Geometry Matters: Benchmarking Scientific ML Approaches for Flow Prediction around Complex Geometries

Rapid yet accurate simulations of fluid dynamics around complex geometries is critical in a variety of engineering and scientific applications, including aerodynamics and biomedical flows. However, while scientific machine learning (SciML) has shown promise, most studies are constrained to simple geometries, leaving complex, real-world scenarios underexplored. This study addresses this gap by benchmarking diverse SciML models, including neural operators and vision transformer-based foundation models, for fluid flow prediction over intricate geometries. Using a high-fidelity dataset of steady-state flows across various geometries, we evaluate the impact of geometric representations -- Signed Distance Fields (SDF) and binary masks -- on model accuracy, scalability, and generalization. Central to this effort is the introduction of a novel, unified scoring framework that integrates metrics for global accuracy, boundary layer fidelity, and physical consistency to enable a robust, comparative evaluation of model performance. Our findings demonstrate that foundation models significantly outperform neural operators, particularly in data-limited scenarios, and that SDF representations yield superior results with sufficient training data. Despite these advancements, all models struggle with out-of-distribution generalization, highlighting a critical challenge for future SciML applications. By advancing both evaluation methodologies and modeling capabilities, this work paves the way for robust and scalable ML solutions for fluid dynamics across complex geometries.

STITCH: Surface reconstrucTion using Implicit neural representations with Topology Constraints and persistent Homology

We present STITCH, a novel approach for neural implicit surface reconstruction of a sparse and irregularly spaced point cloud while enforcing topological constraints (such as having a single connected component). We develop a new differentiable framework based on persistent homology to formulate topological loss terms that enforce the prior of a single 2-manifold object. Our method demonstrates excellent performance in preserving the topology of complex 3D geometries, evident through both visual and empirical comparisons. We supplement this with a theoretical analysis, and provably show that optimizing the loss with stochastic (sub)gradient descent leads to convergence and enables reconstructing shapes with a single connected component. Our approach showcases the integration of differentiable topological data analysis tools for implicit surface reconstruction.

Soybean Maturity Prediction using 2D Contour Plots from Drone based Time Series Imagery

Plant breeding programs require assessments of days to maturity for accurate selection and placement of entries in appropriate tests. In the early stages of the breeding pipeline, soybean breeding programs assign relative maturity ratings to experimental varieties that indicate their suitable maturity zones. Traditionally, the estimation of maturity value for breeding varieties has involved breeders manually inspecting fields and assessing maturity value visually. This approach relies heavily on rater judgment, making it subjective and time-consuming. This study aimed to develop a machine-learning model for evaluating soybean maturity using UAV-based time-series imagery. Images were captured at three-day intervals, beginning as the earliest varieties started maturing and continuing until the last varieties fully matured. The data collected for this experiment consisted of 22,043 plots collected across three years (2021 to 2023) and represent relative maturity groups 1.6 - 3.9. We utilized contour plot images extracted from the time-series UAV RGB imagery as input for a neural network model. This contour plot approach encoded the temporal and spatial variation within each plot into a single image. A deep learning model was trained to utilize this contour plot to predict maturity ratings. This model significantly improves accuracy and robustness, achieving up to 85% accuracy. We also evaluate the model's accuracy as we reduce the number of time points, quantifying the trade-off between temporal resolution and maturity prediction. The predictive model offers a scalable, objective, and efficient means of assessing crop maturity, enabling phenomics and ML approaches to reduce the reliance on manual inspection and subjective assessment. This approach enables the automatic prediction of relative maturity ratings in a breeding program, saving time and resources.

Robust soybean seed yield estimation using high-throughput ground robot videos

We present a novel method for soybean (Glycine max (L.) Merr.) yield estimation leveraging high throughput seed counting via computer vision and deep learning techniques. Traditional methods for collecting yield data are labor-intensive, costly, prone to equipment failures at critical data collection times, and require transportation of equipment across field sites. Computer vision, the field of teaching computers to interpret visual data, allows us to extract detailed yield information directly from images. By treating it as a computer vision task, we report a more efficient alternative, employing a ground robot equipped with fisheye cameras to capture comprehensive videos of soybean plots from which images are extracted in a variety of development programs. These images are processed through the P2PNet-Yield model, a deep learning framework where we combined a Feature Extraction Module (the backbone of the P2PNet-Soy) and a Yield Regression Module to estimate seed yields of soybean plots. Our results are built on three years of yield testing plot data - 8500 in 2021, 2275 in 2022, and 650 in 2023. With these datasets, our approach incorporates several innovations to further improve the accuracy and generalizability of the seed counting and yield estimation architecture, such as the fisheye image correction and data augmentation with random sensor effects. The P2PNet-Yield model achieved a genotype ranking accuracy score of up to 83%. It demonstrates up to a 32% reduction in time to collect yield data as well as costs associated with traditional yield estimation, offering a scalable solution for breeding programs and agricultural productivity enhancement.

Disentangling Genotype and Environment Specific Latent Features for Improved Trait Prediction using a Compositional Autoencoder

This study introduces a compositional autoencoder (CAE) framework designed to disentangle the complex interplay between genotypic and environmental factors in high-dimensional phenotype data to improve trait prediction in plant breeding and genetics programs. Traditional predictive methods, which use compact representations of high-dimensional data through handcrafted features or latent features like PCA or more recently autoencoders, do not separate genotype-specific and environment-specific factors. We hypothesize that disentangling these features into genotype-specific and environment-specific components can enhance predictive models. To test this, we developed a compositional autoencoder (CAE) that decomposes high-dimensional data into distinct genotype-specific and environment-specific latent features. Our CAE framework employs a hierarchical architecture within an autoencoder to effectively separate these entangled latent features. Applied to a maize diversity panel dataset, the CAE demonstrates superior modeling of environmental influences and 5-10 times improved predictive performance for key traits like Days to Pollen and Yield, compared to the traditional methods, including standard autoencoders, PCA with regression, and Partial Least Squares Regression (PLSR). By disentangling latent features, the CAE provides powerful tool for precision breeding and genetic research. This work significantly enhances trait prediction models, advancing agricultural and biological sciences.

FlowBench: A Large Scale Benchmark for Flow Simulation over Complex Geometries

Simulating fluid flow around arbitrary shapes is key to solving various engineering problems. However, simulating flow physics across complex geometries remains numerically challenging and computationally resource-intensive, particularly when using conventional PDE solvers. Machine learning methods offer attractive opportunities to create fast and adaptable PDE solvers. However, benchmark datasets to measure the performance of such methods are scarce, especially for flow physics across complex geometries. We introduce FlowBench, a dataset for neural simulators with over 10K samples, which is currently larger than any publicly available flow physics dataset. FlowBench contains flow simulation data across complex geometries (\textit{parametric vs. non-parametric}), spanning a range of flow conditions (\textit{Reynolds number and Grashoff number}), capturing a diverse array of flow phenomena (\textit{steady vs. transient; forced vs. free convection}), and for both 2D and 3D. FlowBench contains over 10K data samples, with each sample the outcome of a fully resolved, direct numerical simulation using a well-validated simulator framework designed for modeling transport phenomena in complex geometries. For each sample, we include velocity, pressure, and temperature field data at 3 different resolutions and several summary statistics features of engineering relevance (such as coefficients of lift and drag, and Nusselt numbers). %Additionally, we include masks and signed distance fields for each shape. We envision that FlowBench will enable evaluating the interplay between complex geometry, coupled flow phenomena, and data sufficiency on the performance of current, and future, neural PDE solvers. We enumerate several evaluation metrics to help rank order the performance of neural PDE solvers. We benchmark the performance of several baseline methods including FNO, CNO, WNO, and DeepONet.

AgGym: An agricultural biotic stress simulation environment for ultra-precision management planning

Agricultural production requires careful management of inputs such as fungicides, insecticides, and herbicides to ensure a successful crop that is high-yielding, profitable, and of superior seed quality. Current state-of-the-art field crop management relies on coarse-scale crop management strategies, where entire fields are sprayed with pest and disease-controlling chemicals, leading to increased cost and sub-optimal soil and crop management. To overcome these challenges and optimize crop production, we utilize machine learning tools within a virtual field environment to generate localized management plans for farmers to manage biotic threats while maximizing profits. Specifically, we present AgGym, a modular, crop and stress agnostic simulation framework to model the spread of biotic stresses in a field and estimate yield losses with and without chemical treatments. Our validation with real data shows that AgGym can be customized with limited data to simulate yield outcomes under various biotic stress conditions. We further demonstrate that deep reinforcement learning (RL) policies can be trained using AgGym for designing ultra-precise biotic stress mitigation strategies with potential to increase yield recovery with less chemicals and lower cost. Our proposed framework enables personalized decision support that can transform biotic stress management from being schedule based and reactive to opportunistic and prescriptive. We also release the AgGym software implementation as a community resource and invite experts to contribute to this open-sourced publicly available modular environment framework. The source code can be accessed at: https://github.com/SCSLabISU/AgGym.

AgEval: A Benchmark for Zero-Shot and Few-Shot Plant Stress Phenotyping with Multimodal LLMs

Plant stress phenotyping traditionally relies on expert assessments and specialized models, limiting scalability in agriculture. Recent advances in multimodal large language models (LLMs) offer potential solutions to this challenge. We present AgEval, a benchmark comprising 12 diverse plant stress phenotyping tasks, to evaluate these models' capabilities. Our study assesses zero-shot and few-shot in-context learning performance of state-of-the-art models, including Claude, GPT, Gemini, and LLaVA. Results show significant performance improvements with few-shot learning, with F1 scores increasing from 46.24% to 73.37% in 8-shot identification for the best-performing model. Few-shot examples from other classes in the dataset have negligible or negative impacts, although having the exact category example helps to increase performance by 15.38%. We also quantify the consistency of model performance across different classes within each task, finding that the coefficient of variance (CV) ranges from 26.02% to 58.03% across models, implying that subject matter expertise is needed - of 'difficult' classes - to achieve reliability in performance. AgEval establishes baseline metrics for multimodal LLMs in agricultural applications, offering insights into their promise for enhancing plant stress phenotyping at scale. Benchmark and code can be accessed at: https://anonymous.4open.science/r/AgEval/

Slice-100K: A Multimodal Dataset for Extrusion-based 3D Printing

G-code (Geometric code) or RS-274 is the most widely used computer numerical control (CNC) and 3D printing programming language. G-code provides machine instructions for the movement of the 3D printer, especially for the nozzle, stage, and extrusion of material for extrusion-based additive manufacturing. Currently there does not exist a large repository of curated CAD models along with their corresponding G-code files for additive manufacturing. To address this issue, we present SLICE-100K, a first-of-its-kind dataset of over 100,000 G-code files, along with their tessellated CAD model, LVIS (Large Vocabulary Instance Segmentation) categories, geometric properties, and renderings. We build our dataset from triangulated meshes derived from Objaverse-XL and Thingi10K datasets. We demonstrate the utility of this dataset by finetuning GPT-2 on a subset of the dataset for G-code translation from a legacy G-code format (Sailfish) to a more modern, widely used format (Marlin). SLICE-100K will be the first step in developing a multimodal foundation model for digital manufacturing.

Arboretum: A Large Multimodal Dataset Enabling AI for Biodiversity

We introduce Arboretum, the largest publicly accessible dataset designed to advance AI for biodiversity applications. This dataset, curated from the iNaturalist community science platform and vetted by domain experts to ensure accuracy, includes 134.6 million images, surpassing existing datasets in scale by an order of magnitude. The dataset encompasses image-language paired data for a diverse set of species from birds (Aves), spiders/ticks/mites (Arachnida), insects (Insecta), plants (Plantae), fungus/mushrooms (Fungi), snails (Mollusca), and snakes/lizards (Reptilia), making it a valuable resource for multimodal vision-language AI models for biodiversity assessment and agriculture research. Each image is annotated with scientific names, taxonomic details, and common names, enhancing the robustness of AI model training. We showcase the value of Arboretum by releasing a suite of CLIP models trained using a subset of 40 million captioned images. We introduce several new benchmarks for rigorous assessment, report accuracy for zero-shot learning, and evaluations across life stages, rare species, confounding species, and various levels of the taxonomic hierarchy. We anticipate that Arboretum will spur the development of AI models that can enable a variety of digital tools ranging from pest control strategies, crop monitoring, and worldwide biodiversity assessment and environmental conservation. These advancements are critical for ensuring food security, preserving ecosystems, and mitigating the impacts of climate change. Arboretum is publicly available, easily accessible, and ready for immediate use. Please see the \href{https://baskargroup.github.io/Arboretum/}{project website} for links to our data, models, and code.