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At least 217 records · Page 12

Dynamic Graph Sequence Data from Simulated Neutron Reflectometry Measurements

This dataset comprises dynamic graph sequences derived from simulated in-situ neutron reflectometry measurements, capturing the gradual evolution of a layer structure over time. Each graph sequence represents a synthetic sample, with node features detailing the scattering vector and corresponding reflectivity measurements, while adjacency matrices have corresponding reference material parameters attached as metadata. The dataset spans multiple sets, each with a different number of sequences, offering a comprehensive basis for training models that handle dynamic input sequences with embedded physics. This dataset is particularly suited for tackling inverse problems with hidden physical states that evolve over time, challenges that are typically difficult to address using conventional iterative fitting methods.

36 MATERIALS SCIENCE↗

Accounting for Training Data Error in Machine Learning Applied to Earth Observations

Remote sensing, or Earth Observation (EO), is increasingly used to understand Earth system dynamics and create continuous and categorical maps of biophysical properties and land cover, especially based on recent advances in machine learning (ML). ML models typically require large, spatially explicit training datasets to make accurate predictions. Training data (TD) are typically generated by digitizing polygons on high spatial-resolution imagery, by collecting in situ data, or by using pre-existing datasets. TD are often assumed to accurately represent the truth, but in practice almost always have error, stemming from (1) sample design, and (2) sample collection errors. The latter is particularly relevant for image-interpreted TD, an increasingly commonly used method due to its practicality and the increasing training sample size requirements of modern ML algorithms. TD errors can cause substantial errors in the maps created using ML algorithms, which may impact map use and interpretation. Despite these potential errors and their real-world consequences for map-based decisions, TD error is often not accounted for or reported in EO research. Here we review the current practices for collecting and handling TD. We identify the sources of TD error, and illustrate their impacts using several case studies representing different EO applications (infrastructure mapping, global surface flux estimates, and agricultural monitoring), and provide guidelines for minimizing and accounting for TD errors. To harmonize terminology, we distinguish TD from three other classes of data that should be used to create and assess ML models: training reference data, used to assess the quality of TD during data generation; validation data, used to iteratively improve models; and map reference data, used only for final accuracy assessment. We focus primarily on TD, but our advice is generally applicable to all four classes, and we ground our review in established best practices for map accuracy assessment literature. EO researchers should start by determining the tolerable levels of map error and appropriate error metrics. Next, TD error should be minimized during sample design by choosing a representative spatio-temporal collection strategy, by using spatially and temporally relevant imagery and ancillary data sources during TD creation, and by selecting a set of legend definitions supported by the data. Furthermore, TD error can be minimized during the collection of individual samples by using consensus-based collection strategies, by directly comparing interpreted training observations against expert-generated training reference data to derive TD error metrics, and by providing image interpreters with thorough application-specific training. We strongly advise that TD error is incorporated in model outputs, either directly in bias and variance estimates or, at a minimum, by documenting the sources and implications of error. TD should be fully documented and made available via an open TD repository, allowing others to replicate and assess its use. To guide researchers in this process, we propose three tiers of TD error accounting standards. Finally, we advise researchers to clearly communicate the magnitude and impacts of TD error on map outputs, with specific consideration given to the likely map audience.

58 GEOSCIENCES↗

A simple and effective five-equation two-phase numerical model for liquid-vapor phase transition in cavitating flows

Numerical difficulties, notably the non-monotonic behavior of the Wood speed of sound and the volume fraction positivity, associated with the reduced five-equation two-phase flow model of Kapila et al. (2001) [A.K. Kapila, R. Menikoff, J.B. Bdzil, S.F. Son, D.S. Stewart, 2001. Two-phase modeling of deflagration-to-detonation transition in granular materials: reduced equations, Physics of Fluids 13(10), 3002–3024] have been resolved in the past through the introduction of a frozen speed of sound and an algebraic approach for mechanical relaxation afforded by a pressure non-equilibrium six-equation model proposed by [R. Saurel, F. Petitpas, R.A. Berry, 2009. Simple and efficient relaxation methods for interfaces separating compressible fluids, cavitating flows and shocks in multiphase mixture, J. Comput. Phys. 228, 1678–1712]. By contrast, it is explored and demonstrated in this work that these difficulties can in fact still be resolved within the numerical scheme for solving the reduced five-equation model by numerically replacing the Wood speed of sound for the estimates of wave speeds in the approximate Riemann solver HLLC with the monotonic mixture speed of sound for a transport five-equation model. For shock interface (artificial mixture separating pure or nearly pure fluids) interaction problems, with the apparent advantage of monotonic behavior of the speed of sound in the interface, the effect of the numerical replacement is also confined to the interface. Differences other than the behavior of the speed of sound within the interface in the solutions due to the replacement diminish with increasing resolution when reasonable solution can be obtained with Wood speed of sound. For cavitating/expansion problems in physical fluid mixture, it is pointed out and explained why acoustics in the numerical solutions still propagate at the Wood speed of sound (therefore consistent with the reduced five-equation model) even though in some cases a much higher speed of sound like the numerical replacement above for solving the reduced five-equation model or the frozen speed of sound for solving a six-equation model is used for the estimates of wave speeds in the HLLC scheme. A variant of the five-equation two-phase flow model by Saurel et al. (2008) [R. Saurel, F. Petitpas, R. Abgrall, 2008. Modelling phase transition in metastable liquids: application to cavitating and flashing flows, J. Fluid Mech. 607, 313–350] is then constructed for liquid-vapor phase transition in cavitating flows. The relaxation toward thermo-chemical equilibrium during phase transition is achieved by solving a simple system of algebraic equations for the equilibrium state variables for better efficiency, following Pelanti and Shyue (2014) [M. Pelanti, K.-M. Shyue, 2014. A mixture-energy-consistent six-equation two-phase numerical model for fluid with interfaces, cavitation and evaporation waves. J. Comput. Phys. 259, 331–357]. Therefore, the current model retains both the simplicity afforded by the five-equation model and the efficiency of the algebraic relaxation solver. An alternative algebraic approach for handling the non-conservative term (the so-called K∇ · u term) in the reduced five-equation model for mechanical equilibrium of a liquid-vapor mixture is also explored by enforcing the thermal equilibrium at the same time. Finally, numerical results of sample tests in both one and two dimensions in the literature as well as that in three dimensions demonstrate the effectiveness and ability of the proposed model to simulate cavitating flows. An interesting mechanism of shock generation by acoustics in water due to phase transition is then found by the numerical simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Vapor phase deposition of alumina on interior surfaces of tritium storage containers

Efficient tritium management and containment are critical challenges for nuclear fusion. To mitigate issues related to permeation into structural materials and isotopic exchange with protium, permeation barriers must be applied to the nonplanar internal surfaces of tritium handling components. In this study, we developed an atomic layer deposition (ALD) system to deposit films on canisters used to store and transport tritium. Growth conditions for deposition of Al 2 O 3 were mapped spatially along the length of a canister using silicon witness samples characterized by ellipsometry, atomic force microscopy, and x-ray reflectivity (XRR). We identified ALD process windows for growth at temperatures between 100 and 140 °C. Furthermore, we compared films grown on our Si witness samples to those grown on polished stainless steel 316 (SS316). X-ray photoelectron spectroscopy indicates two distinct chemical states for the alumina, while XRR confirms that the overall growth rate is similar to the 1.1 Å/cycle that we observed on the Si witness samples.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Radiolytic Gas Generation and Pressure Buildup in a Closed System Containing Mo-99 Solution

This study measured radiolytic gas generation and pressure buildup in a sealed stainless-steel system containing alkaline Mo-99 solution with added sodium nitrate as a hydrogen suppressant. In each of two experiments, approximately 200 Ci of Mo-99 solution was transferred into a closed experimental vessel inside a hot cell, isolated, and monitored for pressure rise caused by gas generation during radioactive decay. After pressure buildup, headspace gas samples were collected and analyzed by mass spectrometry to determine hydrogen and oxygen concentrations. The purpose was to quantify the magnitude of pressure buildup in a closed system and to characterize the gas composition produced by radiolysis of the Mo-99 target solution under representative handling and storage conditions. The two experiments used similar total Mo-99 activity but differed in solution volume, headspace volume, and leak integrity. In the first experiment, 197.5 Ci of Mo-99 in 16.92 mL of solution was loaded into a vessel with a 31.1-mL headspace; a small leak was later identified, and the measured peak pressure of 46 psig was extrapolated to about 70 psig in the absence of leakage. The headspace gas from this experiment contained about 21.4% H2 and 63.4% O2, but the composition was influenced by preferential hydrogen loss through the leak. In the second experiment, 193 Ci of Mo-99 in 5.41 mL of solution with 0.46 g NaNO3 was loaded into a vessel with a larger 42.61 mL headspace, and no detectable leak was observed. This experiment reached a peak pressure of 38 psig, and the measured gas composition was approximately 28.2% H2 and 51.5% O2. Because the second experiment was leak-free, it is considered the more reliable indicator of the true pressure buildup and intrinsic radiolytic gas composition of the Mo-99 solution.

Chemerisov, Sergey D.↗

GP Cosmology Surrogate v1.0

GP Cosmology Surrogate is a Python library for building and training a generalized multi-output Gaussian process (GP) framework of @takhtaganov2021cosmic. In this approach, the surrogate is constructed sequentially, guided by a Bayesian optimization acquisition function that targets reduction of emulation error in the regions most consistent with the observational data. This adaptive design concentrates computational resources where they have the greatest impact on inference accuracy. The library supports efficient training for separable GP kernels, which allows the use of Kronecker algebra to handle high-dimensional input spaces and large numbers of correlated outputs. This makes it well suited for applications such as modeling cosmological power spectra, large-scale physical simulations, and multi-output hyperparameter tuning. By combining scalable multi-output GP modeling with data-driven adaptive sampling, GPsurrogate enables parameter inference and optimization with substantially fewer simulations than conventional space-filling designs.

Lukic, Zarija [Lawrence Berkeley National Laborato↗

SympNets: Intrinsic structure-preserving symplectic networks for identifying Hamiltonian systems

Here, we propose new symplectic networks (SympNets) for identifying Hamiltonian systems from data based on a composition of linear, activation and gradient modules. In particular, we define two classes of SympNets: the LA-SympNets composed of linear and activation modules, and the G-SympNets composed of gradient modules. Correspondingly, we prove two new universal approximation theorems that demonstrate that SympNets can approximate arbitrary symplectic maps based on appropriate activation functions. We then perform several experiments including the pendulum, double pendulum and three-body problems to investigate the expressivity and the generalization ability of SympNets. The simulation results show that even very small size SympNets can generalize well, and are able to handle both separable and non-separable Hamiltonian systems with data points resulting from short or long time steps. In all the test cases, SympNets outperform the baseline models, and are much faster in training and prediction. We also develop an extended version of SympNets to learn the dynamics from irregularly sampled data. This extended version of SympNets can be thought of as a universal model representing the solution to an arbitrary Hamiltonian system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Signatures of Biologically Driven Hemicellulose Modification Quantified by Analytical Pyrolysis Coupled with Multidimensional Gas Chromatography Mass Spectrometry

Biomass storage operation is one major source of feedstock quality variability that impacts on downstream preprocessing, feeding, handling and conversion into biofuels, chemicals and products. In field Ccorn stover biomass bales undergoes degradation and cell wall components modification resulting from microbial biological heating occurring during storage. A molecular characterization of the modification was achieved to unveil and understand the changes of structural cell wall modification in corn stover samples by conducting low temperature (400°C) pyrolysis, comparing samples that were mildly biologicallyun heated to those that had been subjected to microbial severe biological heating (~60°C). Pyrolysis of the samples originating from biomass that had been heated during storage generated small oxygenates such as furfural, 5-methylfurfural and 2-(5H)-furanone with efficiencies that were as much as ten times greater than those measured for the mildly unheated samples. Most of the compounds having enhanced efficiencies were C5 oxygenates, suggesting that the pyrolysis products may be formed from hemicellulosic precursor polymers in the corn stover. The findings suggest that microbial heating may be disrupting the cell wall structure, fragmenting the hemicellulose or cellulose chains, generating more polymer termini that have higher efficiency for generating the oxygenates at lower temperatures. Pyrolysis variability with temperature may be a beneficial strategy for improved biomass cell wall characterization, and for guiding control strategies for enhanced control over product distributions , providing insights to understand and manage the feedstock variability as well as to inform harvest and storage best management practices.

09 BIOMASS FUELS↗

Advanced modeling of field enhanced thermionic emission

Shaped emitters are of interest to a broad range of applications in vacuum electronic devices. In particular, thermionic energy converters (TECs) take advantage of shaped emitters to increase the local surface field, thereby extracting more current for a given cathode temperature and applied voltage. However, modeling these devices is challenging; Warp [J.-L. Vay, D. P. Grote, R. H. Cohen, and A. Friedman, Comput. Sci. Discov. 5, 014019 (2012)] is a fully 3D particle-in-cell code capable of handling a wide range of physics problems and is well suited to modeling TECs. Additionally, recent improvements to Warp have enabled the accurate modeling of emitters with arbitrary curved surfaces. Specifically, the inclusion of subgrid resolution for computing the electrostatic potential and the ability to apply mesh refinement for specific areas of interest allow for a more accurate solution to the fields on these surfaces. These improvements coupled with Warp’s ability to handle variable particle weights make it an ideal candidate for simulating these complex devices. In this paper, the authors study the applicability of different subgrid configurations for simulating shaped emission surfaces and field convergence for different mesh-refinement techniques. They then implement a custom weighting algorithm that allows for uniform sampling of emission surfaces with a large variation in the surface electric field. They then use this algorithm to study emission for curved emitters in both the field-enhancement regime and the space-charge regime.

Edelen, Jonathan P. (ORCID:0000000215180652)↗

Preliminary Per- and Polyfluoroalkyl Substances Sampling Plan for Pantex Plant

Leidos prepared this Preliminary Per- and Polyfluoroalkyl Substances (PFAS) Sampling Plan for the U.S Department of Energy (DOE) Pantex Plant Consolidated Nuclear Security, LLC (CNS) Pantex, the operations and maintenance (O&M) contractor of Pantex Plant commissioned the Preliminary PFAS Sampling Plan to evaluate the potential risks at the facility and collect preliminary groundwater data at areas within the Plant with the highest potential for PFAS. This plan presents findings from research conducted to assess past and current use of materials containing PFAS and identify areas where these materials were potentially stored, handled, used, or released at Pantex Plant. Pantex Plant is located in Carson County in the Texas Panhandle (Figure 1-1).

54 ENVIRONMENTAL SCIENCES↗

Tools for Water Ingress Testing

The Safety Storage and Engineering Team, as part of the Production Support Services division (PSS-2), is tasked with ensuring the safety of containers used for handling and storage of nuclear materials. As part of this work, water ingress tests are conducted to evaluate the water-tightness of containers intended for in-glovebox use. In collaboration, the statistics group of the Computer and Computational Sciences Division (CCS-6) provided support in developing a statistically defensible approach for determining appropriate sample sizes for water ingress testing. Water ingress testing involves multiple measurements on multiple containers. Our approach uses a simple random effects model to analyze a pilot data set, implementing prediction limits to evaluate the efficacy of collecting additional data. Although this study capitalizes on available data, our approach can be used with estimates of the ratio of between and within variability and average values, often available from past testing or expert knowledge. An interactive Shiny tool was developed as a final user-friendly product for future testing. The Shiny interface is an open-source package providing a framework for building web applications. Raw data exploration and prediction interval-based sample size assessments can quickly be conducted by the engineering team without needing to interact with the underlying code.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

On the Abuse and Detection of Polyglot Files

A polyglot is a file that is valid in two or more formats. Polyglot files pose a problem for file-upload and generative AI web interfaces that rely on format identification to determine how to securely handle incoming files. In this work we found that existing file-format and embedded-file detection tools, even those developed specifically for polyglot files, fail to reliably detect polyglot files used in the wild. To address this issue, we studied the use of polyglot files by malicious actors in the wild, finding 30 polyglot samples and 15 attack chains that leveraged polyglot files. Using knowledge from our survey of polyglot usage in the wild---the first of its kind---we created a novel data set based on adversary techniques. We then trained a machine learning detection solution, PolyConv, using this data set. PolyConv achieves a precision-recall area-under-curve score of 0.999 with an F1 score of 99.20% for polyglot detection and 99.47% for file-format identification, significantly outperforming all other tools tested. We developed a content disarmament and reconstruction tool, ImSan, that successfully sanitized 100% of the tested image-based polyglots, which were the most common type found via the survey. Our work provides concrete tools and suggestions to enable defenders to better defend themselves against polyglot files, as well as directions for future work to create more robust file specifications and methods of disarmament.

Oesch, T [ORNL] (ORCID:0000000269091022)↗

Translation and rotation equivariant normalizing flow (TRENF) for optimal cosmological analysis

ABSTRACT Our Universe is homogeneous and isotropic, and its perturbations obey translation and rotation symmetry. In this work, we develop translation and rotation equivariant normalizing flow (TRENF), a generative normalizing flow (NF) model which explicitly incorporates these symmetries, defining the data likelihood via a sequence of Fourier space-based convolutions and pixel-wise non-linear transforms. TRENF gives direct access to the high dimensional data likelihood p(x|y) as a function of the labels y, such as cosmological parameters. In contrast to traditional analyses based on summary statistics, the NF approach has no loss of information since it preserves the full dimensionality of the data. On Gaussian random fields, the TRENF likelihood agrees well with the analytical expression and saturates the Fisher information content in the labels y. On non-linear cosmological overdensity fields from N-body simulations, TRENF leads to significant improvements in constraining power over the standard power spectrum summary statistic. TRENF is also a generative model of the data, and we show that TRENF samples agree well with the N-body simulations it trained on, and that the inverse mapping of the data agrees well with a Gaussian white noise both visually and on various summary statistics: when this is perfectly achieved the resulting p(x|y) likelihood analysis becomes optimal. Finally, we develop a generalization of this model that can handle effects that break the symmetry of the data, such as the survey mask, which enables likelihood analysis on data without periodic boundaries.

79 ASTRONOMY AND ASTROPHYSICS↗

Coupling Microdroplet-Based Sample Preparation, Multiplexed Isobaric Labeling, and Nanoflow Peptide Fractionation for Deep Proteome Profiling of the Tissue Microenvironment

There is increasing interest in developing in-depth proteomic approaches for mapping tissue heterogeneity in a cell-type-specific manner to better understand and predict the function of complex biological systems such as human organs. Existing spatially resolved proteomics technologies cannot provide deep proteome coverage due to limited sensitivity and poor sample recovery. Herein, we seamlessly combined laser capture microdissection with a low-volume sample processing technology that includes a microfluidic device named microPOTS (microdroplet processing in one pot for trace samples), multiplexed isobaric labeling, and a nanoflow peptide fractionation approach. The integrated workflow allowed us to maximize proteome coverage of laser-isolated tissue samples containing nanogram levels of proteins. We demonstrated that the deep spatial proteomics platform can quantify more than 5000 unique proteins from a small-sized human pancreatic tissue pixel (∼60,000 μm2) and differentiate unique protein abundance patterns in pancreas. Furthermore, the use of the microPOTS chip eliminated the requirement for advanced microfabrication capabilities and specialized nanoliter liquid handling equipment, making it more accessible to proteomic laboratories.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Crush Gun Impact of Lightly Confined Explosive with Rounded Projectiles at Nominal Velocity 35 m/s

Blunt, crushing impact of high explosives can cause internal shear heating sufficient to ignite a deflagration. Low-velocity impact of this sort is plausible in handling accident scenarios, e.g. if a charge is dropped or an object is dropped onto a charge. This mechanism can also be activated during sub-shock fragment impact. Efforts to model this viscous shear heating mechanism are currently being developed and refined. The Crush Gun apparatus was created to provide a controlled low-velocity impact stimuli to explosive samples. Infrared thermography captures temporal- and spatially-resolved heating that occurs during the impact event.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

An adaptive Hessian approximated stochastic gradient MCMC method

Bayesian approaches have been successfully integrated into training deep neural networks. One popular family is stochastic gradient Markov chain Monte Carlo methods (SG-MCMC), which have gained increasing interest due to their ability to handle large datasets and the potential to avoid overfitting. Although standard SG-MCMC methods have shown great performance in a variety of problems, they may be inefficient when the random variables in the target posterior densities have scale differences or are highly correlated. Here, we present an adaptive Hessian approximated stochastic gradient MCMC method to incorporate local geometric information while sampling from the posterior. The idea is to apply stochastic approximation (SA) to sequentially update a preconditioning matrix at each iteration. The preconditioner possesses second-order information and can guide the random walk of a sampler efficiently. Instead of computing and saving the full Hessian of the log posterior, we use limited memory of the samples and their stochastic gradients to approximate the inverse Hessian-vector multiplication in the updating formula. Moreover, by smoothly optimizing the preconditioning matrix via SA, our proposed algorithm can asymptotically converge to the target distribution with a controllable bias under mild conditions. To reduce the training and testing computational burden, we adopt a magnitude-based weight pruning method to enforce the sparsity of the network. Our method is user-friendly and demonstrates better learning results compared to standard SG-MCMC updating rules. The approximation of inverse Hessian alleviates storage and computational complexities for large dimensional models. Numerical experiments are performed on several problems, including sampling from 2D correlated distribution, synthetic regression problems, and learning the numerical solutions of heterogeneous elliptic PDE. The numerical results demonstrate great improvement in both the convergence rate and accuracy.

97 MATHEMATICS AND COMPUTING↗

Optically Addressable Light Valve Based on a GaN:Mn Photoconductor

Semi-insulating manganese-doped gallium nitride (GaN:Mn) layers epitaxially grown on unintentionally doped GaN substrates were used as photoconductors in optically addressable light valves (OALVs) to withstand higher operational laser fluences compared to current state-of-the-art OALVs where bismuth silicon oxide (BSO; Bi 12 SiO 20 ) layers are used as photoconductors. GaN:Mn promises to be an exciting material for optoelectronic operations due to its large laser fluence handling capability and photoresponsivity near the band edge. The laser damage thresholds for the semi-insulating epitaxial GaN:Mn layer and the n-type substrate layer were measured to be 2.4 and 4.2 J/cm 2 , respectively. These are 6–10 times higher than that of BSO (0.4 J/cm 2 ). These measurements were performed by exposing ~200 sites on the samples to increasing fluence levels from a Gaussian pulsed Nd:YAG laser system (1064 nm) operating at a 5 Hz repetition rate with a 3 ns pulse width. Photoresponsivity of the GaN:Mn material was investigated at discrete wavelengths of 447, 405, and 380 nm. Further, the peak photoresponsivity was observed under an illumination wavelength of 380 nm and is attributed to stronger absorption. The OALV was fabricated by attaching a 110-μm-thick GaN:Mn layer grown on a 280-μm-thick n-GaN layer to a 3-mm-thick BK7 optical window. A twisted nematic E7 liquid crystal was introduced to the 5 μm gap between the two components. Transmission levels of >90% were achieved for the fabricated OALVs for a peak voltage of 40 V, constrained by transmission “bleed-through”.

36 MATERIALS SCIENCE↗

Enhancing dimensionality prediction in hybrid metal halides via feature engineering and class-imbalance mitigation

We present a machine learning (ML) framework for predicting the structural dimensionality of hybrid metal halides (HMHs), including organic-inorganic perovskites, using a combination of chemically-informed feature engineering and advanced class-imbalance handling techniques. This study is motivated by the small and highly imbalanced nature of experimentally available HMH datasets, which limits the applicability and reliability of conventional ML approaches. The dataset, consisting of 494 HMH structures, is highly imbalanced across dimensionality classes (0D, 1D, 2D, 3D), posing significant challenges to predictive modeling. To mitigate this limitation, the dataset was augmented to 1336 samples using the synthetic minority oversampling technique, enabling improved learning of underrepresented dimensionality classes while preserving chemically meaningful feature relationships. We developed interaction-based descriptors designed to capture coupled steric and polarity effects relevant to dimensionality prediction, which are not readily captured by standard single-parameter or composition-only descriptors. These descriptors are integrated into a multi-stage workflow combining feature selection, ensemble stacking, and performance optimization. Our approach significantly improves F1-scores for underrepresented classes, achieving robust cross-validation performance across all dimensionalities. This work demonstrates a generalizable strategy for extracting reliable and interpretable structure–dimensionality relationships from limited experimental data, enabling pre-synthesis screening of organic cations and providing a practical blueprint for small-data ML in hybrid materials systems.

36 MATERIALS SCIENCE↗