Sensor-based sorting systems enable the physical separation of a material stream into two fractions. The sorting decision is based on the image data evaluation of the sensors used and is carried out using actuators. Various process parameters must be set depending on the properties of the material stream, the dimensioning of the system, and the required sorting accuracy. However, continuous verification and re-adjustment are necessary due to changing requirements and material stream compositions. In this paper, we introduce an approach for optimizing, recurrently monitoring and adjusting the process parameters of a sensor-based sorting system. Based on Bayesian Optimization, Gaussian process regression models are used as surrogate models to achieve specific requirements for system behavior with the uncertainties contained therein. This method minimizes the number of necessary experiments while simultaneously considering two possible optimization targets based on the requirements for both material output streams. In addition, uncertainties are considered during determining sorting accuracies in the model calculation. We evaluated the method with three example process parameters.

Scanning Electron Microscopy (SEM) images often suffer from noise contamination, which degrades image quality and affects further analysis. This research presents a complete approach to estimate their Signal-to-Noise Ratio (SNR) and noise variance (NV), and enhance image quality using NV-guided Wiener filter. The main idea of this study is to use a good SNR estimation technique and infuse a machine learning model to estimate NV of the SEM image, which then guides the wiener filter to remove the noise, providing a more robust and accurate SEM image filtering pipeline. First, we investigate five different SNR estimation techniques, namely Nearest Neighbourhood (NN) method, First-Order Linear Interpolation (FOL) method, Nearest Neighbourhood with First-Order Linear Interpolation (NN+FOL) method, Non-Linear Least Squares Regression (NLLSR) method, and Linear Least Squares Regression (LSR) method. It is shown that LSR method to perform better than the rest. Then, Support Vector Machines (SVM) and Gaussian Process Regression (GPR) are tested by pairing it with LSR. In this test, the Optimizable GPR model shows the highest accuracy and it stands as the most effective solution for NV estimation. Combining these results lead to the proposed Adaptive Optimizable Gaussian Process Regression Linear Least Squares Regression (AO-GPRLLSR) Filtering pipeline. The AO-GPRLLSR method generated an estimated noise variance which served as input to NV-guided Wiener filter for improving the quality of SEM images. The proposed method is shown to achieve notable success in estimating SNR and NV of SEM images and leads to lower Mean Squared Error (MSE) after the filtering process.

--Low-latency localization is critical in cellular networks to support real-time applications requiring precise positioning. In this paper, we propose a distributed machine learning (ML) framework for fingerprint-based localization tailored to cell-free massive multiple-input multiple-output (MIMO) systems, an emerging architecture for 6G networks. The proposed framework enables each access point (AP) to independently train a Gaussian process regression model using local angle-of-arrival and received signal strength fingerprints. These models provide probabilistic position estimates for the user equipment (UE), which are then fused by the UE with minimal computational overhead to derive a final location estimate. This decentralized approach eliminates the need for fronthaul communication between the APs and the central processing unit (CPU), thereby reducing latency. Additionally, distributing computational tasks across the APs alleviates the processing burden on the CPU compared to traditional centralized localization schemes. Simulation results demonstrate that the proposed distributed framework achieves localization accuracy comparable to centralized methods, despite lacking the benefits of centralized data aggregation. Moreover, it effectively reduces uncertainty of the location estimates, as evidenced by the 95% covariance ellipse. The results highlight the potential of distributed ML for enabling low-latency, high-accuracy localization in future 6G networks. The next-generation 6G mobile communication is expected to revolutionize wireless communication systems, with integrated sensing and communication (ISAC) playing a key role in enabling advanced connectivity.

--Probabilistic models are often used to make predictions in regions of the data space where no observations are available, but it is not always clear whether such predictions are well-informed by previously seen data. In this paper, we propose a knowledge score for predictions from Gaussian process regression (GPR) models that quantifies the extent to which observing data have reduced our uncertainty about a prediction. The knowledge score is interpretable and naturally bounded between 0 and 1. We demonstrate in several experiments that the knowledge score can anticipate when predictions from a GPR model are accurate, and that this anticipation improves performance in tasks such as anomaly detection, extrapolation, and missing data imputation. Index T erms --anomaly detection, Gaussian processes, regression models, trustworthy machine learning, predictive distributions. The task of prediction is of fundamental importance in many domains.

Materials design problems often require optimizing multiple variables, rendering full factorial exploration impractical. Design of experiment (DOE) methods, such as Taguchi technique, are commonly used to efficiently sample the design space but they inherently lack the ability to capture non-linear dependency of process variables. In this work, we demonstrate how machine learning (ML) methods can be used to overcome these limitations. We compare the performance of Taguchi method against an active learning based Gaussian process regression (GPR) model in a wire arc additive manufacturing (WAAM) process to accurately predict aspects of bead geometry, including penetration depth, bead width, and height. While Taguchi method utilized a three-factor, five-level L25 orthogonal array to suggest weld parameters, the GPR model used an uncertainty-based exploration acquisition function coupled with latin hypercube sampling for initial training data. Accuracy and efficiency of both models was evaluated on 15 test cases, with GPR outperforming Taguchi in both metrics. This work applies to broader materials processing domain requiring efficient exploration of complex parameters.

The composite current source (CCS) model has been adopted as an advanced timing model that represents the current behavior of cells for improved accuracy and better capability than traditional non-linear delay models (NLDM) to model complex dynamic effects and interactions under advanced process nodes. However, the high accuracy requirement, large amount of data and extensive simulation cost pose severe challenges to CCS characterization. To address these challenges, we introduce a novel Gaussian Process Regression(GPR) model with active learning(AL) to establish the characterization framework efficiently and accurately. Our approach significantly outperforms conventional commercial tools as well as learning based approaches by achieving an average absolute error of 2.05 ps and a relative error of 2.27% for current waveform of 57 cells under 9 process, voltage, temperature (PVT) corners with TSMC 22nm process. Additionally, our model drastically reduces the runtime to 27% and the storage by up to 19.5x compared with that required by commercial tools.

Obtaining accurate transition state (TS) energies is a bottleneck in computational screening of complex materials and reaction networks due to the high cost of TS search methods and first-principles methods such as density functional theory (DFT). Here we propose a machine learning (ML) model for predicting TS energies based on Gaussian process regression with the Wasserstein Weisfeiler-Lehman graph kernel (WWL-GPR). Applying the model to predict adsorption and TS energies for the reverse water-gas shift (RWGS) reaction on single-atom alloy (SAA) catalysts, we show that it can significantly improve the accuracy compared to traditional approaches based on scaling relations or ML models without a graph representation. Further benefitting from the low cost of model training, we train an ensemble of WWL-GPR models to obtain uncertainties through subsampling of the training data and show how these uncertainties propagate to turnover frequency (TOF) predictions through the construction of an ensemble of microkinetic models. Comparing the errors in model-based vs DFT-based TOF predictions, we show that the WWL-GPR model reduces errors by almost an order of magnitude compared to scaling relations. This demonstrates the critical impact of accurate energy predictions on catalytic activity estimation. Finally, we apply our model to screen new materials, identifying promising catalysts for RWGS. This work highlights the power of combining advanced ML techniques with DFT and microkinetic modeling for screening catalysts for complex reactions like RWGS, providing a robust framework for future catalyst design.

Surrogate models provide efficient alternatives to computationally demanding real-world processes but often require large datasets for effective training. A promising solution to this limitation is the transfer of pre-trained surrogate models to new tasks. Previous studies have investigated the transfer of differentiable and non-differentiable surrogate models, typically assuming an affine transformation between the source and target functions. This paper extends previous research by addressing a broader range of transformations, including linear and nonlinear variations. Specifically, we consider the combination of an unknown input warping, such as one modelled by the beta cumulative distribution function, with an unspecified affine transformation. Our approach achieves transfer learning by employing a limited number of data points from the target task to optimize these transformations, minimizing empirical loss on the transfer dataset. We validate the proposed method on the widely used Black-Box Optimization Benchmark (BBOB) testbed and a real-world transfer learning task from the automobile industry. The results underscore the significant advantages of the approach, revealing that the transferred surrogate significantly outperforms both the original surrogate and the one built from scratch using the transfer dataset, particularly in data-scarce scenarios.

To mitigate the rising concern about privacy leakage, the federated recommender (FR) paradigm emerges, in which decentralized clients co-train the recommendation model without exposing their raw user-item rating data. The differentially private federated recommender (DPFR) further enhances FR by injecting differentially private (DP) noises into clients. Yet, current DPFRs, suffering from noise distortion, cannot achieve satisfactory accuracy. Various efforts have been dedicated to improving DPFRs by adaptively allocating the privacy budget over the learning process. However, due to the intricate relation between privacy budget allocation and model accuracy, existing works are still far from maximizing DPFR accuracy. To address this challenge, we develop BGTplanner (Budget Planner) to strategically allocate the privacy budget for each round of DPFR training, improving overall training performance. Specifically, we leverage the Gaussian process regression and historical information to predict the change in recommendation accuracy with a certain allocated privacy budget. Additionally, Contextual Multi-Armed Bandit (CMAB) is harnessed to make privacy budget allocation decisions by reconciling the current improvement and long-term privacy constraints. Our extensive experimental results on real datasets demonstrate that \emph{BGTplanner} achieves an average improvement of 6.76\% in training performance compared to state-of-the-art baselines.

GPR models can also incorporate prior knowledge through selecting an appropriate kernel function. GPR commonly assumes a homoscedastic Gaussian distribution for observation noise because this yields an analytical form for the posterior predictive prediction. However, Bayesian inference based on Gaussian noise distributions is known to be sensitive to outliers which are defined as observations that strongly deviate from model assumptions. In regression, outliers can arise from relevant inputs being absent from the model, measurement error, and other unknown sources. These outliers are associated with unconsidered sources of variation that affect the target variable sporadically. In this case, the observation model is unable to distinguish between random noise and systematic effects not captured by the model. In the context of GPR under Gaussian noise, outliers can heavily influence the posterior predictive distribution, resulting in a biased estimate of the mean function and overly confident prediction intervals. Therefore, robust observation models are desired in the presence of potential outliers.