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At least 217 records · Page 12

Characterization of Fuel Cladding Chemical Interaction on a High Burnup U-10Zr Metallic Fuel via Electron Energy Loss Spectroscopy Enhanced by Machine Learning

Fuel cladding chemical interaction (FCCI) is one of the main performance limiting factors for metallic nuclear fuels. The interaction destabilizes the martensitic microstructure and deteriorates mechanical properties of HT-9 cladding. The detection of low atomic number elements (Z<10) and overlapping of elemental peaks can be problematic in interpreting energy dispersive X-ray spectroscopy (EDS) data. Electron energy loss spectroscopy (EELS) provides precise elemental edge energy values and can detect elements with a low atomic number. This work utilizes EELS to study the distribution of lanthanides and light elements at the interaction region. The sample was prepared from the FCCI region of a U-10Zr (wt.%) solid fuel with HT-9 cladding, irradiated to a burnup of 13.2 at.%. Processing the EELS data included three major steps: 1) enhance the signal to noise ratio by denoising the spectrum with principal component analysis (PCA) method, removing background and performing deconvolution; 2) identify chemical elements with core energy loss edges; 3) confirm different phases using a popular machine learning method, K-means. This work presents qualitative assessment of lanthanides and light elements like carbon (C) and oxygen (O) enhanced by the application of machine learning algorithms. By comparing with EDS elemental maps, EELS provides higher resolution chemical maps, reveals the distribution of carbon at the interaction region supporting the formation of zirconium carbide, a rind-like microstructure feature that was proposed to mitigate the chemical interaction. Furthermore, the plasmon peak map was also found to indicate an energy shift associated with the formation of phases/compounds. K-means clustering method was used on the processed electron energy loss (EEL) spectrum to automatically reveal different phases. The resulting clustered maps from K-means clustering align well with elemental maps confirming certain phases, especially Fe-Ce and Zr-C, in the FCCI region.

EELS↗

Genomic factors shaping codon usage across the Saccharomycotina subphylum

Codon usage bias, or the unequal use of synonymous codons, is observed across genes, genomes, and between species. It has been implicated in many cellular functions, such as translation dynamics and transcript stability, but can also be shaped by neutral forces. We characterized codon usage across 1,154 strains from 1,051 species from the fungal subphylum Saccharomycotina to gain insight into the biases, molecular mechanisms, evolution, and genomic features contributing to codon usage patterns. We found a general preference for A/T-ending codons and correlations between codon usage bias, GC content, and tRNA-ome size. Codon usage bias is distinct between the 12 orders to such a degree that yeasts can be classified with an accuracy >90% using a machine learning algorithm. We also characterized the degree to which codon usage bias is impacted by translational selection. We found it was influenced by a combination of features, including the number of coding sequences, BUSCO count, and genome length. Our analysis also revealed an extreme bias in codon usage in the Saccharomycodales associated with a lack of predicted arginine tRNAs that decode CGN codons, leaving only the AGN codons to encode arginine. Analysis of Saccharomycodales gene expression, tRNA sequences, and codon evolution suggests that avoidance of the CGN codons is associated with a decline in arginine tRNA function. Consistent with previous findings, codon usage bias within the Saccharomycotina is shaped by genomic features and GC bias. However, we find cases of extreme codon usage preference and avoidance along yeast lineages, suggesting additional forces may be shaping the evolution of specific codons.

59 BASIC BIOLOGICAL SCIENCES↗

Identifying Vehicle Signals in Continuous Seismic Data Using Unsupervised Machine-Learning Techniques

Seismic sensors deployed near roadways effectively capture ground vibrations generated by passing vehicles. Although both traditional and machine‐learning algorithms have been utilized for analyzing such signals, independent validation of detected vehicle events remains limited. We applied two unsupervised machine‐learning algorithms, uniform manifold approximation and projection for dimension reduction, and hierarchical density‐based spatial clustering of applications with noise, to continuous seismic data collected along a road on the main campus of Oak Ridge National Laboratory. The algorithms identified seven distinct cluster labels across the entire dataset. By comparing these cluster labels with precipitation records from a nearby weather station and image‐derived labels from a local camera system, we identified one cluster associated with rainfall and another with vehicle activity. Our algorithms identified a greater number of vehicle‐related labels compared to the camera‐derived labels because seismic data are unaffected by poor lighting conditions. The arrival times of the newly detected vehicle signals corresponded well with the road’s speed limit, supporting our findings. Our algorithm outperformed the short‐term average/long‐term average method and k‐means clustering. Our results suggest that seismic data, when analyzed with machine‐learning algorithms, can complement existing vehicle monitoring systems, particularly under challenging environmental conditions.

Chai, Chengping [Oak Ridge National Laboratory (OR↗

Teaching Nonradiative Transitions with MATLAB and Python

Nonradiative transitions are changes in energy states of atoms, ions, or molecules that do not involve the emission or absorption of photons. Despite their importance in understanding luminescent properties and photochemical reaction mechanisms, nonradiative transitions are rarely given more than a qualitative overview in undergraduate and even graduate physical chemistry curricula. To supplement the coverage of nonradiative transition topics, we provide here a set of active learning exercises to help students develop an intuitive understanding of the factors that determine the rate of nonradiative transitions. Here, we start by outlining the theoretical background through the formulations of the Franck–Condon factor and its relation to the rate of nonradiative transition. We then introduce three teaching modules, with associated MATLAB and Python codes, to explore how (1) the excited state nuclear displacement, (2) the electronic energy gap between excited and ground state and (3) the excited/ground state vibrational mode frequencies affect the magnitude of the Franck–Condon factor and thereby the rate of nonradiative transitions. The wave function overlap plots that accompany all teaching modules provide direct visualization of the effect of input parameters on the magnitude of Franck–Condon overlap integral.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Elucidating Abnormal Grain Growth in Thermomagnetic Processed Materials with Transfer Learning and Reinforcement Learning

The goal of this research program is to establish the mechanism governing local grain boundary motion, which is needed to design and process desirable microstructures for better performance, by identifying the relative contributions of grain boundary (GB) energy and mobility to grain growth. Classical models for grain growth assume that the primary mechanism for reducing the total interfacial energy is area reduction and that GB restructuring is not significant. This assumption implies that grain growth is locally driven by curvature. However, recent experimental observations using new non-destructive 3D x-ray diffraction microscopy techniques (3D-XRM) reveal that classic descriptors (i.e., curvature, number of neighbors, grain size) do not predict real grain growth. Instead, local GB motion appears to be governed by its energy relative to its neighbors such that low-energy boundaries replace those of higher energy. However, simulations that incorporate GB energy anisotropy still fail to reproduce these observations. These discrepancies suggest that the common assumption for grain growth theory must be re-examined to predict and, thus, control microstructure evolution in real polycrystals. A significant challenge to testing this assumption is due to anisotropic GB mobility. Mobility may cause abnormal grain growth or affect the final grain shapes or growth rate but its true contributions are unknown because it is difficult to measure. For example, observations in Fe have found that grains associated with high energy and high mobility boundaries tend to experience abnormal grain growth, whereas abnormal grain growth is associated with low energy and high mobility boundaries in alumina. As mobility and energy both control GB motion, it is challenging to isolate the local driving forces necessary to test the common assumption that the primary mechanism is area reduction. The novelty of this work is the use of machine learning tools to capture GB mobility and energy from 3D-XRM measurements in polycrystals to test the common assumption used in grain growth models. Machine learning can capture high-order correlations in dynamic systems like those found in the evolving GB topology. The PIs have developed a physics-regularized interpretable machine learning microstructure evolution (PRIMME) model that accurately replicates the grain growth behavior of its trained data set.

36 MATERIALS SCIENCE↗

Characterizing climate pathways using feature importance on echo state networks

The 2022 National Defense Strategy of the United States listed climate change as a serious threat to national security. Climate intervention methods, such as stratospheric aerosol injection, have been proposed as mitigation strategies, but the downstream effects of such actions on a complex climate system are not well understood. The development of algorithmic techniques for quantifying relationships between source and impact variables related to a climate event (i.e., a climate pathway) would help inform policy decisions. Data-driven deep learning models have become powerful tools for modeling highly nonlinear relationships and may provide a route to characterize climate variable relationships. In this paper, we explore the use of an echo state network (ESN) for characterizing climate pathways. ESNs are a computationally efficient neural network variation designed for temporal data, and recent work proposes ESNs as a useful tool for forecasting spatiotemporal climate data. However, ESNs are noninterpretable black-box models along with other neural networks. The lack of model transparency poses a hurdle for understanding variable relationships. We address this issue by developing feature importance methods for ESNs in the context of spatiotemporal data to quantify variable relationships captured by the model. We conduct a simulation study to assess and compare the feature importance techniques, and we demonstrate the approach on reanalysis climate data. In the climate application, we consider a time period that includes the 1991 volcanic eruption of Mount Pinatubo. This event was a significant stratospheric aerosol injection, which acts as a proxy for an anthropogenic stratospheric aerosol injection. Furthermore, we are able to use the proposed approach to characterize relationships between pathway variables associated with this event that agree with relationships previously identified by climate scientists.

black-box models↗

Gradient flow based phase-field modeling using separable neural networks

Allen–Cahn equation is a reaction–diffusion equation and is widely used for modeling phase separation. Machine learning methods for solving the Allen–Cahn equation in its strong form suffer from inaccuracies in collocation techniques, errors in computing higher-order spatial derivatives, and the large system size required by the space–time approach. To overcome these challenges, we propose solving the gradient flow of the Ginzburg–Landau free energy functional, which is equivalent to the Allen–Cahn equation, thereby avoiding the second-order spatial derivatives associated with the Allen–Cahn equation. A minimizing movement scheme is employed to solve the gradient flow problem, eliminating the complexities of a space–time approach. We utilize a separable neural network that efficiently represents the phase field through low-rank tensor decomposition. As we use the minimizing movement scheme to numerically solve the gradient flow problem, we thus, refer to the proposed method as the Separable Deep Minimizing Movement (SDMM) method. The evaluation of the functional in the minimizing movement scheme using the Gauss quadrature technique bypasses the inaccuracies associated with collocation techniques traditionally used to solve partial differential equations. A hyperbolic tangent transformation is introduced on the phase field prior to the evaluation of the functional to ensure that it remains strictly bounded within the values of the two phases. For this transformation, theoretical guarantee for energy stability of the minimizing movement scheme is established. Our results suggest that this transformation helps to improve the accuracy and efficiency significantly. The proposed method resolves the challenges faced by state-of-the-art machine learning techniques, outperforming them in both accuracy and efficiency. It is also the first machine learning method to achieve an order of magnitude speed improvement over the finite element method. In addition to its formulation and computational implementation, several case studies illustrate the applicability of the proposed method.

42 ENGINEERING↗

Preliminary Results on Bayesian Inverse UQ for OECD/NEA WPNCS Subgroup 14 Benchmark Exercise for Error Recovery and Experimental Coverage

The Organization for Economic Cooperation and Development (OECD) Working Party on Nucelar Criticality Safety (WPNCS) has proposed a benchmark exercise representative of neutronic behavior in criticality experiments. Here, the goal is to develop confidence in data assimilation techniques used to adjust nuclear data. Participants are given synthetic experimental models with associated measured data and asked to estimate the model parameters given the model and measurements as well as provide predictions for separate application models. In this work, we performed data assimilation using Bayesian inverse Uncertainty Quantification (UQ) with machine learning surrogate models to produce posterior parameter distributions for the requested parameters and posterior predictive distributions for the requested responses. Several experimental models are shown to insufficiently inform the posterior parameter distributions for the applications involved. However, given sufficient experimental data, posterior parameter estimates yielded reduced uncertainty in the response predictions of interest while covering the experimental data.

Bayesian Inference↗

Unraveling Hydrogen Induced Geochemical Reaction Mechanisms through Coupled Geochemical Modeling and Machine Learning

Underground hydrogen storage (UHS) provides a promising large-scale, long-term energy storage solution. A reasonable recovery of stored hydrogen is critical for a successful storage scheme. However, in subsurface reservoirs hydrogen is subject to active geochemical reactions that might result in hydrogen loss. In this study, we implemented a geochemical modeling approach coupled with an unsupervised machine learning technique called non-negative matrix factorization (NMF) to unravel the complex brine-rock-H 2 geochemical processes responsible for hydrogen losses, with particular focus on sulfate reduction reactions. NMF is applied to modeled mineral evolution and fluid component profiles to retrieve profiles that can be interpreted to more easily assess competing processes. NMF decouples simulated competing equilibrium reactions. This facilitates separation of overlapping reaction profiles from redox processes, dissolution fronts, and secondary precipitation while considering the effects of simulation parameters such as salinity, temperature, and total H 2 pressure. NMF successfully discriminates these competing effects in nonlinear ways, allowing robust interpretation. In addition, NMF reveals subtle coupled mineral associations and reaction fronts that are invisible to conventional model analysis. This integrated approach strengthens the conceptual understanding of complex nonlinear hydrogen-brine-rock interactions and advances geochemical research on UHS systems to resolve complexities in modeled geochemical systems without the need for direct experiments or prior knowledge. Furthermore, this study highlights the efficacy of combining geochemical modeling with machine learning techniques to enhance the interpretability of the intricate geochemical simulation output through deciphering the overlapping reaction path that cannot be achieved only using conventional analysis of geochemical models alone.

08 HYDROGEN↗

FEW questions, many answers: using machine learning to assess how students connect food–energy–water (FEW) concepts

There is growing support and interest in postsecondary interdisciplinary environmental education which integrate concepts and disciplines in addition to providing varied perspectives. There is a need to assess student learning in these programs as well as rigorous evaluation of educational practices, especially of complex synthesis concepts. This work tests a text classification machine learning model as a tool to assess student systems thinking capabilities using two questions anchored by the Food-Energy-Water (FEW) Nexus phenomena by answering two questions (1) Can machine learning models be used to identify instructor-determined important concepts in student responses? (2) What do college students know about the interconnections between food, energy and water, and how have students assimilated systems thinking into their constructed responses about FEW? Reported here are a broad range of model performances across 26 text classification models associated with two different assessment items, with model accuracy ranging from 0.755 to 0.992. Expert-like responses were infrequent in our dataset compared to responses providing simpler, incomplete explanations of the systems presented in the question. For those students moving from describing individual effects to multiple effects, their reasoning about the mechanism behind the system indicates advanced systems thinking ability. Specifically, students exhibit higher expertise for explaining changing water usage than discussing tradeoffs for such changing usage. This research represents one of the first attempts to assess the links between foundational, discipline-specific concepts and systems thinking ability. These text classification approaches to scoring student FEW Nexus Constructed Responses (CR) indicate how these approaches can be used, in addition to several future research priorities for interdisciplinary, practice-based education research. Development of further complex question items using machine learning would allow evaluation of the relationship between foundational concept understanding and integration of those concepts as well as more nuanced understanding of student comprehension of complex interdisciplinary concepts.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

An Assessment of the Error Due to Computing Waste Isolation Pilot Plant Porosity Using the Porosity Response Surface Approach

The Waste Isolation Pilot Plant Performance Assessment (WIPP PA) must predict the likelihood that radionuclides will escape into the biosphere via mechanisms that depend on geohydraulic flow. Ideally, one would predict the geohydraulic flow using coupled geohydraulic and geomechanical simulations, but such coupled simulations are not computationally tractable. Instead, Sandia has historically used a look-up table of porosities for a given fluid pressure and time, called the porosity response surface, but this approach can introduce porosity errors because it largely ignores the porosity’s dependence on the past fluid pressure history. This report discusses efforts to quantify these porosity errors for both the legacy and new porosity response surfaces. Six hundred different fluid pressure histories were fed through the legacy/new geomechanical model and the legacy/new porosity response surface to generate six hundred porosity error histories. The error associated with the legacy porosity surface was substantial, while the error associated with the new porosity surface was typically small, except when fluid pressures exceeded the lithostatic pressure at the repository. In response to the errors at high pressures, a preliminary study of the WIPP PA’s sensitivity to these porosity errors was conducted. The study found that reducing the porosity errors at high pressures negligibly affected predictions of radionuclide releases. Finally, an initial machine-learned model for porosity was developed. This ML model significantly reduced the porosity error at high pressures, but sizable errors remained, so more development is necessary before coupling an ML model to the geohydraulic model.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A comparison of surrogate constitutive models for viscoplastic creep simulation of HT-9 steel

Mechanistic microstructure-informed constitutive models for the mechanical response of polycrystals are a cornerstone of computational materials science. However, as these models become increasingly more complex – often involving coupled differential equations describing the effect of specific deformation modes – their associated computational costs can become prohibitive, particularly in optimization or uncertainty quantification tasks that require numerous model evaluations. To address this challenge, surrogate constitutive models that balance accuracy and computational efficiency are highly desirable. Data-driven surrogate models, that learn the constitutive relation directly from data, have emerged as a promising solution. In this work, we develop two local surrogate models for the viscoplastic response of a steel: a piecewise response surface method and a mixture of experts model. These surrogates are designed to adapt to complex material behavior, which may vary with material parameters or operating conditions. The surrogate constitutive models are applied to creep simulations of HT-9 steel, an alloy of considerable interest to the nuclear energy sector due to its high tolerance to radiation damage, using training data generated from viscoplastic self-consistent (VPSC) simulations. In conclusion, we define a set of test metrics to numerically assess the accuracy of our surrogate models for predicting viscoplastic material behavior, and show that the mixture of experts model outperforms the piecewise response surface method in terms of accuracy.

36 MATERIALS SCIENCE↗

Overview of the KSTAR experiments toward fusion reactor

The Korean Superconducting Tokamak Advanced Research has been focused on exploring the key physics and engineering issues for future fusion reactors by demonstrating the long pulse operation of high beta steady-state discharge. Advanced scenarios are being developed with the goal for steady-state operation, and significant progress has been made in high ℓ i , hybrid and high beta scenarios with β N of 3. In the new operation scenario called fast ion regulated enhanced (FIRE), fast ions play an essential role in confinement enhancement. GK simulations show a significant reduction of the thermal energy flux when the thermal ion fraction decreases and the main ion density gradient is reversed by the fast ions in FIRE mode. Optimization of 3D magnetic field techniques, including adaptive control and real-time machine learning control algorithm, enabled long-pulse operation and high-performance ELM-suppressed discharge. Symmetric multiple shattered pellet injections (SPIs) and real-time disruption event characterization and forecasting are being performed to mitigate and avoid the disruptions associated with high-performance, long-pulse ITER-like scenarios. Finally, the near-term research plan will be addressed with the actively cooled tungsten divertor, a major upgrade of the NBI and helicon current drive heating, and transition to a full metallic wall.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

MSD CoP Webinar: Advancing MSD Research with Artificial Intelligence

Context: This webinar was hosted by the MultiSector Dynamics Community of Practice (MSD CoP; https://multisectordynamics.org). Abstract: Recent advances in Artificial Intelligence (AI) are quickly changing the landscape of tools available to conceptualize, execute, and disseminate research. We posit that research efforts in Multi-Sector Dynamics can benefit from these advances; the new AI in MSD Working Group thus aims to identify and quantify opportunities and risks associated with their implementation. In this webinar, we will first introduce the new AI Working Group, which was initially conceived during the first MSD workshop in October 2023. Next, our panelists will explore how generative AI, explainable AI, and machine learning can help us improve modeling efforts in multiple domains, including climate science, hydrology, and energy systems. Finally, we will discuss the aims of the working group, gather inputs from the community, and suggest directions for the next steps. Presenters : Andrea Castelletti (Politecnico di Milano; Invited Speaker), Chaopeng Shen (Pennsylvania State University; Invited Speaker), Nicole Jackson (Sandia National Laboratory; Invited Speaker), Stefano Galelli (Cornell University; Co-Chair), David Gold (Utrecht University; Co-Chair), Jillian Sturtevant (Baylor University; Communications Officer) Moderator: Pat M. Reed (MSD CoP Facilitation Team) This webinar was held on: June 14th, 2024 from 12-1:30 PM EST

Artificial Intelligence↗

Probabilistic data fusion and physics-informed machine learning: A new paradigm for modeling under uncertainty, and its application to accelerating the discovery of new materials

In this report we summarize the work conducted by PI Perdikaris and his group under this Early Career project DE–SC0019116 during the period of 09/01/2018 – 08/31/2023. The central aim of the work was to introduce a new paradigm for scientific data analysis that can seamlessly synthesize rigorous mathematical modeling with data of variable fidelity (e.g., measurements at multiple scales/resolutions or predictions of variable fidelity models) and multiple modalities (e.g., images, time–series, or scattered measurements). The setting we are interested in involves complex systems that are partially observed and whose dynamical behavior could be hard to model or totally unknown. The inherent uncertainty associated with this setting necessitates a departure from the classical deterministic realm of modeling and scientific computation, and, consequently, our main building blocks can no longer be crisp deterministic numbers and governing laws, but instead we must operate with probabilistic models.

97 MATHEMATICS AND COMPUTING↗

Harnessing the Power of Machine Learning and Omics to Identify Environmental Regulation on Microbial Functional Composition for Soil C, N, and P Cycling

Microbial enzyme-mediated soil organic matter (SOM) decomposition regulates many key ecosystem functions, such as elemental cycling, soil carbon sequestration, and soil fertility. However, representing microbial processes in Earth system models (ESMs) remains challenging due to a limited understanding of the spatial patterns of diverse microbial functions responsible for soil carbon (C), nitrogen (N), and phosphorus (P) cycling as well as the underlying mechanisms regulating their relative abundances across various environments. We collected published metagenomics data across the continental US (CONUS) to identify hundreds of microbial genes involved in soil C, N, and P cycling and grouped them into eight enzyme functional classes (EFCs). Each EFC represented a group of gene-encoded potential enzymes that decompose similar soil compounds. By integrating the abundances of omics-informed EFCs with the corresponding environmental information, we trained a machine learning (ML) model to identify key edaphic, climate, and vegetation factors regulating the abundances of each EFC. Quantitative analysis of effects of these factors revealed that the spatial distribution of eight EFCs for soil C, N, and P cycling across CONUS reflected potential resource optimization strategies of microbial communities under nutrient limitation, preferential organic-mineral associations, and climatological stresses. This insight, together with the interpreted ML tool and the CONUS-level benchmark for EFCs abundances, paves the way for parameterizing environmental-regulated microbial functional dynamics in biogeochemical models.

machine learning↗

Situational awareness-enhancing community-level load mapping with opportunistic machine learning

Motivated by present and forthcoming challenges in the adoption and integration of distributed renewable energy, we develop a machine learning (ML) approach that builds short-fuse mappings connecting the occasionally-unobservable true load in one target community with information-rich signals collected from relatively more instrumented reference communities. Our setting is inspired by and tailored to target communities with significant unobservable behind-the-meter solar generation, where true load (a relatively well-behaved quantity of interest to grid operators) is hard to discern during daytime due to insufficient instrumentation and/or privacy reasons, but that can be related to reference communities with low unobservable distributed variable generation or with sufficient instrumentation. The developed mapping, herein realized with Support Vector Machine regression, is built using nighttime data from all communities, when their distributed generation is low or zero. Our ML algorithm opportunistically learns to correlate signals of interest and then is operationally used the next day to shed light into target community load evolution. The mapping is subsequently rebuilt, rolling its short-fuse scope perpetually forward in time. Here, we demonstrate the efficacy of our approach on nine synthetically generated topologies and associated timeseries stemming from real-world data, on which we observe cumulative error performance that yields lower than 10% and 15% daily-averaged mean absolute percentage errors in target community load estimation on more than about 75% and 90% of days, respectively, in multiple yearly evaluations that shed light on long-term performance also under seasonal and one-off effects. The proposed ML-powered methodology can offer grid operators much-improved visibility into a previously obscure space and can also serve as an additional source of information in broader, multi-modal solar disaggregation solutions.

14 SOLAR ENERGY↗

Data for Yield from Iowa’s first commercial miscanthus fields: implications of spatial variability for productivity and sustainability beyond research plots

This dataset contains biomass yield measurements and associated vegetation index data collected from commercial Miscanthus × giganteus fields in eastern Iowa during the 2022–2023 growing seasons. The data support the analyses presented in the article: “Yield From Iowa's First Commercial Miscanthus Fields: Implications of Spatial Variability for Productivity and Sustainability Beyond Research Plots.” We collected 105 ground-truth biomass samples from four mature commercial fields (>4 years old) covering 92.81 ha. Samples were taken from 3 m² quadrats that were hand-harvested in alignment with commercial harvest timing. Stem biomass (excluding leaves) was weighed, moisture-corrected, and converted to dry-matter yield expressed in Mg DM ha⁻¹. Sampling locations were selected to capture spatial variability visible in aerial imagery and were recorded using RTK GPS. Each biomass observation was paired with vegetation indices derived from high-resolution PlanetScope satellite imagery (3 m resolution). Images were acquired throughout the growing season, and indices were calculated to evaluate their ability to predict end-of-season biomass yield. Statistical and machine learning approaches were used to identify key predictors, and a linear regression model based on end-of-July Green Normalized Difference Vegetation Index (GNDVI) was developed and evaluated. This repository includes the data used in that modeling workflow. Management practices, economic data, full imagery time series, and additional methodological details are described in the associated publication and are not included here. The dataset consists of three comma-separated value (CSV) files: 1. Combine_Groundtruth_Yield_VI_22_23.csv This file contains ground-truth biomass yield measurements and associated key vegetation index values collected during the 2022 and 2023 growing seasons. Rows: 105 observations Columns: Year — Year of observation (2022 or 2023) Field — Field location identifier Sample_number — Unique sample identifier GNDVI_End_Jul — Green Normalized Difference Vegetation Index calculated at end of July GNDVI_End_Aug — Green Normalized Difference Vegetation Index calculated at end of August NDRE_End_Aug — Normalized Difference Red Edge index calculated at end of August Biomass_Stem_Yield_MgDM/ha — Measured stem biomass yield (megagrams dry matter per hectare) 2. trainData_GNDVI.csv This file contains the subset of observations used to train the predictive relationship between July GNDVI and biomass yield. Rows: 76 observations Columns: Unnamed: 0 — Row index retained from the original data processing workflow GNDVI_End_Jul — GNDVI at end of July Stem_Yield_MgDM/ha — Observed stem biomass yield (Mg DM ha⁻¹) 3. testData_GNDVI.csv This file contains the test dataset used to evaluate model performance. Rows: 29 observations Columns: Unnamed: 0 — Row index retained from the original data processing workflow GNDVI_End_Jul — GNDVI at end of July Predicted_Yield_MgDM/ha — Model-predicted stem biomass yield (Mg DM ha⁻¹) Observed_Yield_MgDM/ha — Measured stem biomass yield (Mg DM ha⁻¹)

Potential yield, yield gap, in-field management, y↗