Latent Diffusion Models for Structural Component Design

Recent advances in generative modeling, namely Diffusion models, have revolutionized generative modeling, enabling high-quality image generation tailored to user needs. This paper proposes a framework for the generative design of structural components. Specifically, we employ a Latent Diffusion model to generate potential designs of a component that can satisfy a set of problem-specific loading conditions. One of the distinct advantages our approach offers over other generative approaches, such as generative adversarial networks (GANs), is that it permits the editing of existing designs. We train our model using a dataset of geometries obtained from structural topology optimization utilizing the SIMP algorithm. Consequently, our framework generates inherently near-optimal designs. Our work presents quantitative results that support the structural performance of the generated designs and the variability in potential candidate designs. Furthermore, we provide evidence of the scalability of our framework by operating over voxel domains with resolutions varying from $32^3$ to $128^3$. Our framework can be used as a starting point for generating novel near-optimal designs similar to topology-optimized designs.

Towards Foundational AI Models for Additive Manufacturing: Language Models for G-Code Debugging, Manipulation, and Comprehension

3D printing or additive manufacturing is a revolutionary technology that enables the creation of physical objects from digital models. However, the quality and accuracy of 3D printing depend on the correctness and efficiency of the G-code, a low-level numerical control programming language that instructs 3D printers how to move and extrude material. Debugging G-code is a challenging task that requires a syntactic and semantic understanding of the G-code format and the geometry of the part to be printed. In this paper, we present the first extensive evaluation of six state-of-the-art foundational large language models (LLMs) for comprehending and debugging G-code files for 3D printing. We design effective prompts to enable pre-trained LLMs to understand and manipulate G-code and test their performance on various aspects of G-code debugging and manipulation, including detection and correction of common errors and the ability to perform geometric transformations. We analyze their strengths and weaknesses for understanding complete G-code files. We also discuss the implications and limitations of using LLMs for G-code comprehension.

Deep learning powered real-time identification of insects using citizen science data

Insect-pests significantly impact global agricultural productivity and quality. Effective management involves identifying the full insect community, including beneficial insects and harmful pests, to develop and implement integrated pest management strategies. Automated identification of insects under real-world conditions presents several challenges, including differentiating similar-looking species, intra-species dissimilarity and inter-species similarity, several life cycle stages, camouflage, diverse imaging conditions, and variability in insect orientation. A deep-learning model, InsectNet, is proposed to address these challenges. InsectNet is endowed with five key features: (a) utilization of a large dataset of insect images collected through citizen science; (b) label-free self-supervised learning for large models; (c) improving prediction accuracy for species with a small sample size; (d) enhancing model trustworthiness; and (e) democratizing access through streamlined MLOps. This approach allows accurate identification (>96% accuracy) of over 2500 insect species, including pollinator (e.g., butterflies, bees), parasitoid (e.g., some wasps and flies), predator species (e.g., lady beetles, mantises, dragonflies) and harmful pest species (e.g., armyworms, cutworms, grasshoppers, stink bugs). InsectNet can identify invasive species, provide fine-grained insect species identification, and work effectively in challenging backgrounds. It also can abstain from making predictions when uncertain, facilitating seamless human intervention and making it a practical and trustworthy tool. InsectNet can guide citizen science data collection, especially for invasive species where early detection is crucial. Similar approaches may transform other agricultural challenges like disease detection and underscore the importance of data collection, particularly through citizen science efforts..

Out-of-distribution detection algorithms for robust insect classification

Deep learning-based approaches have produced models with good insect classification accuracy; Most of these models are conducive for application in controlled environmental conditions. One of the primary emphasis of researchers is to implement identification and classification models in the real agriculture fields, which is challenging because input images that are wildly out of the distribution (e.g., images like vehicles, animals, humans, or a blurred image of an insect or insect class that is not yet trained on) can produce an incorrect insect classification. Out-of-distribution (OOD) detection algorithms provide an exciting avenue to overcome these challenge as it ensures that a model abstains from making incorrect classification prediction of non-insect and/or untrained insect class images. We generate and evaluate the performance of state-of-the-art OOD algorithms on insect detection classifiers. These algorithms represent a diversity of methods for addressing an OOD problem. Specifically, we focus on extrusive algorithms, i.e., algorithms that wrap around a well-trained classifier without the need for additional co-training. We compared three OOD detection algorithms: (i) Maximum Softmax Probability, which uses the softmax value as a confidence score, (ii) Mahalanobis distance-based algorithm, which uses a generative classification approach; and (iii) Energy-Based algorithm that maps the input data to a scalar value, called energy. We performed an extensive series of evaluations of these OOD algorithms across three performance axes: (a) \textit{Base model accuracy}: How does the accuracy of the classifier impact OOD performance? (b) How does the \textit{level of dissimilarity to the domain} impact OOD performance? and (c) \textit{Data imbalance}: How sensitive is OOD performance to the imbalance in per-class sample size?

Neural PDE Solvers for Irregular Domains

Neural network-based approaches for solving partial differential equations (PDEs) have recently received special attention. However, the large majority of neural PDE solvers only apply to rectilinear domains, and do not systematically address the imposition of Dirichlet/Neumann boundary conditions over irregular domain boundaries. In this paper, we present a framework to neurally solve partial differential equations over domains with irregularly shaped (non-rectilinear) geometric boundaries. Our network takes in the shape of the domain as an input (represented using an unstructured point cloud, or any other parametric representation such as Non-Uniform Rational B-Splines) and is able to generalize to novel (unseen) irregular domains; the key technical ingredient to realizing this model is a novel approach for identifying the interior and exterior of the computational grid in a differentiable manner. We also perform a careful error analysis which reveals theoretical insights into several sources of error incurred in the model-building process. Finally, we showcase a wide variety of applications, along with favorable comparisons with ground truth solutions.

Stochastic Conservative Contextual Linear Bandits

Many physical systems have underlying safety considerations that require that the strategy deployed ensures the satisfaction of a set of constraints. Further, often we have only partial information on the state of the system. We study the problem of safe real-time decision making under uncertainty. In this paper, we formulate a conservative stochastic contextual bandit formulation for real-time decision making when an adversary chooses a distribution on the set of possible contexts and the learner is subject to certain safety/performance constraints. The learner observes only the context distribution and the exact context is unknown, and the goal is to develop an algorithm that selects a sequence of optimal actions to maximize the cumulative reward without violating the safety constraints at any time step. By leveraging the UCB algorithm for this setting, we propose a conservative linear UCB algorithm for stochastic bandits with context distribution. We prove an upper bound on the regret of the algorithm and show that it can be decomposed into three terms: (i) an upper bound for the regret of the standard linear UCB algorithm, (ii) a constant term (independent of time horizon) that accounts for the loss of being conservative in order to satisfy the safety constraint, and (ii) a constant term (independent of time horizon) that accounts for the loss for the contexts being unknown and only the distribution being known. To validate the performance of our approach we perform extensive simulations on synthetic data and on real-world maize data collected through the Genomes to Fields (G2F) initiative.

NeuFENet: Neural Finite Element Solutions with Theoretical Bounds for Parametric PDEs

We consider a mesh-based approach for training a neural network to produce field predictions of solutions to parametric partial differential equations (PDEs). This approach contrasts current approaches for "neural PDE solvers" that employ collocation-based methods to make point-wise predictions of solutions to PDEs. This approach has the advantage of naturally enforcing different boundary conditions as well as ease of invoking well-developed PDE theory -- including analysis of numerical stability and convergence -- to obtain capacity bounds for our proposed neural networks in discretized domains. We explore our mesh-based strategy, called NeuFENet, using a weighted Galerkin loss function based on the Finite Element Method (FEM) on a parametric elliptic PDE. The weighted Galerkin loss (FEM loss) is similar to an energy functional that produces improved solutions, satisfies a priori mesh convergence, and can model Dirichlet and Neumann boundary conditions. We prove theoretically, and illustrate with experiments, convergence results analogous to mesh convergence analysis deployed in finite element solutions to PDEs. These results suggest that a mesh-based neural network approach serves as a promising approach for solving parametric PDEs with theoretical bounds.

Differentiable Spline Approximations

The paradigm of differentiable programming has significantly enhanced the scope of machine learning via the judicious use of gradient-based optimization. However, standard differentiable programming methods (such as autodiff) typically require that the machine learning models be differentiable, limiting their applicability. Our goal in this paper is to use a new, principled approach to extend gradient-based optimization to functions well modeled by splines, which encompass a large family of piecewise polynomial models. We derive the form of the (weak) Jacobian of such functions and show that it exhibits a block-sparse structure that can be computed implicitly and efficiently. Overall, we show that leveraging this redesigned Jacobian in the form of a differentiable "layer" in predictive models leads to improved performance in diverse applications such as image segmentation, 3D point cloud reconstruction, and finite element analysis.

Distributed Multigrid Neural Solvers on Megavoxel Domains

We consider the distributed training of large-scale neural networks that serve as PDE solvers producing full field outputs. We specifically consider neural solvers for the generalized 3D Poisson equation over megavoxel domains. A scalable framework is presented that integrates two distinct advances. First, we accelerate training a large model via a method analogous to the multigrid technique used in numerical linear algebra. Here, the network is trained using a hierarchy of increasing resolution inputs in sequence, analogous to the 'V', 'W', 'F', and 'Half-V' cycles used in multigrid approaches. In conjunction with the multi-grid approach, we implement a distributed deep learning framework which significantly reduces the time to solve. We show the scalability of this approach on both GPU (Azure VMs on Cloud) and CPU clusters (PSC Bridges2). This approach is deployed to train a generalized 3D Poisson solver that scales well to predict output full-field solutions up to the resolution of 512x512x512 for a high dimensional family of inputs.