SCI Publications

2025


T. Kataria, S. Dubey, M. Bronner, J. Jedrzkiewicz, B. Brintz, S. Elhabian, B. Knudsen. “Building Trust in Virtual Immunohistochemistry: Automated Assessment of Image Quality,” Subtitled “arXiv:2511.04615v1,” 2025.

ABSTRACT

Deep learning models can generate virtual immunohistochemistry (IHC) stains from hematoxylin and eosin (H&E) images, offering a scalable and low-cost alternative to laboratory IHC. However, reliable evaluation of image quality remains a challenge as current texture- and distribution-based metrics quantify image fidelity rather than the accuracy of IHC staining. Here, we introduce an automated and accuracy grounded framework to determine image quality across sixteen paired or unpaired image translation models. Using color deconvolution, we generate masks of pixels stained brown (i.e., IHC-positive) as predicted by each virtual IHC model. We use the segmented masks of real and virtual IHC to compute stain accuracy metrics (Dice, IoU, Hausdorff distance) that directly quantify correct pixel - level labeling without needing expert manual annotations. Our results demonstrate that conventional image fidelity metrics, including Frechet Inception Distance (FID), peak signal-to-noise ratio (PSNR), and structural similarity (SSIM), correlate poorly with stain accuracy and pathologist assessment. Paired models such as PyramidPix2Pix and AdaptiveNCE achieve the highest stain accuracy, whereas unpaired diffusion- and GAN-based models are less reliable in providing accurate IHC positive pixel labels. Moreover, whole-slide images (WSI) reveal performance declines that are invisible in patch-based evaluations, emphasizing the need for WSI-level benchmarks. Together, this framework defines a reproducible approach for assessing the quality of virtual IHC models, a critical step to accelerate translation towards routine use by pathologists. 



S.A. LaBelle, M. Soltany Sadrabadi, S. Baek, M Mofrad, J. Weiss, A. Arzani. “Multiscale kinematic growth coupled with mechanosensitive systems biology in open-source software,” In ASME. J Biomech Eng., ASME, 2025.
DOI: https://doi.org/10.1115/1.4068290

ABSTRACT

Multiscale coupling between cell-scale biology and tissue-scale mechanics is a promising approach for modeling disease growth. In such models, tissue-level growth and remodeling (G&R) are driven by cell-level signaling pathways and systems biology models, where each model operates at different scales. Herein, we generate multiscale G&R models to capture the associated multiscale connections. At the cell-scale, we consider systems biology models in the form of systems of ordinary differential equations (ODEs) and partial differential equations (PDEs) representing the reactions between the biochemicals causing the growth based on mass-action or logic-based Hill-type kinetics. At the tissue-scale, we employ kinematic growth in continuum frameworks. Two illustrative test problems (a tissue graft and aneurysm growth) are examined with various chemical signaling networks, boundary conditions, and mechano-chemical coupling strategies. We extend two open-source software frameworks—febio and fenics—to disseminate examples of multiscale growth and remodeling simulations. One-way and two-way coupling between the systems biology and the growth models are compared and the effect of biochemical diffusivity and ODE versus PDE-based systems biology modeling on the G&R results are studied. The results show that growth patterns emerge from reactions between biochemicals, the choice between ODEs and PDEs systems biology modeling, and the coupling strategy. Cross-verification confirms that results for febio and fenics are nearly identical. We hope that these open-source tools will support reproducibility and education within the biomechanics community.



E.R. Lapins, A.C. Peterson, C.L. Saltzman, S.Y. Elhabian, B. Chrea, T. Miyamoto, A. Lenz. “Subtalar Joint Statistical Shape Modeling Differentiates Cavus-to-Planus Foot Types From Weightbearing CT,” In Foot & Ankle Orthopaedics, Vol. 10, No. 4, 2025.
DOI: 10.1177/24730114251390497

ABSTRACT

Background:

Foot type significantly impacts the development and progression of foot and ankle pathologies by influencing biomechanics and force distribution. However, it is typically assessed qualitatively and with a 2D radiographic measurement called Meary’s angle. This study seeks to determine the minimum number of bones required in a statistical shape model (SSM) to accurately represent the full cavus through planus spectrum, enabling future machine learning applications in clinical practice.
 

Methods:

Our study included weightbearing computed tomography (WBCT) data from 151 patients grouped based on clinical diagnosis or Meary’s angle: 33 Charcot-Marie-Tooth (CMT), 29 cavus, 28 rectus, 27 planus, and 34 progressive collapsing foot deformity (PCFD). Ten multi-bone SSMs, with varying numbers of bones, were created from bony segmentations. Principal component analysis (PCA) assessed the modes of variation for all SSMs.
 

Results:

PCA mode 1 demonstrated significant results (α = 0.05) for all SSMs, with the 2-bone subtalar joint (STJ) model capturing the most variance at 70.9% and the largest effect size of 0.75. The mean shape of all SSMs exhibited neutral STJ and midfoot alignment, whereas severe cavus and planus deformities were observed at 2 SDs from the mean shape. Models that included the STJ had statistical differences between all group PCA score comparisons. In contrast, models without the STJ had significant differences between all groups, except between the planus and rectus groups.
 

Conclusion:

STJ orientation and morphology appear fundamental for determining foot type. Our study revealed that the STJ alone offers sufficient information for computational differentiation because of its high variance and effect sizes when included in SSMs, highlighting the possible clinical utility as a simplified model. Although full foot models provide additional insights, the STJ model’s effectiveness makes it ideal for streamlined assessment and treatment planning.
 

Clinical Relevance:

Modeling the STJ captures the full cavus-planus foot type spectrum, suggesting its morphology may drive foot type and related pathologies. This underscores the potential of using simplified models in combination with machine learning as a rapid morphologic classifier; clinical impact remains to be determined.



Z. Li, H. Miao, X. Yan, V. Pascucci, M. Berger, S. Liu. “See or Recall: A Sanity Check for the Role of Vision in Solving Visualization Question Answer Tasks with Multimodal LLMs,” Subtitled “arXiv:2504.09809v2,” 2025.

ABSTRACT

Recent developments in multimodal large language models (MLLM) have equipped language models to reason about vision and language jointly. This permits MLLMs to both perceive and answer questions about data visualization across a variety of designs and tasks. Applying MLLMs to a broad range of visualization tasks requires us to properly evaluate their capabilities, and the most common way to conduct evaluation is through measuring a model’s visualization reasoning capability, analogous to how we would evaluate human understanding of visualizations (e.g., visualization literacy). However, we found that in the context of visualization question answering (VisQA), how an MLLM perceives and reasons about visualizations can be fundamentally different from how humans approach the same problem. During the evaluation, even without visualization, the model could correctly answer a substantial portion of the visualization test questions, regardless of whether any selection options were provided. We hypothesize that the vast amount of knowledge encoded in the language model permits factual recall that supersedes the need to seek information from the visual signal. It raises concerns that the current VisQA evaluation may not fully capture the models’ visualization reasoning capabilities. To address this, we propose a comprehensive sanity check framework that integrates a rule-based decision tree and a sanity check table to disentangle the effects of ”seeing” (visual processing) and ”recall” (reliance on prior knowledge). This validates VisQA datasets for evaluation, highlighting where models are truly ”seeing”, positively or negatively affected by the factual recall, or relying on inductive biases for question answering. Our study underscores the need for careful consideration in designing future visualization understanding studies when utilizing MLLMs.



X. Li, R. Whitaker, T. Tasdizen. “Audio and Multiscale Visual Cues Driven Cross-modal Transformer for Idling Vehicle Detection,” Subtitled “arXiv:2504.16102,” 2025.

ABSTRACT

Idling vehicle detection (IVD) uses surveillance video and multichannel audio to localize and classify vehicles in the last frame as moving, idling, or engine-off in pick-up zones. IVD faces three challenges: (i) modality heterogeneity between visual cues and audio patterns; (ii) large box scale variation requiring multi-resolution detection; and (iii) training instability due to coupled detection heads. The previous end-to-end (E2E) model [1] with simple CBAM-based [2] bi-modal attention fails to handle these issues and often misses vehicles. We propose HAVT-IVD, a heterogeneity-aware network with a visual feature pyramid and decoupled heads. Experiments show HAVT-IVD improves mAP by 7.66 over the disjoint baseline and 9.42 over the E2E baseline.



J. Li, T. A. J. Ouermi, M. Han,, C. R. Johnson. “Uncertainty Tube Visualization of Particle Trajectories,” In 2025 IEEE Workshop on Uncertainty Visualization: Unraveling Relationships of Uncertainty, AI, and Decision-Making, 2025.
DOI: 10.48550/arXiv.2508.13505

ABSTRACT

Predicting particle trajectories with neural networks (NNs) has substantially enhanced many scientific and engineering domains. However, effectively quantifying and visualizing the inherent uncertainty in predictions remains challenging. Without an understanding of the uncertainty, the reliability of NN models in applications where trustworthiness is paramount is significantly compromised. This paper introduces the uncertainty tube, a novel, computationally efficient visualization method designed to represent this uncertainty in NN-derived particle paths. Our key innovation is the design and implementation of a superelliptical tube that accurately captures and intuitively conveys nonsymmetric uncertainty. By integrating well-established uncertainty quantification techniques, such as Deep Ensembles, Monte Carlo Dropout (MC Dropout), and Stochastic Weight Averaging-Gaussian (SWAG), we demonstrate the practical utility of the uncertainty tube, showcasing its application on both synthetic and simulation datasets.



X. Li, X. Tang, T. Tasdizen. “HAVT-IVD: HETEROGENEITY-AWARE CROSS-MODAL NETWORK FOR AUDIO-VISUAL SURVEILLANCE: IDLING VEHICLES DETECTION WITH MULTICHANNEL AUDIO AND MULTISCALE VISUAL CUES,” Subtitled “arXiv:2504.16102v2,” 2025.

ABSTRACT

Idling vehicle detection (IVD) uses surveillance video and multichannel audio to localize and classify vehicles in the last frame as moving, idling, or engine-off in pick-up zones. IVD faces three challenges: (i) modality heterogeneity between visual cues and audio patterns; (ii) large box scale variation requiring multi-resolution detection; and (iii) training instability due to coupled detection heads. The previous end-to-end (E2E) model with simple CBAM-based bi-modal attention fails to handle these issues and often misses vehicles. We propose HAVT-IVD, a heterogeneity-aware network with a visual feature pyramid and decoupled heads. Experiments show HAVT-IVD improves mAP by 7.66 over the disjoint baseline and 9.42 over the E2E baseline. 



B. Liu, S. Fang, R.M. Kirby. “Considering Compulsory Voting Through the Lens of Data-Driven AI/ML-based Modeling,” In American Political Science Association (APSA) Annual Meeting 2025, 2025.

ABSTRACT

While many of recent electoral reforms in the U.S. states have been centered on more restrictive legislation such as a higher standard of voter ID law, the call for expansive legal reforms has also drawn increasing attention. Among the expansive legislative proposals, arguably the most controversial one is to make voting compulsory. As Massachusetts learned from Australia and adopted the secret ballot in 1888, the Australian compulsory voting system which was enacted in 1924 has also been proposed recently by some U.S. legislators at the state level. The major supporters of compulsory voting in the U.S. have mainly come from the political left whose agendas have met vigorous opposition from the political right. Many criticisms are based on the assumptions of its beneficial effects on the voters at the margins whose voting participation has been historically lower than those of more well-to-do, informed voters, which would suggest a larger advantage for the Democratic Party. No empirical research, however, has shown such a possible Democratic advantage if compulsory voting were adopted. The main reason for no prior empirical support was because compulsory voting has never been implemented in the U.S. at the national level, and no previous studies have had comprehensive tools at hand to handle many layers and complexities in predicting the outcomes of compulsory voting at both the national and state levels. This article takes advantage of the most recent machine learning tools to narrow this empirical gap significantly. The ANES data spanning presidential elections from 1948 to 2020 provide the most comprehensive and unprecedented big data sets to test whether it is indeed the Democratic Party that would reap more benefits in compulsory voting at both the national and state levels. Our starting point is to use a state-of-the-art adaptation of the classic logit regression – elastic-net regression – for both our data-driven feature selection and modeling tasks. Furthermore, based on an innovative Transfer Component Analysis (TCA) approach added to our modeling pipeline, our machine learning prediction model shows that the effect of compulsory voting does benefit overall the Democratic Party at the national level. At the state level, however, the Republican Party can also achieve many positive electoral impacts within the context of compulsory voting.



K.P. Logakannan, S. Vashishtha, J. Hochhalter, S. Zhe, R.M. Kirby. “A Streaming Sparse Cholesky Method for Derivative-Informed Gaussian Process Surrogates Within Digital Twin Applications,” Subtitled “arXiv:2511.00366v1,” 2025.

ABSTRACT

Digital twins are developed to model the behavior of a specific physical asset (or twin), and they can consist of high-fidelity physics-based models or surrogates. A highly accurate surrogate is often preferred over multi-physics models as they enable forecasting the physical twin future state in real-time. To adapt to a specific physical twin, the digital twin model must be updated using in-service data from that physical twin. Here, we extend Gaussian process (GP) models to include derivative data, for improved accuracy, with dynamic updating to ingest physical twin data during service. Including derivative data, however, comes at a prohibitive cost of increased covariance matrix dimension. We circumvent this issue by using a sparse GP approximation, for which we develop extensions to incorporate derivatives. Numerical experiments demonstrate that the prediction accuracy of the derivative-enhanced sparse GP method produces improved models upon dynamic data additions. Lastly, we apply the developed algorithm within a DT framework to model fatigue crack growth in an aerospace vehicle. 



T. Mangin, X. Li, S. Mahmoudi, R. Mohammed, N. Page, S. Peck, A. Snelgrove, E. Blanchard, D. Tang, L. Pinegar, O. Leishman, J. Rice, G. Madden, P. Gaillardon, R. Whitaker, K. Kelly. “Changing Idling Behavior through Dynamic Idle Detection and Air Quality Messaging,” In IEEE Internet of Things Journal, Vol. 12, No. 23, IEEE, pp. 51316-51325. 2025.

ABSTRACT

Air quality impacts on human health are an increasing concern globally. Vehicle pollution is a particular concern because of its multiple adverse health effects, and discretionary vehicle idling contributes significantly to local-scale poor air quality. This study introduces a novel approach to traditional static (unchanging) anti-idling signage. Here, we demonstrate a system, called SmartAir, that provides dynamic social-norm messages to drivers coupled with information about idling status or vehicle emissions in the area. A machine learning algorithm with audio and video inputs determines vehicle idling status. Vehicle emissions are measured using a suite of low-cost air quality nodes. In this study, we show that the SmartAir system reduces idling time by 28.0% and local CO2 concentrations by 29.5% compared with background.



N. X. Marshak, K. Simotas, Z. Lukić, H. Park, J. Ahrens, C. R. Johnson. “Nyx-RT: Adaptive Ray Tracing in the Nyx Hydrodynamical Code,” Subtitled “arXiv:2512.12466,” 2025.

ABSTRACT

Numerical methods for radiative transfer play a key role in modern-day astrophysics and cosmology, including study of the inhomogeneous reionization process. In this context, ray tracing methods are well-regarded for accuracy but notorious for high computational cost. In this work, we extend the capabilities of the Nyx N-body / hydrodynamics code, coupling radiation to gravitational and gas dynamics. We formulate adaptive ray tracing as a novel series of filters and transformations that can be used with AMReX particle abstractions, simplifying implementation and enabling portability across Exascale GPU architectures. To address computational cost, we present a new algorithm for merging sources, which significantly accelerates computation once reionization is well underway. Furthermore, we develop a novel prescription for geometric overlap correction with low-density neighbor cells. We perform verification and validation against standard analytic and numerical test problems. Finally, we demonstrate scaling to up to 1024 nodes and 4096 GPUs running multiphysics cosmological simulations, with 4096^3 Eulerian gas cells, 4096^3 dark matter particles, and ray tracing on a 1024^3 coarse grid. For these full cosmological simulations, we demonstrate convergence in terms of reionization history and post-ionization Lyman-alpha forest flux. 



A. McNutt , M. K. McCracken , I. J. Eliza , D. Hajas , J. Wagoner , N. Lanza, J. Wilburn , S. Creem-Regehr ,, A. Lex. “Accessible Text Descriptions for UpSet Plots,” In Computer Graphics Forum, Vol. 44, No. 3, 2025.

ABSTRACT

Data visualizations are typically not accessible to blind and low-vision (BLV) users. Automatically generating text descriptions offers an enticing mechanism for democratizing access to the information held in complex scientific charts, yet appropriate procedures for generating those texts remain elusive. Pursuing this issue, we study a single complex chart form: UpSet plots. UpSet Plots are a common way to analyze set data, an area largely unexplored by prior accessibility literature. By analyzing the patterns present in real-world examples, we develop a system for automatically captioning any UpSet plot. We evaluated the utility of our captions via semi-structured interviews with (N=11) BLV users and found that BLV users find them informative. In extensions, we find that sighted users can use our texts similarly to UpSet plots and that they are better than naive LLM usage.



S.L. Mirtaheri, A. Pugliese, V. Pascucci. “Automated Vulnerability Score Prediction through Lightweight Generative AI,” In Knowledge-Based Systems, Vol. 329, pp. 114406. 2025.
ISSN: 0950-7051
DOI: https://doi.org/10.1016/j.knosys.2025.114406

ABSTRACT

Given the constantly increasing number of newly published vulnerabilities, manually assessing their scores (e.g., under the Common Vulnerability Scoring System) has become unfeasible. Recently, learning-based systems have been proposed to automatically predict vulnerability scores. Such systems use vulnerability indexing databases to train deep learning algorithms. However, their practical applicability has important limitations, including a high dependency on the quality and diversity of training data, and high computational requirements. In addition, vulnerability descriptions often do not follow the standard templates and are not rich enough with respect to the expected features. In this paper, we propose a novel architecture that takes advantage of both generative artificial intelligence and lightweight deep learning techniques to provide an efficient and effective solution for automated vulnerability scoring. Data extracted from the National Vulnerability Dataset is fed into a large language model layer, whose output (i.e., an augmented dataset) is then used in a lightweight fine-tuned BERTsmall layer. We provide the results of an extensive experimental assessment of the effect of both each layer of the architecture and end-to-end performances. The results suggest that the combination of GPT3.5-Turbo and BERTsmall provides the most effective accuracy-time trade-off. We also compare the performance of the proposed architecture with other LLMs, BERT models, and cutting-edge approaches. The results show good improvements in prediction quality also when compared to a recent technique that incorporates data from 66 different sources, including the NVD.



M.M. Mohammad, N. Baret, R. Mayerhofer, A. McNutt, P. Rosen. “Towards Scalable Visual Data Wrangling via Direct Manipulation,” Subtitled “arXiv:2512.18405,” 2025.

ABSTRACT

Data wrangling - the process of cleaning, transforming, and preparing data for analysis - is a well-known bottleneck in data science workflows. Existing tools either rely on manual scripting, which is error-prone and hard to debug, or automate cleaning through opaque black-box pipelines that offer limited control. We present Buckaroo, a scalable visual data wrangling system that restructures data preparation as a direct manipulation task over visualizations. Buckaroo enables users to explore and repair data anomalies - such as missing values, outliers, and type mismatches - by interacting directly with coordinated data visualizations. The system extensibly supports user-defined error detectors and wranglers, tracks provenance for undo/redo, and generates reproducible scripts for downstream tasks. Buckaroo maintains efficient indexing data structures and differential storage to localize anomaly detection and minimize recomputation. To demonstrate the applicability of our model, Buckaroo is integrated with the \textitHopara pan-and-zoom engine, which enables multi-layered navigation over large datasets without sacrificing interactivity. Through empirical evaluation and an expert review, we show that Buckaroo makes visual data wrangling scalable - bridging the gap between visual inspection and programmable repairs. 



Z. Morrow, M. Penwarden, B. Chen, A. Javeed, A. Narayan, J. Jakeman. “SUPN: Shallow Universal Polynomial Networks,” Subtitled “arXiv:2511.21414v1,” 2025.

ABSTRACT

Deep neural networks (DNNs) and Kolmogorov-Arnold networks (KANs) are popular methods for function approximation due to their flexibility and expressivity. However, they typically require a large number of trainable parameters to produce a suitable approximation. Beyond making the resulting network less transparent, overparameterization creates a large optimization space, likely producing local minima in training that have quite different generalization errors. In this case, network initialization can have an outsize impact on the model's out-of-sample accuracy. For these reasons, we propose shallow universal polynomial networks (SUPNs). These networks replace all but the last hidden layer with a single layer of polynomials with learnable coefficients, leveraging the strengths of DNNs and polynomials to achieve sufficient expressivity with far fewer parameters. We prove that SUPNs converge at the same rate as the best polynomial approximation of the same degree, and we derive explicit formulas for quasi-optimal SUPN parameters. We complement theory with an extensive suite of numerical experiments involving SUPNs, DNNs, KANs, and polynomial projection in one, two, and ten dimensions, consisting of over 13,000 trained models. On the target functions we numerically studied, for a given number of trainable parameters, the approximation error and variability are often lower for SUPNs than for DNNs and KANs by an order of magnitude. In our examples, SUPNs even outperform polynomial projection on non-smooth functions. 



Q.C. Nguyen, R. Doumbia, T.T. Nguyen, X. Yue, H. Mane, J. Merchant, T. Tasdizen, M. Alirezaei, P. Dipankar, D. Li, P. Sai Priya Mullaputi A. Alibilli, Y. Hswen, X. He. “Changes in the Neighborhood Built Environment and Chronic Health Conditions in Washington, DC, in 2014-2019: Longitudinal Analysis,” In JMIR Form Res, Vol. 9, pp. e74195. 2025.

ABSTRACT

Background: Google Street View (GSV) images offer a unique and scalable alternative to in-person audits for examining neighborhood built environment characteristics. Additionally, most prior neighborhood studies have relied on cross-sectional designs.

Objective: This study aimed to use GSV images and computer vision to examine longitudinal changes in the built environment, demographic shifts, and health outcomes in Washington, DC, from 2014 to 2019.

Methods: In total, 434,115 GSV images were systematically sampled at 100 m intervals along primary and secondary road segments. Convolutional neural networks, a type of deep learning algorithm, were used to extract built environment features from images. Census tract summaries of the neighborhood built environment were created. Multilevel mixed-effects linear models with random intercepts for years and census tracts were used to assess associations between built environment changes and health outcomes, adjusting for covariates, including median age, percentage male, percentage Hispanic, percentage African American, percentage college educated, percentage owner-occupied housing, and median household income.

Results: Washington, DC, experienced a shift toward higher-density housing, with non-single-family homes rising from 66% to 72% of the housing stock. Single-lane roads increased from 37% to 42%, suggesting a shift toward more sustainable and compact urban forms. Gentrification trends were reflected in a rise in college-educated residents (16%-41%), a US $17,490 increase in the median household income, and a US $159,600 increase in property values. Longitudinal analyses revealed that increased construction activity was associated with lower rates of obesity, diabetes, high cholesterol, and cancer, while growth in non-single-family housing was correlated with reductions in the prevalence of obesity and diabetes. However, neighborhoods with higher proportions of African American residents experienced reduced construction activity.

Conclusions: Washington, DC, has experienced significant urban transformation, marked by substantial changes in neighborhood built environments and demographic shifts. Urban development is associated with reduced prevalence of chronic conditions. These findings highlight the complex interplay between urban development, demographic changes, and health, underscoring the need for future research to explore the broader impacts of neighborhood built environment changes on community composition and health outcomes. GSV imagery, along with advances in computer vision, can aid in the acceleration of neighborhood studies.



D. De Novi, L. Carnevale, D. Balouek, M. Parashar, M. Villari. “Predictive Resource Management in the Computing Continuum: Transfer Learning from Virtual Machines to Containers using Transformers,” In UCC '25: Proceedings of the 18th IEEE/ACM International Conference on Utility and Cloud Computing , IEEE, 2025.

ABSTRACT

Efficient workload forecasting is a key enabler of modern AIOps (Artificial Intelligence for IT Operations), supporting proactive and autonomous resource management across the computing continuum, from edge environments to large-scale cloud infrastructures. In this paper, we propose a Temporal Transformer architecture for CPU utilization prediction, designed to capture both short-term fluctuations and long-range temporal dependencies in workload dynamics. The model is first pretrained on a large-scale Microsoft Azure VM dataset and subsequently fine-tuned on the Alibaba container dataset, enabling effective transfer learning across heterogeneous virtualization environments. Experimental results demonstrate that the proposed approach achieves high predictive accuracy while maintaining a compact model size and inference times compatible with real-time operation. Qualitative analyses further highlight the model’s ability to reproduce workload patterns with high fidelity. These findings indicate that the proposed Temporal Transformer constitutes a lightweight and accurate forecasting component for next-generation AIOps pipelines, suitable for deployment across both cloud and edge intelligence scenarios.



I. Osinomumu, U. Reddy, G. Doretto, D. Adjeroh. “A Survey of Machine Learning Techniques in Flavor Prediction and Analysis,” In Trends in Food Science & Technology, Vol. 166, Elsevier, 2025.

ABSTRACT

Background

Flavor prediction—the computational estimation of a compound's sensory profile from volatile and non-volatile compounds—is increasingly important for innovation in food, beverage, fragrance, and pharmaceutical industries. Traditional methods such as Gas Chromatography–Mass Spectrometry (GC–MS) and sensory evaluation remain valuable but face limitations in scalability, subjectivity, and cost. Taste perception, mediated by receptor–ligand interactions, fundamentally shapes the multisensory experience of flavor.
 

Scope and approach

This review examines diverse machine learning (ML) and deep learning (DL) approaches applied in flavor prediction, benchmarking their performance across sweet, bitter, umami/kokumi, pungency, and multi-class taste predictors. It spans traditional ML algorithms (SVM, RF, KNN) and advanced DL models (CNNs, RNNs, GANs, and LLMs), with additional focus on hybrid and ensemble strategies. A particular emphasis is placed on molecular representation (SMILES, SELFIES, fingerprints), the integration of multi-omics data (genomics, proteomics, and metabolomics) for a holistic understanding of flavor formation, genotype–phenotype–flavor relationships, and the crucial role of taste receptor information for enhancing model interpretability.
 

Key findings and conclusions

Model performance varies by taste modality: gradient boosting and consensus models excel for sweetness, SVMs and Graph Neural Networks (GNNs) for bitterness, and CNN + GNN hybrids for multi-class classification. Kokumi and umami benefit from GNN embeddings, iUmami-SCM, and transformer-based models with experimental validation, while pungency prediction—(though underexplored)-shows promise with ensembles and quantum chemistry-informed features. Challenges remain, including limited high-quality datasets, underfitting on novel molecules, and the interpretability gap in deep learning. Advances such as SELFIES and receptor–ligand–aware models (e.g., BitterX, BitterTranslate, KokumiPD) address these issues by ensuring structural validity and enhancing mechanistic insights.
 

Significance and novelty

The review identifies future directions in explainable AI, IoT-enabled data collection, multi-omics fusion, molecular representations, and hybrid modeling—offering a roadmap for scalable, interpretable flavor prediction in next-generation food, fragrance, and pharmaceutical innovation.



T. A. J. Ouermi, E. Li, K. Moreland, D. Pugmire, C. R. Johnson,, T. M. Athawale. “Efficient Probabilistic Visualization of Local Divergence of 2D Vector Fields with Independent Gaussian Uncertainty,” In 2025 IEEE Workshop on Uncertainty Visualization: Unraveling Relationships of Uncertainty, AI, and Decision-Making, 2025.

ABSTRACT

This work focuses on visualizing uncertainty of local divergence of two-dimensional vector fields. Divergence is one of the fundamental attributes of fluid flows, as it can help domain scientists analyze potential positions of sources (positive divergence) and sinks (negative divergence) in the flow. However, uncertainty inherent in vector field data can lead to erroneous divergence computations, adversely impacting downstream analysis. While Monte Carlo (MC) sampling is a classical approach for estimating divergence uncertainty, it suffers from slow convergence and poor scalability with increasing data size and sample counts. Thus, we present a two-fold contribution that tackles the challenges of slow convergence and limited scalability of the MC approach. (1) We derive a closed-form approach for highly efficient and accurate uncertainty visualization of local divergence, assuming independently Gaussian-distributed vector uncertainties. (2) We further integrate our approach into Viskores, a platform-portable parallel library, to accelerate uncertainty visualization. In our results, we demonstrate significantly enhanced efficiency and accuracy of our serial analytical (speed-up up to $1946 \times$) and parallel Viskores (speed-up up to 19698X) algorithms over the classical serial MC approach. We also demonstrate qualitative improvements of our probabilistic divergence visualizations over traditional mean-field visualization, which disregards uncertainty. We validate the accuracy and efficiency of our methods on wind forecast and ocean simulation datasets.



E.N. Paccione, E. Kwan, J.A. Bergquist, A.S. Shah, B. A. Orkild, B. Hunt, M. L. Salter, J. Mendes, E. DiBella, A. E. Arai, T. J. Bunch, R. S. MacLeod, J. N. Kunz, Y. Hitchcock, K. E. Kokeny, S. Lloyd, R. Ranjan. “Radiation Induces Diffuse Extracellular Remodeling of Healthy Myocardium in a Dose and Time Dependent Manner Without a Dense Ablative Effect,” In Heart Rhythm, Elsevier, pp. 1547-5271. 2025.
DOI: https://doi.org/10.1016/j.hrthm.2025.06.041

ABSTRACT

Background

Although early studies of cardiac stereotactic body radiotherapy (cSBRT) show promise as a therapy to treat drug-refractory ventricular tachycardia, there remain knowledge gaps in its application, including the ideal doses to apply, which radiation source to use, which substrates to target, and the structural and electrophysiological effects seen after cSBRT.
 

Objective

Here, we examine doses up to 50 Gy to assess lesion formation by longitudinally following healthy myocardium after photon radiation using cardiac magnetic resonance (CMR) imaging and correlating those findings with histologic analysis.
 

Methods

Eight healthy canines underwent stereotactic photon beam cSBRT targeting healthy cardiac tissue. Serial CMR imaging assessed structural changes over time, imaging with late gadolinium enhancement, pre- and postcontrast T1, and precontrast T2 mapping. CMR images were registered to dosing plans, and left ventricular regions in 10 Gy increments from 0 to 50 Gy were identified for analysis. Histologic analysis was conducted postmortem to quantify fibrosis.
 

Results

Scar-like late gadolinium enhancement intensity was observed only in regions receiving 40 to 50 Gy within 3 months after cSBRT but was confined to small relative volumes (<4% of target volume). T1 and extracellular volume values increased in a dose- and time-dependent manner, reaching physiological levels associated with diffuse fibrosis primarily with high doses yet present in low-dose regions. Histologic examination revealed a 102.7% relative increase (+0.38% absolute increase) in diffuse fibrosis in targeted regions compared with nonirradiated controls and a 34.41% relative increase (+0.19% absolute increase) in diffuse fibrosis in nontargeted regions at chronic time points (>90 days).
 

Conclusions

Photon cSBRT induces structural remodeling in healthy ventricular myocardium, primarily manifesting as diffuse remodeling that progressively increases with the radiation dose and the time interval after radiation without large areas of dense scar formation. These findings provide insight into the long-term effects of cSBRT, showing that healthy myocardium is unlikely to form large scar regions within 3 months and that diffuse remodeling should be further considered as a long-term effect of cSBRT.