Groundwater is eventually undermined by human exercises, such as fast industrialization, urbanization, over-extraction, and contamination from agrarian and urban sources. From among the different contaminants, the presence of heavy metals like cadmium (Cd), chromium (Cr), arsenic (As), and lead (Pb) proves to have serious dangers when present in huge concentrations in groundwater. Long-term usage of these poisonous components may lead to neurological disorders, kidney failure and different sorts of cancer. To address these issues, this study developed a machine learning-based predictive model to evaluate the Groundwater Quality Index (GWQI) and identify the main contaminants which are affecting the water quality. It has been achieved with the help of a hybrid machine learning model i.e. LCBoost Fusion . The model has undergone several processes like data preprocessing, hyperparameter tuning using Differential Evolution (DE) optimization, and evaluation through cross-validation. The LCBoost Fusion model outperforms individual models (CatBoost and LightGBM), by achieving low RMSE (0.6829), MSE (0.5102), MAE (0.3147) and a high R$^2$ score of 0.9809. Feature importance analysis highlights Potassium (K), Fluoride (F) and Total Hardness (TH) as the most influential indicators of groundwater contamination. This research successfully demonstrates the application of machine learning in assessing groundwater quality risks in Odisha. The proposed LCBoost Fusion model offers a reliable and efficient approach for real-time groundwater monitoring and risk mitigation. These findings will help the environmental organizations and the policy makers to map out targeted places for sustainable groundwater management. Future work will focus on using remote sensing data and developing an interactive decision-making system for groundwater quality assessment.

The selection of penalty hyperparameters is a critical aspect in Nonnegative Matrix Factorization (NMF), since these values control the trade-off between the reconstruction accuracy and the adherence to desired constraints. In this work, we focus on an NMF problem involving the Itakura-Saito (IS) divergence, effective for extracting low spectral density components from spectrograms of mixed signals, enhanced with sparsity constraints. We propose a new algorithm called SHINBO, which introduces a bi-level optimization framework to automatically and adaptively tune the row-dependent penalty hyperparameters, enhancing the ability of IS-NMF to isolate sparse, periodic signals against noise. Experimental results showed SHINBO ensures precise spectral decomposition and demonstrates superior performance in both synthetic and real-world applications. For the latter, SHINBO is particularly useful, as noninvasive vibration-based fault detection in rolling bearings, where the desired signal components often reside in high-frequency subbands but are obscured by stronger, spectrally broader noise. By addressing the critical issue of hyperparameter selection, SHINBO advances the state-of-the-art in signal recovery for complex, noise-dominated environments.

Failure of machine learning models to generalize to new data is a core problem limiting the reliability of AI systems, partly due to the lack of simple and robust methods for comparing new data to the original training dataset. We propose a standardized approach for assessing data similarity in a model-agnostic manner by constructing a supervised autoencoder for generalizability estimation (SAGE). We compare points in a low-dimensional embedded latent space, defining empirical probability measures for k -Nearest Neighbors (kNN) distance, reconstruction of inputs and task-based performance. As proof of concept for classification tasks, we use MNIST and CIFAR-10 to demonstrate how an ensemble output probability score can separate deformed images from a mixture of typical test examples, and how this SAGE score is robust to transformations of increasing severity. As further proof of concept, we extend this approach to a regression task using non-imaging data (UCI Abalone). In all cases, we show that out-of-the-box model performance increases after SAGE score filtering, even when applied to data from the model's own training and test datasets. Our out-of-distribution scoring method can be introduced during several steps of model construction and assessment, leading to future improvements in responsible deep learning implementation. 1 Background The presence of generalization gaps, where machine learning performance degrades when a trained model encounters previously-unseen data, represents a critical ongoing challenge in the implementation of AI systems.

Motivation: Biomedical studies increasingly produce multi-view high-dimensional datasets (e.g., multi-omics) that demand integrative analysis. Existing canonical correlation analysis (CCA) and generalized CCA methods address at most two of the following three key aspects simultaneously: (i) nonlinear dependence, (ii) sparsity for variable selection, and (iii) generalization to more than two data views. There is a pressing need for CCA methods that integrate all three aspects to effectively analyze multi-view high-dimensional data. Results: We propose three nonlinear, sparse, generalized CCA methods, HSIC-SGCCA, SA-KGCCA, and TS-KGCCA, for variable selection in multi-view high-dimensional data. These methods extend existing SCCA-HSIC, SA-KCCA, and TS-KCCA from two-view to multi-view settings. While SA-KGCCA and TS-KGCCA yield multi-convex optimization problems solved via block coordinate descent, HSIC-SGCCA introduces a necessary unit-variance constraint previously ignored in SCCA-HSIC, resulting in a nonconvex, non-multiconvex problem. We efficiently address this challenge by integrating the block prox-linear method with the linearized alternating direction method of multipliers. Simulations and TCGA-BRCA data analysis demonstrate that HSIC-SGCCA outperforms competing methods in multi-view variable selection. Availability and implementation: Code is available at https://github.com/Rows21/NSGCCA.

In statistics, generalized linear models (GLMs) are widely used for modeling data and can expressively capture potential nonlinear dependence of the model's outcomes on its covariates. Within the broad family of GLMs, those with binary outcomes, which include logistic and probit regressions, are motivated by common tasks such as binary classification with (possibly) non-separable data. In addition, in modern machine learning and statistics, data is often high-dimensional yet has a low intrinsic dimension, making sparsity constraints in models another reasonable consideration. In this work, we propose to use and analyze an iterative hard thresholding (projected gradient descent on the ReLU loss) algorithm, called binary iterative hard thresholding (BIHT), for parameter estimation in sparse GLMs with binary outcomes. We establish that BIHT is statistically efficient and converges to the correct solution for parameter estimation in a general class of sparse binary GLMs. Unlike many other methods for learning GLMs, including maximum likelihood estimation, generalized approximate message passing, and GLM-tron (Kakade et al. 2011; Bahmani et al. 2016), BIHT does not require knowledge of the GLM's link function, offering flexibility and generality in allowing the algorithm to learn arbitrary binary GLMs. As two applications, logistic and probit regression are additionally studied. In this regard, it is shown that in logistic regression, the algorithm is in fact statistically optimal in the sense that the order-wise sample complexity matches (up to logarithmic factors) the lower bound obtained previously. To the best of our knowledge, this is the first work achieving statistical optimality for logistic regression in all noise regimes with a computationally efficient algorithm. Moreover, for probit regression, our sample complexity is on the same order as that obtained for logistic regression.

This paper considers the challenging computational task of estimating nested expectations. Existing algorithms, such as nested Monte Carlo or multilevel Monte Carlo, are known to be consistent but require a large number of samples at both inner and outer levels to converge. Instead, we propose a novel estimator consisting of nested kernel quadrature estimators and we prove that it has a faster convergence rate than all baseline methods when the integrands have sufficient smoothness. We then demonstrate empirically that our proposed method does indeed require fewer samples to estimate nested expectations on real-world applications including Bayesian optimisation, option pricing, and health economics.

The label ranking problem is a supervised learning scenario in which the learner predicts a total order of the class labels for a given input instance. Recently, research has increasingly focused on the partial label ranking problem, a generalization of the label ranking problem that allows ties in the predicted orders. So far, most existing learning approaches for the partial label ranking problem rely on approximation algorithms for rank aggregation in the final prediction step. This paper explores several alternative aggregation methods for this critical step, including scoring-based and probabilistic-based rank aggregation approaches. To enhance their suitability for the more general partial label ranking problem, the investigated methods are extended to increase the likelihood of producing ties. Experimental evaluations on standard benchmarks demonstrate that scoring-based variants consistently outperform the current state-of-the-art method in handling incomplete information. In contrast, probabilistic-based variants fail to achieve competitive performance.

Next-generation galaxy surveys promise unprecedented precision in testing gravity at cosmological scales. However, realising this potential requires accurately modelling the non-linear cosmic web. We address this challenge by exploring conditional generative modelling to create 3D dark matter density fields via score-based (diffusion) and flow-based methods. Our results demonstrate the power of diffusion models to accurately reproduce the matter power spectra and bispectra, even for unseen configurations. They also offer a significant speed-up with slightly reduced accuracy, when flow-based reconstructing the probability distribution function, but they struggle with higher-order statistics. To improve conditional generation, we introduce a novel multi-output model to develop feature representations of the cosmological parameters. Our findings offer a powerful tool for exploring deviations from standard gravity, combining high precision with reduced computational cost, thus paving the way for more comprehensive and efficient cosmological analyses null .

--Incipient slip detection provides critical feedback for robotic grasping and manipulation tasks. However, maintaining its adaptability under diverse object properties and complex working conditions remains challenging. This article highlights the importance of completely representing spatiotemporal features of slip, and proposes a novel approach for incipient slip modeling and detection. Based on the analysis of localized displacement phenomenon, we establish the relationship between the characteristic strain rate extreme events and the local slip state. This approach enables the detection of both the spatial distribution and temporal dynamics of stick -slip regions. Also, the proposed method can be applied to strain distribution sensing devices, such as vis ion-based tactile sensors. Simulations and prototype experiments validated the effectiveness of this approach under varying contact conditions, including different contact geometries, friction coefficients, and combined loads. Experiments demonstrated that this method not only accurately and reliably delineates incipient slip, but also facilitates friction parameter estimation and adaptive grasping control. INTRODUCTION ACTILE perception plays a crucial role in stable grasping and dexterous manipulation in humans [1]. Neuroscientific studies show that humans can identify the frictional parameters of objects they touch with over 90% accuracy [2], and quickly adjust the grasp force within about 200 milliseconds to prevent slipping [3]. This ability enables humans to adapt to changes in friction levels based on tactile feedback and apply proper force to ensure s tability while maintaining gentle grasping [4]. The perception of incipient slip is an effective means for friction parameter recognition and grasp force control [5],[6]. Incipient slip is an intermediate state between complete sticking and full slipping of the contact surface, as shown in Figure 1. When a tangential load is applied to the contact surface, slip first occurs at the contact edge. It gradually spreads inward, eventually covering the entire stick region [7]. This work was supported by the National Natural Science Foundation of China under Grant 52375017. We refer to these two characteristics of incipient slip as spatial and temporal characteristics: spatial characteristics refer to the distribution of the stick -slip reg ion at a given moment, while temporal characteristics describe the time evolution of local slip. These characteristics are widely present in human tactile perception. According to existing research, Human sensory information is encoded by neural populations to capture spatial distribution, rather than being transmitted by individual neurons. Besides, skin deformation can be influenced by the loading history [9].

Lennard-Jones (LJ) fluids serve as an important theoretical framework for understanding molecular interactions. Binary LJ fluids, where two distinct species of particles interact based on the LJ potential, exhibit rich phase behavior and provide valuable insights of complex fluid mixtures. Here we report the construction and utility of an artificial intelligence (AI) model for binary LJ fluids, focusing on their effectiveness in predicting radial distribution functions (RDFs) across a range of conditions. The RDFs of a binary mixture with varying compositions and temperatures are collected from molecular dynamics (MD) simulations to establish and validate the AI model. In this AI pipeline, RDFs are discretized in order to reduce the output dimension of the model. This, in turn, improves the efficacy, and reduce the complexity of an AI RDF model. The model is shown to predict RDFs for many unknown mixtures very accurately, especially outside the training temperature range. Our analysis suggests that the particle size ratio has a higher order impact on the microstructure of a binary mixture. We also highlight the areas where the fidelity of the AI model is low when encountering new regimes with different underlying physics.