Accurate estimation of the body surface area (BSA) involved by a rash, such as psoriasis, is critical for assessing rash severity, selecting an initial treatment regimen, and following clinical treatment response. Attempts at segmentation of inflammatory skin disease such as psoriasis perform markedly worse on darker skin tones, potentially impeding equitable care. We assembled a psoriasis dataset sourced from six public atlases, annotated for Fitzpatrick skin type, and added detailed segmentation masks for every image. Reference models based on U-Net, ResU-Net, and SETR-small are trained without tone information. On the tuning split we sweep decision thresholds and select (i) global optima and (ii) per Fitzpatrick skin tone optima for Dice and binary IoU. Adapting Fitzpatrick specific thresholds lifted segmentation performance for the darkest subgroup (Fitz VI) by up to +31 % bIoU and +24 % Dice on UNet, with consistent, though smaller, gains in the same direction for ResU-Net (+25 % bIoU, +18 % Dice) and SETR-small (+17 % bIoU, +11 % Dice). Because Fitzpatrick skin tone classifiers trained on Fitzpatrick-17k now exceed 95 % accuracy, the cost of skin tone labeling required for this technique has fallen dramatically. Fitzpatrick thresholding is simple, model-agnostic, requires no architectural changes, no re-training, and is virtually cost free. We demonstrate the inclusion of Fitzpatrick thresholding as a potential future fairness baseline.

Non-Negative Matrix Factorization (NMF) is an unsupervised learning method offering low-rank representations across various domains such as audio processing, biomedical signal analysis, and image recognition. The incorporation of $α$-divergence in NMF formulations enhances flexibility in optimization, yet extending these methods to multi-layer architectures presents challenges in ensuring convergence. To address this, we introduce a novel approach inspired by the Boltzmann probability of the energy barriers in chemical reactions to theoretically perform convergence analysis. We introduce a novel method, called Chem-NMF, with a bounding factor which stabilizes convergence. To our knowledge, this is the first study to apply a physical chemistry perspective to rigorously analyze the convergence behaviour of the NMF algorithm. We start from mathematically proven asymptotic convergence results and then show how they apply to real data. Experimental results demonstrate that the proposed algorithm improves clustering accuracy by 5.6% $\pm$ 2.7% on biomedical signals and 11.1% $\pm$ 7.2% on face images (mean $\pm$ std).

The performance of machine learning models depends heavily on training data. The scarcity of large-scale, well-annotated datasets poses significant challenges in creating robust models. To address this, synthetic data generated through simulations and generative models has emerged as a promising solution, enhancing dataset diversity and improving the performance, reliability, and resilience of models. However, evaluating the quality of this generated data requires an effective metric. This paper introduces the Synthetic Dataset Quality Metric (SDQM) to assess data quality for object detection tasks without requiring model training to converge. This metric enables more efficient generation and selection of synthetic datasets, addressing a key challenge in resource-constrained object detection tasks. In our experiments, SDQM demonstrated a strong correlation with the mean Average Precision (mAP) scores of YOLOv11, a leading object detection model, while previous metrics only exhibited moderate or weak correlations. Additionally, it provides actionable insights for improving dataset quality, minimizing the need for costly iterative training. This scalable and efficient metric sets a new standard for evaluating synthetic data.

We present a systematic, reproducible benchmark comparing quantum and classical machine learning models for BDE prediction using a chemically curated feature set encompassing atomic properties (atomic numbers, hybridization), bond characteristics (bond order, type), and local environmental descriptors. Our quantum framework, implemented in Qiskit Aer on six qubits, employs ZZFeatureMap encodings with variational ans atz (RealAmplitudes) across multiple architectures V ariational Quantum Regressors (VQR), Quantum Support V ector Regressors (QSVR), Quantum Neural Networks (QNN), Quantum Convolutional Neural Networks (QCNN), and Quantum Random Forests (QRF). These are rigorously benchmarked against strong classical baselines, including Support V ector Regression (SVR), Random Forests (RF), and Multi-Layer Perceptrons (MLP). Comprehensive evaluation spanning absolute and relative error metrics, threshold accuracies, and error distributions shows that top-performing quantum models (QCNN, QRF) match the predictive accuracy and robustness of classical ensembles and deep networks, particularly within the chemically prevalent mid-range BDE regime. These findings establish a transparent baseline for quantum-enhanced molecular property prediction and outline a practical foundation for advancing quantum computational chemistry toward near chemical accuracy.

Accurate time - series predictions in machine learning are heavily influenced by the selection of appropriate input time length and sampling rate. This paper introduces ATLO - ML, an adaptive time - length optimization system that automatically determines the optimal input time length and sampling rate based on user - defined output time length. The system provides a flexible approach to time - series data pre - processing, dynamically adjusting these parameters to enhance predictive performance. ATLO - ML is validated using air quality datasets, including both GAMS - dataset and proprietary data collected from a data center, both in time series format. Results demonstrate that utilizing the optimized time length and sampling rate significantly improves the accuracy of machine learning models compared to fixed time lengths. ATLO - ML shows potential for generalization across various time - sensitive applications, offering a robust solution for optimizing temporal input parameters in machine learning workflows .

In decentralized learning networks, predictions from many participants are combined to generate a network inference. While many studies have demonstrated performance benefits of combining multiple model predictions, existing strategies using linear pooling methods (ranging from simple averaging to dynamic weight updates) face a key limitation. Dynamic prediction combinations that rely on historical performance to update weights are necessarily reactive. Due to the need to average over a reasonable number of epochs (with moving averages or exponential weighting), they tend to be slow to adjust to changing circumstances (phase or regime changes). In this work, we develop a model that uses machine learning to forecast the performance of predictions by models at each epoch in a time series. This enables `context-awareness' by assigning higher weight to models that are likely to be more accurate at a given time. We show that adding a performance forecasting worker in a decentralized learning network, following a design similar to the Allora network, can improve the accuracy of network inferences. Specifically, we find forecasting models that predict regret (performance relative to the network inference) or regret z-score (performance relative to other workers) show greater improvement than models predicting losses, which often do not outperform the naive network inference (historically weighted average of all inferences). Through a series of optimization tests, we show that the performance of the forecasting model can be sensitive to choices in the feature set and number of training epochs. These properties may depend on the exact problem and should be tailored to each domain. Although initially designed for a decentralized learning network, using performance forecasting for prediction combination may be useful in any situation where predictive rather than reactive model weighting is needed.

The NYSDOT evaluates road conditions by driving on roads and observing live cameras, tasks which are labor-intensive but necessary for making critical operational decisions during winter weather events. However, machine learning models can provide additional support for the NYSDOT by automatically classifying current road conditions across the state. In this study, convolutional neural networks and random forests are trained on camera images and weather data to predict road surface conditions. Models are trained on a hand-labeled dataset of 22,000 camera images, each classified by human labelers into one of six road surface conditions: severe snow, snow, wet, dry, poor visibility, or obstructed. Model generalizability is prioritized to meet the operational needs of the NYSDOT decision makers, and the weather-related road surface condition model in this study achieves an accuracy of 81.5% on completely unseen cameras. Keywords Winter weather Co-design Artificial intelligence Risk communication Hand-labeled dataset Highlights Developed a model to classify road surface conditions using image and weather data Achieved accuracy of 81.5% on completely unseen cameras for weather-related classes Integrated co-design with end-users and interdisciplinary collaboration Designed methods that prioritize model generalizability for operational applicability

Is bigger always better for time series foundation models? With the question in mind, we explore an alternative to training a single, large monolithic model: building a portfolio of smaller, pretrained forecasting models. By applying ensembling or model selection over these portfolios, we achieve competitive performance on large-scale benchmarks using much fewer parameters. We explore strategies for designing such portfolios and find that collections of specialist models consistently outperform portfolios of independently trained generalists. Remarkably, we demonstrate that post-training a base model is a compute-effective approach for creating sufficiently diverse specialists, and provide evidences that ensembling and model selection are more compute-efficient than test-time fine-tuning.

Far from equilibrium, neural systems self-organize across multiple scales. Exploiting multiscale self-organization in neuroscience and artificial intelligence requires a computational framework for modeling the effective non-equilibrium dynamics of stochastic neural trajectories. Non-equilibrium thermodynamics and representational geometry offer theoretical foundations, but we need scalable data-driven techniques for modeling collective properties of high-dimensional neural networks from partial subsampled observations. Renormalization is a coarse-graining technique central to studying emergent scaling properties of many-body and nonlinear dynamical systems. While widely applied in physics and machine learning, coarse-graining complex dynamical networks remains unsolved, affecting many computational sciences. Recent diffusion-based renormalization, inspired by quantum statistical mechanics, coarse-grains networks near entropy transitions marked by maximal changes in specific heat or information transmission. Here I explore diffusion-based renormalization of neural systems by generating symmetry-breaking representations across scales and offering scalable algorithms using tensor networks. Diffusion-guided renormalization bridges microscale and mesoscale dynamics of dissipative neural systems. For microscales, I developed a scalable graph inference algorithm for discovering community structure from subsampled neural activity. Using community-based node orderings, diffusion-guided renormalization generates renormalization group flow through metagraphs and joint probability functions. Towards mesoscales, diffusion-guided renormalization targets learning the effective non-equilibrium dynamics of dissipative neural trajectories occupying lower-dimensional subspaces, enabling coarse-to-fine control in systems neuroscience and artificial intelligence.

This work investigates how a multilingual transformer model represents morphosyntactic properties of questions. We introduce the Question Type and Complexity (QTC) dataset with sentences across seven languages, annotated with type information and complexity metrics including dependency length, tree depth, and lexical density. Our evaluation extends probing methods to regression labels with selectivity controls to quantify gains in generalizability. We compare layer-wise probes on frozen Glot500-m (Imani et al., 2023) representations against subword TF-IDF baselines, and a fine-tuned model. Results show that statistical features classify questions effectively in languages with explicit marking, while neural probes capture fine-grained structural complexity patterns better. We use these results to evaluate when contextual representations outperform statistical baselines and whether parameter updates reduce the availability of pre-trained linguistic information.