Benchmarking Scientific Machine Learning Models for Air Quality Data

Accurate air quality index (AQI) forecasting is essential for the protecting public health in rapidly growing urban regions, and the practical model evaluation and selection are often challenged by the lack of rigorous, region-specific benchmarking on standardized datasets. Physics-guided machine learning and deep learning models could be a good and effective solution to resolve such issues with more accurate and efficient AQI forecasting. This research study presents an explainable and comprehensive benchmark that enables a guideline and proposed physics-guided best model by benchmarking classical time-series, machine-learning, and deep-learning approaches for multi-horizon AQI forecasting in North Texas (Dallas County). Using publicly available U.S. Environmental Protection Agency (EPA) daily observations of air quality data from 2022 to 2024, we curate city-level time series for PM2.5 and O3 by aggregating station measurements and constructing lag-wise forecasting datasets for LAG in {1,7,14,30} days. For benchmarking the best model, linear regression (LR), SARIMAX, multilayer perceptrons (MLP), and LSTM networks are evaluated with the proposed physics-guided variants (MLP+Physics and LSTM+Physics) that incorporate the EPA breakpoint-based AQI formulation as a consistency constraint through a weighted loss. Experiments using chronological train-test splits and error metrics MAE, RMSE showed that deep-learning models outperform simpler baselines, while physics guidance improves stability and yields physically consistent pollutant with AQI relationships, with the largest benefits observed for short-horizon prediction and for PM2.5 and O3. Overall, the results provide a practical reference for selecting AQI forecasting models in North Texas and clarify when lightweight physics constraints meaningfully improve predictive performance across pollutants and forecast horizons.

BOOST-RPF: Boosted Sequential Trees for Radial Power Flow

Accurate power flow analysis is critical for modern distribution systems, yet classical solvers face scalability issues, and current machine learning models often struggle with generalization. We introduce BOOST-RPF, a novel method that reformulates voltage prediction from a global graph regression task into a sequential path-based learning problem. By decomposing radial networks into root-to-leaf paths, we leverage gradient-boosted decision trees (XGBoost) to model local voltage-drop regularities. We evaluate three architectural variants: Absolute Voltage, Parent Residual, and Physics-Informed Residual. This approach aligns the model architecture with the recursive physics of power flow, ensuring size-agnostic application and superior out-of-distribution robustness. Benchmarked against the Kerber Dorfnetz grid and the ENGAGE suite, BOOST-RPF achieves state-of-the-art results with its Parent Residual variant which consistently outperforms both analytical and neural baselines in standard accuracy and generalization tasks. While global Multi-Layer Perceptrons (MLPs) and Graph Neural Networks (GNNs) often suffer from performance degradation under topological shifts, BOOST-RPF maintains high precision across unseen feeders. Furthermore, the framework displays linear $O(N)$ computational scaling and significantly increased sample efficiency through per-edge supervision, offering a scalable and generalizable alternative for real-time distribution system operator (DSO) applications.

Amortized Variational Inference for Logistic Regression with Missing Covariates

Missing covariate data pose a significant challenge to statistical inference and machine learning, particularly for classification tasks like logistic regression. Classical iterative approaches (EM, multiple imputation) are often computationally intensive, sensitive to high missingness rates, and limited in uncertainty propagation. Recent deep generative models based on VAEs show promise but rely on complex latent representations. We propose Amortized Variational Inference for Logistic Regression (AV-LR), a unified end-to-end framework for binary logistic regression with missing covariates. AV-LR integrates a probabilistic generative model with a simple amortized inference network, trained jointly by maximizing the evidence lower bound. Unlike competing methods, AV-LR performs inference directly in the space of missing data without additional latent variables, using a single inference network and a linear layer that jointly estimate regression parameters and the missingness mechanism. AV-LR achieves estimation accuracy comparable to or better than state-of-the-art EM-like algorithms, with significantly lower computational cost. It naturally extends to missing-not-at-random settings by explicitly modeling the missingness mechanism. Empirical results on synthetic and real-world datasets confirm its effectiveness and efficiency across various missing-data scenarios.

Fuel Consumption Prediction: A Comparative Analysis of Machine Learning Paradigms

The automotive industry is under growing pressure to reduce its environmental impact, requiring accurate predictive modeling to support sustainable engineering design. This study examines the factors that determine vehicle fuel consumption from the seminal Motor Trend dataset, identifying the governing physical factors of efficiency through rigorous quantitative analysis. Methodologically, the research uses data sanitization, statistical outlier elimination, and in-depth Exploratory Data Analysis (EDA) to curb the occurrence of multicollinearity between powertrain features. A comparative analysis of machine learning paradigms including Multiple Linear Regression, Support Vector Machines (SVM), and Logistic Regression was carried out to assess predictive efficacy. Findings indicate that SVM Regression is most accurate on continuous prediction (R-squared = 0.889, RMSE = 0.326), and is effective in capturing the non-linear relationships between vehicle mass and engine displacement. In parallel, Logistic Regression proved superior for classification (Accuracy = 90.8%) and showed exceptional recall (0.957) when identifying low-efficiency vehicles. These results challenge the current trend toward black-box deep learning architectures for static physical datasets, providing validation of robust performance by interpretable and well-tuned classical models. The research finds that intrinsic vehicle efficiency is fundamentally determined by physical design parameters, weight and displacement, offering a data-driven framework for how manufacturers should focus on lightweighting and engine downsizing to achieve stringent global sustainability goals.

Stability of Sequential and Parallel Coordinate Ascent Variational Inference

We highlight a striking difference in behavior between two widely used variants of coordinate ascent variational inference: the sequential and parallel algorithms. While such differences were known in the numerical analysis literature in simpler settings, they remain largely unexplored in the optimization-focused literature on variational inference in more complex models. Focusing on the moderately high-dimensional linear regression problem, we show that the sequential algorithm, although typically slower, enjoys convergence guarantees under more relaxed conditions than the parallel variant, which is often employed to facilitate block-wise updates and improve computational efficiency.

Enhancing LIME using Neural Decision Trees

Interpreting complex machine learning models is a critical challenge, especially for tabular data where model transparency is paramount. Local Interpretable Model-Agnostic Explanations (LIME) has been a very popular framework for interpretable machine learning, also inspiring many extensions. While traditional surrogate models used in LIME variants (e.g. linear regression and decision trees) offer a degree of stability, they can struggle to faithfully capture the complex non-linear decision boundaries that are inherent in many sophisticated black-box models. This work contributes toward bridging the gap between high predictive performance and interpretable decision-making. Specifically, we propose the NDT-LIME variant that integrates Neural Decision Trees (NDTs) as surrogate models. By leveraging the structured, hierarchical nature of NDTs, our approach aims at providing more accurate and meaningful local explanations. We evaluate its effectiveness on several benchmark tabular datasets, showing consistent improvements in explanation fidelity over traditional LIME surrogates.

Hard labels sampled from sparse targets mislead rotation invariant algorithms

One of the most common machine learning setups is logistic regression. In many classification models, including neural networks, the final prediction is obtained by applying a logistic link function to a linear score. In binary logistic regression, the feedback can be either soft labels, corresponding to the true conditional probability of the data (as in distillation), or sampled hard labels (taking values $\pm 1$). We point out a fundamental problem that arises even in a particularly favorable setting, where the goal is to learn a noise-free soft target of the form $σ(\mathbf{x}^{\top}\mathbf{w}^{\star})$. In the over-constrained case (i.e. the number of samples $n$ exceeds the input dimension $d$) with examples $(\mathbf{x}_i,σ(\mathbf{x}_i^{\top}\mathbf{w}^{\star}))$, it is sufficient to recover $\mathbf{w}^{\star}$ and hence achieve the Bayes risk. However, we prove that when the examples are labeled by hard labels $y_i$ sampled from the same conditional distribution $σ(\mathbf{x}_i^{\top}\mathbf{w}^{\star})$ and $\mathbf{w}^{\star}$ is $s$-sparse, then rotation-invariant algorithms are provably suboptimal: they incur an excess risk $Ω\!\left(\frac{d-1}{n}\right)$, while there are simple non-rotation invariant algorithms with excess risk $O(\frac{s\log d}{n})$. The simplest rotation invariant algorithm is gradient descent on the logistic loss (with early stopping). A simple non-rotation-invariant algorithm for sparse targets that achieves the above upper bounds uses gradient descent on the weights $u_i,v_i$, where now the linear weight $w_i$ is reparameterized as $u_iv_i$.

Behavioral Engagement in VR-Based Sign Language Learning: Visual Attention as a Predictor of Performance and Temporal Dynamics

This study analyzes behavioral engagement in SONAR, a virtual reality application designed for sign language training and validation. We focus on three automatically derived engagement indicators (Visual Attention (VA), Video Replay Frequency (VRF), and Post-Playback Viewing Time (PPVT)) and examine their relationship with learning performance. Participants completed a self-paced Training phase, followed by a Validation quiz assessing retention. We employed Pearson correlation analysis to examine the relationships between engagement indicators and quiz performance, followed by binomial Generalized Linear Model (GLM) regression to assess their joint predictive contributions. Additionally, we conducted temporal analysis by aggregating moment-to-moment VA traces across all learners to characterize engagement dynamics during the learning session. Results show that VA exhibits a strong positive correlation with quiz performance,followed by PPVT, whereas VRF shows no meaningful association. A binomial GLM confirms that VA and PPVT are significant predictors of learning success, jointly explaining a substantial proportion of performance variance. Going beyond outcome-oriented analysis, we characterize temporal engagement patterns by aggregating moment-to-moment VA traces across all learners. The temporal profile reveals distinct attention peaks aligned with informationally dense segments of both training and validation videos, as well as phase-specific engagement dynamics, including initial acclimatization, oscillatory attention cycles during learning, and pronounced attentional peaks during assessment. Together, these findings highlight the central role of sustained and strategically allocated visual attention in VR-based sign language learning and demonstrate the value of behavioral trace data for understanding and predicting learner engagement in immersive environments.

Terahertz Beamforming and Group Sparse Channel Estimation Relying on Low-Resolution ADCs in MU Hybrid MIMO systems

A unified beamforming and channel estimation framework relying on Bayesian learning is conceived. Recognizing the limitations imposed by low-resolution analog-to-digital converter (ADCs) and frequency-dependent propagation effects occurring in the Terahertz (THz) band, we formulate a dual-wideband channel model incorporating root raised cosine (RRC) pulse shaping. To address the non-linear distortions introduced by low-resolution ADCs, Bussgang decomposition is employed, leading to a tractable linearized inference process. By leveraging the shared sparsity inherent in a multi-user (MU) scenario of THz systems, we propose a Hierarchical Bayesian Group-sparse Regression (HBG-SR) based channel learning technique that exploits the group-sparse structure of THz band channels. The estimated dominant angle-of-arrival/ angle-of-departure (AoA/AoD) indices are then exploited for appropriately configuring the true-time-delay (TTD) elements in the hybrid transceiver, enabling precise beam alignment across subcarriers and the effective compensation of the beam-squint effect occurring in wideband THz systems. Extensive simulation results validate the efficiency of the proposed channel estimator and the TTD-aided beamforming architecture, highlighting their robustness and performance gains under practical wideband THz system constraints.

Exponential Family Discriminant Analysis: Generalizing LDA-Style Generative Classification to Non-Gaussian Models

We introduce Exponential Family Discriminant Analysis (EFDA), a unified generative framework that extends classical Linear Discriminant Analysis (LDA) beyond the Gaussian setting to any member of the exponential family. Under the assumption that each class-conditional density belongs to a common exponential family, EFDA derives closed-form maximum-likelihood estimators for all natural parameters and yields a decision rule that is linear in the sufficient statistic, recovering LDA as a special case and capturing nonlinear decision boundaries in the original feature space. We prove that EFDA is asymptotically calibrated and statistically efficient under correct specification, and we generalise it to $K \geq 2$ classes and multivariate data. Through extensive simulation across five exponential-family distributions (Weibull, Gamma, Exponential, Poisson, Negative Binomial), EFDA matches the classification accuracy of LDA, QDA, and logistic regression while reducing Expected Calibration Error (ECE) by $2$--$6\times$, a gap that is \emph{structural}: it persists for all $n$ and across all class-imbalance levels, because misspecified models remain asymptotically miscalibrated. We further prove and empirically confirm that EFDA's log-odds estimator approaches the Cramér-Rao bound under correct specification, and is the only estimator in our comparison whose mean squared error converges to zero. Complete derivations are provided for nine distributions. Finally, we formally verify all four theoretical propositions in Lean 4, using Aristotle (Harmonic) and OpenGauss (Math, Inc.) as proof generators, with all outputs independently machine-checked by AXLE (Axiom).