-the-art deep generative models on in-distribution configurations and halves the inference computational cost. When coupled with a few steps of optimization, it also improves manufacturability for out-of-distribution conditions. DOM shows the effectiveness of combining learning and optimization trajectories. By significantly improving engineering performance and inference efficiency, it enables us to generate high-quality designs in just a few steps and guide them toward regions of high performance and manufacturability, paving the way for the widespread application of generative models in large-scale data-driven design.

We introduce Multi-Objective Counterfactuals for Design (MCD), a novel method for counterfactual optimization in design problems. Counterfactuals are hypothetical situations that can lead to a different decision or choice. In this paper, the authors frame the counterfactual search problem as a design recommendation tool that can help identify modifications to a design, leading to better functional performance. MCD improves upon existing counterfactual search methods by supporting multi-objective queries, which are crucial in design problems, and by decoupling the counterfactual search and sampling processes, thus enhancing efficiency and facilitating objective tradeoff visualization. The paper demonstrates MCD's core functionality using a two-dimensional test case, followed by three case studies of bicycle design that showcase MCD's effectiveness in real-world design problems. In the first case study, MCD excels at recommending modifications to query designs that can significantly enhance functional performance, such as weight savings and improvements to the structural safety factor. The second case study demonstrates that MCD can work with a pre-trained language model to suggest design changes based on a subjective text prompt effectively. Lastly, the authors task MCD with increasing a query design's similarity to a target image and text prompt while simultaneously reducing weight and improving structural performance, demonstrating MCD's performance on a complex multimodal query. Overall, MCD has the potential to provide valuable recommendations for practitioners and design automation researchers looking for answers to their "What if" questions by exploring hypothetical design modifications and their impact on multiple design objectives.

Generative AI models have made significant progress in automating the creation of 3D shapes, which has the potential to transform car design. In engineering design and optimization, evaluating engineering metrics is crucial. To make generative models performance-aware and enable them to create high-performing designs, surrogate modeling of these metrics is necessary. However, the currently used representations of three-dimensional (3D) shapes either require extensive computational resources to learn or suffer from significant information loss, which impairs their effectiveness in surrogate modeling. To address this issue, we propose a new two-dimensional (2D) representation of 3D shapes. We develop a surrogate drag model based on this representation to verify its effectiveness in predicting 3D car drag. We construct a diverse dataset of 9,070 high-quality 3D car meshes labeled by drag coefficients computed from computational fluid dynamics (CFD) simulations to train our model. Our experiments demonstrate that our model can accurately and efficiently evaluate drag coefficients with an R^2 value above 0.84 for various car categories. Moreover, the proposed representation method can be generalized to many other product categories beyond cars. Our model is implemented using deep neural networks, making it compatible with recent AI image generation tools (such as Stable Diffusion) and a significant step towards the automatic generation of drag-optimized car designs. We have made the dataset and code publicly available at https://decode.mit.edu/projects/dragprediction/.

Accurate vehicle rating prediction can facilitate designing and configuring good vehicles. This prediction allows vehicle designers and manufacturers to optimize and improve their designs in a timely manner, enhance their product performance, and effectively attract consumers. However, most of the existing data-driven methods rely on data from a single mode, e.g., text, image, or parametric data, which results in a limited and incomplete exploration of the available information. These methods lack comprehensive analyses and exploration of data from multiple modes, which probably leads to inaccurate conclusions and hinders progress in this field. To overcome this limitation, we propose a multi-modal learning model for more comprehensive and accurate vehicle rating predictions. Specifically, the model simultaneously learns features from the parametric specifications, text descriptions, and images of vehicles to predict five vehicle rating scores, including the total score, critics score, performance score, safety score, and interior score. We compare the multi-modal learning model to the corresponding unimodal models and find that the multi-modal model's explanatory power is 4% - 12% higher than that of the unimodal models. On this basis, we conduct sensitivity analyses using SHAP to interpret our model and provide design and optimization directions to designers and manufacturers. Our study underscores the importance of the data-driven multi-modal learning approach for vehicle design, evaluation, and optimization. We have made the code publicly available at https://decode.mit.edu/projects/vehicleratings/.

Computational Fluid Dynamics (CFD) is widely used in different engineering fields, but accurate simulations are dependent upon proper meshing of the simulation domain. While highly refined meshes may ensure precision, they come with high computational costs. Similarly, adaptive remeshing techniques require multiple simulations and come at a great computational cost. This means that the meshing process is reliant upon expert knowledge and years of experience. Automating mesh generation can save significant time and effort and lead to a faster and more efficient design process. This paper presents a machine learning-based scheme that utilizes Graph Neural Networks (GNN) and expert guidance to automatically generate CFD meshes for aircraft models. In this work, we introduce a new 3D segmentation algorithm that outperforms two state-of-the-art models, PointNet++ and PointMLP, for surface classification. We also present a novel approach to project predictions from 3D mesh segmentation models to CAD surfaces using the conformal predictions method, which provides marginal statistical guarantees and robust uncertainty quantification and handling. We demonstrate that the addition of conformal predictions effectively enables the model to avoid under-refinement, hence failure, in CFD meshing even for weak and less accurate models. Finally, we demonstrate the efficacy of our approach through a real-world case study that demonstrates that our automatically generated mesh is comparable in quality to expert-generated meshes, and enables the solver to converge and produce accurate results. The code and data for this project is made publicly available at https://github.com/ahnobari/AutoSurf.

Exploiting the recent advancements in artificial intelligence, showcased by ChatGPT and DALL-E, in real-world applications necessitates vast, domain-specific, and publicly accessible datasets. Unfortunately, the scarcity of such datasets poses a significant challenge for researchers aiming to apply these breakthroughs in engineering design. Synthetic datasets emerge as a viable alternative. However, practitioners are often uncertain about generating high-quality datasets that accurately represent real-world data and are suitable for the intended downstream applications. This study aims to fill this knowledge gap by proposing comprehensive guidelines for generating, annotating, and validating synthetic datasets. The trade-offs and methods associated with each of these aspects are elaborated upon. Further, the practical implications of these guidelines are illustrated through the creation of a turbo-compressors dataset. The study underscores the importance of thoughtful sampling methods to ensure the appropriate size, diversity, utility, and realism of a dataset. It also highlights that design diversity does not equate to performance diversity or realism. By employing test sets that represent uniform, real, or task-specific samples, the influence of sample size and sampling strategy is scrutinized. Overall, this paper offers valuable insights for researchers intending to create and publish synthetic datasets for engineering design, thereby paving the way for more effective applications of AI advancements in the field. The code and data for the dataset and methods are made publicly accessible at https://github.com/cyrilpic/radcomp.

Machine learning has recently made significant strides in reducing design cycle time for complex products. Ship design, which currently involves years-long cycles and small batch production, could greatly benefit from these advancements. By developing a machine learning tool for ship design that learns from the design of many different types of ships, trade-offs in ship design could be identified and optimized. However, the lack of publicly available ship design datasets currently limits the potential for leveraging machine learning in generalized ship design. To address this gap, this paper presents a large dataset of 30,000 ship hulls, each with design and functional performance information, including parameterization, mesh, point-cloud, and image representations, as well as 32 hydrodynamic drag measures under different operating conditions. The dataset is structured to allow human input and is also designed for computational methods. Additionally, the paper introduces a set of 12 ship hulls from publicly available CAD repositories to showcase the proposed parameterizations ability to accurately reconstruct existing hulls. A surrogate model was developed to predict the 32 wave drag coefficients, which was then implemented in a genetic algorithm case study to reduce the total drag of a hull by 60 percent while maintaining the shape of the hulls cross section and the length of the parallel midbody. Our work provides a comprehensive dataset and application examples for other researchers to use in advancing data-driven ship design.

When designing evidence-based policies and programs, decision-makers must distill key information from a vast and rapidly growing literature base. Identifying relevant literature from raw search results is time and resource intensive, and is often done by manual screening. In this study, we develop an AI agent based on a bidirectional encoder representations from transformers (BERT) model and incorporate it into a human team designing an evidence synthesis product for global development. We explore the effectiveness of the human-AI hybrid team in accelerating the evidence synthesis process. To further improve team efficiency, we enhance the human-AI hybrid team through active learning (AL). Specifically, we explore different sampling strategies, including random sampling, least confidence (LC) sampling, and highest priority (HP) sampling, to study their influence on the collaborative screening process. Results show that incorporating the BERT-based AI agent into the human team can reduce the human screening effort by 68.5% compared to the case of no AI assistance and by 16.8% compared to the case of using a support vector machine (SVM)-based AI agent for identifying 80% of all relevant documents. When we apply the HP sampling strategy for AL, the human screening effort can be reduced even more: by 78.3% for identifying 80% of all relevant documents compared to no AI assistance. We apply the AL-enhanced human-AI hybrid teaming workflow in the design process of three evidence gap maps (EGMs) for USAID and find it to be highly effective. These findings demonstrate how AI can accelerate the development of evidence synthesis products and promote timely evidence-based decision making in global development in a human-AI hybrid teaming context.

Topology Optimization seeks to find the best design that satisfies a set of constraints while maximizing system performance. Traditional iterative optimization methods like SIMP can be computationally expensive and get stuck in local minima, limiting their applicability to complex or large-scale problems. Learning-based approaches have been developed to accelerate the topology optimization process, but these methods can generate designs with floating material and low performance when challenged with out-of-distribution constraint configurations. Recently, deep generative models, such as Generative Adversarial Networks and Diffusion Models, conditioned on constraints and physics fields have shown promise, but they require extensive pre-processing and surrogate models for improving performance. To address these issues, we propose a Generative Optimization method that integrates classic optimization like SIMP as a refining mechanism for the topology generated by a deep generative model. We also remove the need for conditioning on physical fields using a computationally inexpensive approximation inspired by classic ODE solutions and reduce the number of steps needed to generate a feasible and performant topology. Our method allows us to efficiently generate good topologies and explicitly guide them to regions with high manufacturability and high performance, without the need for external auxiliary models or additional labeled data. We believe that our method can lead to significant advancements in the design and optimization of structures in engineering applications, and can be applied to a broader spectrum of performance-aware engineering design problems.

Multi-modal machine learning (MMML), which involves integrating multiple modalities of data and their corresponding processing methods, has demonstrated promising results in various practical applications, such as text-to-image translation. This review paper summarizes the recent progress and challenges in using MMML for engineering design tasks. First, we introduce the different data modalities commonly used as design representations and involved in MMML, including text, 2D pixel data (e.g., images and sketches), and 3D shape data (e.g., voxels, point clouds, and meshes). We then provide an overview of the various approaches and techniques used for representing, fusing, aligning, synthesizing, and co-learning multi-modal data as five fundamental concepts of MMML. Next, we review the state-of-the-art capabilities of MMML that potentially apply to engineering design tasks, including design knowledge retrieval, design evaluation, and design synthesis. We also highlight the potential benefits and limitations of using MMML in these contexts. Finally, we discuss the challenges and future directions in using MMML for engineering design, such as the need for large labeled multi-modal design datasets, robust and scalable algorithms, integrating domain knowledge, and handling data heterogeneity and noise. Overall, this review paper provides a comprehensive overview of the current state and prospects of MMML for engineering design applications.

Deep generative models, such as Variational Autoencoders (VAEs), Generative Adversarial Networks (GANs), Diffusion Models, and Transformers, have shown great promise in a variety of applications, including image and speech synthesis, natural language processing, and drug discovery. However, when applied to engineering design problems, evaluating the performance of these models can be challenging, as traditional statistical metrics based on likelihood may not fully capture the requirements of engineering applications. This paper doubles as a review and a practical guide to evaluation metrics for deep generative models (DGMs) in engineering design. We first summarize well-accepted `classic' evaluation metrics for deep generative models grounded in machine learning theory and typical computer science applications. Using case studies, we then highlight why these metrics seldom translate well to design problems but see frequent use due to the lack of established alternatives. Next, we curate a set of design-specific metrics which have been proposed across different research communities and can be used for evaluating deep generative models. These metrics focus on unique requirements in design and engineering, such as constraint satisfaction, functional performance, novelty, and conditioning. We structure our review and discussion as a set of practical selection criteria and usage guidelines. Throughout our discussion, we apply the metrics to models trained on simple 2-dimensional example problems. Finally, to illustrate the selection process and classic usage of the presented metrics, we evaluate three deep generative models on a multifaceted bicycle frame design problem considering performance target achievement, design novelty, and geometric constraints. We publicly release the code for the datasets, models, and metrics used throughout the paper.

Conceptual design evaluation is an indispensable component of innovation in the early stage of engineering design. Properly assessing the effectiveness of conceptual design requires a rigorous evaluation of the outputs. Traditional methods to evaluate conceptual designs are slow, expensive, and difficult to scale because they rely on human expert input. An alternative approach is to use computational methods to evaluate design concepts. However, most existing methods have limited utility because they are constrained to unimodal design representations (e.g., texts or sketches). To overcome these limitations, we propose an attention-enhanced multimodal learning (AEMML)-based machine learning (ML) model to predict five design metrics- drawing quality, uniqueness, elegance, usefulness, and creativity. The proposed model utilizes knowledge from large external datasets through transfer learning (TL), simultaneously processes text and sketch data from early-phase concepts, and effectively fuses the multimodal information through a mutual cross-attention mechanism. To study the efficacy of multimodal learning (MML) and attention-based information fusion, we compare (1) a baseline MML model and the unimodal models and (2) the attention-enhanced models with baseline models in terms of their explanatory power for the variability of the design metrics. The results show that MML improves the model explanatory power by 0.05-0.12 and the mutual cross-attention mechanism further increases the explanatory power of the approach by 0.05-0.09, leading to the highest explanatory power of 0.44 for drawing quality, 0.60 for uniqueness, 0.45 for elegance, 0.43 for usefulness, and 0.32 for creativity. Our findings highlight the benefit of using multimodal representations for design metric assessment.

Structural topology optimization, which aims to find the optimal physical structure that maximizes mechanical performance, is vital in engineering design applications in aerospace, mechanical, and civil engineering. Generative adversarial networks (GANs) have recently emerged as a popular alternative to traditional iterative topology optimization methods. However, these models are often difficult to train, have limited generalizability, and due to their goal of mimicking optimal structures, neglect manufacturability and performance objectives like mechanical compliance. We propose TopoDiff - a conditional diffusion-model-based architecture to perform performance-aware and manufacturability-aware topology optimization that overcomes these issues. Our model introduces a surrogate model-based guidance strategy that actively favors structures with low compliance and good manufacturability. Our method significantly outperforms a state-of-art conditional GAN by reducing the average error on physical performance by a factor of eight and by producing eleven times fewer infeasible samples. By introducing diffusion models to topology optimization, we show that conditional diffusion models have the ability to outperform GANs in engineering design synthesis applications too. Our work also suggests a general framework for engineering optimization problems using diffusion models and external performance with constraint-aware guidance. We publicly share the data, code, and trained models.

In this paper, we introduce LINKS, a dataset of 100 million one degree of freedom planar linkage mechanisms and 1.1 billion coupler curves, which is more than 1000 times larger than any existing database of planar mechanisms and is not limited to specific kinds of mechanisms such as four-bars, six-bars, etc. which are typically what most databases include. LINKS is made up of various components including 100 million mechanisms, the simulation data for each mechanism, normalized paths generated by each mechanism, a curated set of paths, the code used to generate the data and simulate mechanisms, and a live web demo for interactive design of linkage mechanisms. The curated paths are provided as a measure for removing biases in the paths generated by mechanisms that enable a more even design space representation. In this paper, we discuss the details of how we can generate such a large dataset and how we can overcome major issues with such scales. To be able to generate such a large dataset we introduce a new operator to generate 1-DOF mechanism topologies, furthermore, we take many steps to speed up slow simulations of mechanisms by vectorizing our simulations and parallelizing our simulator on a large number of threads, which leads to a simulation 800 times faster than the simple simulation algorithm. This is necessary given on average, 1 out of 500 candidates that are generated are valid~(and all must be simulated to determine their validity), which means billions of simulations must be performed for the generation of this dataset. Then we demonstrate the depth of our dataset through a bi-directional chamfer distance-based shape retrieval study where we show how our dataset can be used directly to find mechanisms that can trace paths very close to desired target paths.

Automated design synthesis has the potential to revolutionize the modern engineering design process and improve access to highly optimized and customized products across countless industries. Successfully adapting generative machine learning to design engineering may enable such automated design synthesis and is a research subject of great importance. We present a review and analysis of deep generative machine learning models in engineering design. Deep generative models (DGMs) typically leverage deep networks to learn from an input dataset and synthesize new designs. Recently, DGMs such as feedforward neural networks (NNs), generative adversarial networks (GANs), variational autoencoders (VAEs), and certain deep reinforcement learning (DRL) frameworks have shown promising results in design applications like structural optimization, materials design, and shape synthesis. The prevalence of DGMs in engineering design has skyrocketed since 2016. Anticipating the continued growth, we conduct a review of recent advances to benefit researchers interested in DGMs for design. We structure our review as an exposition of the algorithms, datasets, representation methods, and applications commonly used in the current literature. In particular, we discuss key works that have introduced new techniques and methods in DGMs, successfully applied DGMs to a design-related domain, or directly supported the development of DGMs through datasets or auxiliary methods. We further identify key challenges and limitations currently seen in DGMs across design fields, such as design creativity, handling constraints and objectives, and modeling both form and functional performance simultaneously. In our discussion, we identify possible solution pathways as key areas on which to target the future work.