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Introduction: Pen-on-paper pain drawing are an easily administered self-reported measure that enables patients to report the spatial distribution of their pain. The digitalization of pain drawings has facilitated the extraction of quantitative metrics, such as pain extent and location. This study aimed to assess the reliability of pen-on-paper pain drawing analysis conducted by an automated pain-spot recognition algorithm using various scanning procedures., Methods: One hundred pain drawings, completed by patients experiencing somatic pain, were repeatedly scanned using diverse technologies and devices. Seven datasets were created, enabling reliability assessments including inter-device, inter-scanner, inter-mobile, inter-software, intra- and inter-operator. Subsequently, the automated pain-spot recognition algorithm estimated pain extent and location values for each digitized pain drawing. The relative reliability of pain extent analysis was determined using the intraclass correlation coefficient, while absolute reliability was evaluated through the standard error of measurement and minimum detectable change. The reliability of pain location analysis was computed using the Jaccard similarity index., Results: The reliability analysis of pain extent consistently yielded intraclass correlation coefficient values above 0.90 for all scanning procedures, with standard error of measurement ranging from 0.03% to 0.13% and minimum detectable change from 0.08% to 0.38%. The mean Jaccard index scores across all dataset comparisons exceeded 0.90., Conclusions: The analysis of pen-on-paper pain drawings demonstrated excellent reliability, suggesting that the automated pain-spot recognition algorithm is unaffected by scanning procedures. These findings support the algorithm's applicability in both research and clinical practice., Competing Interests: Disclosures and Acknowledgments No conflict of interest exists in the submission of this manuscript, and the manuscript is approved by all authors for publication., (Copyright © 2023 The Authors. Published by Elsevier Inc. All rights reserved.)

Background: In the healthcare domain today, despite the substantial adoption of electronic health information systems, a significant proportion of medical reports still exist in paper-based formats. As a result, there is a significant demand for the digitization of information from these paper-based reports. However, the digitization of paper-based laboratory reports into a structured data format can be challenging due to their non-standard layouts, which includes various data types such as text, numeric values, reference ranges, and units. Therefore, it is crucial to develop a highly scalable and lightweight technique that can effectively identify and extract information from laboratory test reports and convert them into a structured data format for downstream tasks., Methods: We developed an end-to-end Natural Language Processing (NLP)-based pipeline for extracting information from paper-based laboratory test reports. Our pipeline consists of two main modules: an optical character recognition (OCR) module and an information extraction (IE) module. The OCR module is applied to locate and identify text from scanned laboratory test reports using state-of-the-art OCR algorithms. The IE module is then used to extract meaningful information from the OCR results to form digitalized tables of the test reports. The IE module consists of five sub-modules, which are time detection, headline position, line normalization, Named Entity Recognition (NER) with a Conditional Random Fields (CRF)-based method, and step detection for multi-column. Finally, we evaluated the performance of the proposed pipeline on 153 laboratory test reports collected from Peking University First Hospital (PKU1)., Results: In the OCR module, we evaluate the accuracy of text detection and recognition results at three different levels and achieved an averaged accuracy of 0.93. In the IE module, we extracted four laboratory test entities, including test item name, test result, test unit, and reference value range. The overall F1 score is 0.86 on the 153 laboratory test reports collected from PKU1. With a single CPU, the average inference time of each report is only 0.78 s., Conclusion: In this study, we developed a practical lightweight pipeline to digitalize and extract information from paper-based laboratory test reports in diverse types and with different layouts that can be adopted in real clinical environments with the lowest possible computing resources requirements. The high evaluation performance on the real-world hospital dataset validated the feasibility of the proposed pipeline., (© 2023. The Author(s).)

Systematic reviews rely on identification of studies, initially through electronic searches yielding potentially thousands of studies, and then reviewer-led screening studies for inclusion. This standard method is time- and resource-intensive. We designed and applied an algorithm written in Python involving computer-aided identification of keywords within each paper for an exemplar systematic review of arm impairment after stroke. The standard method involved reading each abstract searching for these keywords. We compared the methods in terms of accuracy in identification of keywords, abstracts' eligibility, and time taken to make a decision about eligibility. For external validation, we adapted the algorithm for a different systematic review, and compared eligible studies using the algorithm with those included in that review. For the exemplar systematic review, the algorithm failed on 72 out of 2,789 documents retrieved (2.6%). Both methods identified the same 610 studies for inclusion. Based on a sample of 21 randomly selected abstracts, the standard screening took 1.58 ± 0.26 min per abstract. Computer output screening took 0.43 ± 0.14 min per abstract. The mean difference between the two methods was 1.15 min ( P  < 0.0001), saving 73% per abstract. For the other systematic review, use of the algorithm resulted in the same studies being identified. One study was excluded based on the interpretation of the comparison intervention. Our purpose-built software was an accurate and significantly time-saving method for identifying eligible abstracts for inclusion in systematic reviews. This novel method could be adapted for other systematic reviews in future for the benefit of authors, reviewers and editors., (Copyright © 2023 Wolters Kluwer Health, Inc. All rights reserved.)

The amount of available scientific literature is increasing, and studies have proposed various methods for evaluating document-document similarity in order to cluster or classify documents for science mapping and knowledge discovery. In this paper, we propose hybrid methods for bibliographic coupling (BC) and linear evaluation of text or content similarity: We combined BC with BM25, Cosine, and PMRA to compare their performances with single methods in paper recommendation tasks using TREC Genomics Track 2005datasets. For paper recommendation, BC and text-based methods complement each other, and hybrid methods were better than single methods. The combinations of BC with BM25 and BC with Cosine performed better than BC with PMRA. The performances were best when the weights of BM25, Cosine, and PMRA were 0.025, 0.2, and 0.2, respectively, in hybrid methods. For paper recommendation, the combinations of BC with text-based methods were better than BC or text-based methods used alone. The choice of method should depend on the actual data and research needs. In the future, the underlying reasons for the differences in performance and the specific part or type of information they complement in text clustering or recommendation need to be examined.

In recent years, the wide application of deep neural network models has brought serious risks of intellectual property rights infringement. Embedding a watermark in a network model is an effective solution to protect intellectual property rights. Although researchers have proposed schemes to add watermarks to models, they cannot prevent attackers from adding and overwriting original information, and embedding rates cannot be quantified. Therefore, aiming at these problems, this paper designs a high embedding rate and tamper-proof watermarking scheme. We employ wet paper coding (WPC), in which important parameters are regarded as wet blocks and the remaining unimportant parameters are regarded as dry blocks in the model. To obtain the important parameters more easily, we propose an optimized probabilistic selection strategy (OPSS). OPSS defines the unimportant-level function and sets the importance threshold to select the important parameter positions and to ensure that the original function is not affected after the model parameters are changed. We regard important parameters as an unmodifiable part, and only modify the part that includes the unimportant parameters. We selected the MNIST, CIFAR-10, and ImageNet datasets to test the performance of the model after adding a watermark and to analyze the fidelity, robustness, embedding rate, and comparison schemes of the model. Our experiment shows that the proposed scheme has high fidelity and strong robustness along with a high embedding rate and the ability to prevent malicious tampering.

Today, computer graphics and graphic image processing techniques have been widely used in daily life and industrial production. Due to the development of computers, computer graphics has brought more convenience to our daily life. In order to give full play to the value of computers, this paper takes the Hakka paper-cut art with local characteristics as the starting point, first of all its development history, artistic characteristics, compositional forms, expression techniques, cultural connotations, Hakka paper-cut patterns, and the symbolic meaning of folk customs, and then we design a visualization system for the paper-cut works of Gannan Hakka based on computer graphics. In addition, the system provides a solution for the integration of Gannan Hakka paper-cut art and Jiangxi native product packaging design and provides a reference for the theory and practice of modern native product packaging design., Competing Interests: The author declares that he has no conflicts of interest., (Copyright © 2022 Xingping Li.)

Introduction: Participation from racial and ethnic minorities in clinical trials has been burdened by issues surrounding mistrust and access to healthcare. There is emerging use of machine learning (ML) in clinical trial recruitment and evaluation. However, for individuals from groups who are recipients of societal biases, utilisation of ML can lead to the creation and use of biased algorithms. To minimise bias, the design of equitable ML tools that advance health equity could be guided by community engagement processes. The Howard University Partnership with the National Institutes of Health for Equitable Clinical Trial Participation for Racial/Ethnic Communities Underrepresented in Research (HoPeNET) seeks to create an ML-based infrastructure from community advisory board (CAB) experiences to enhance participation of African-Americans/Blacks in clinical trials., Methods and Analysis: This triphased cross-sectional study (24 months, n=56) will create a CAB of community members and research investigators. The three phases of the study include: (1) identification of perceived barriers/facilitators to clinical trial engagement through qualitative/quantitative methods and systems-based model building participation; (2) operation of CAB meetings and (3) development of a predictive ML tool and outcome evaluation. Identified predictors from the participant-derived systems-based map will be used for the ML tool development., Ethics and Dissemination: We anticipate minimum risk for participants. Institutional review board approval and informed consent has been obtained and patient confidentiality ensured., Competing Interests: Competing interests: None declared., (© Author(s) (or their employer(s)) 2022. Re-use permitted under CC BY-NC. No commercial re-use. See rights and permissions. Published by BMJ.)

In the last 15 years, the segmentation of vessels in retinal images has become an intensively researched problem in medical imaging, with hundreds of algorithms published. One of the de facto benchmarking data sets of vessel segmentation techniques is the DRIVE data set. Since DRIVE contains a predefined split of training and test images, the published performance results of the various segmentation techniques should provide a reliable ranking of the algorithms. Including more than 100 papers in the study, we performed a detailed numerical analysis of the coherence of the published performance scores. We found inconsistencies in the reported scores related to the use of the field of view (FoV), which has a significant impact on the performance scores. We attempted to eliminate the biases using numerical techniques to provide a more realistic picture of the state of the art. Based on the results, we have formulated several findings, most notably: despite the well-defined test set of DRIVE, most rankings in published papers are based on non-comparable figures; in contrast to the near-perfect accuracy scores reported in the literature, the highest accuracy score achieved to date is 0.9582 in the FoV region, which is 1% higher than that of human annotators. The methods we have developed for identifying and eliminating the evaluation biases can be easily applied to other domains where similar problems may arise., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2021 Elsevier B.V. All rights reserved.)

Analysing data from educational tests allows governments to make decisions for improving the quality of life of individuals in a society. One of the key responsibilities of statisticians is to develop models that provide decision-makers with pertinent information about the latent process that educational tests seek to represent. Mixtures of t $$ t $$ factor analysers (MtFA) have emerged as a powerful device for model-based clustering and classification of high-dimensional data containing one or several groups of observations with fatter tails or anomalous outliers. This paper considers an extension of MtFA for robust clustering of censored data, referred to as the MtFAC model, by incorporating external covariates. The enhanced flexibility of including covariates in MtFAC enables cluster-specific multivariate regression analysis of dependent variables with censored responses arising from upper and/or lower detection limits of experimental equipment. An alternating expectation conditional maximization (AECM) algorithm is developed for maximum likelihood estimation of the proposed model. Two simulation experiments are conducted to examine the effectiveness of the techniques presented. Furthermore, the proposed methodology is applied to Peruvian data from the 2007 Early Grade Reading Assessment, and the results obtained from the analysis provide new insights regarding the reading skills of Peruvian students., (© 2023 British Psychological Society.)

Literature screening is the process of identifying all relevant records from a pool of candidate paper records in systematic review, meta-analysis, and other research synthesis tasks. This process is time consuming, expensive, and prone to human error. Screening prioritization methods attempt to help reviewers identify most relevant records while only screening a proportion of candidate records with high priority. In previous studies, screening prioritization is often referred to as automatic literature screening or automatic literature identification. Numerous screening prioritization methods have been proposed in recent years. However, there is a lack of screening prioritization methods with reliable performance. Our objective is to develop a screening prioritization algorithm with reliable performance for practical use, for example, an algorithm that guarantees an 80% chance of identifying at least 80 % of the relevant records. Based on a target-based method proposed in Cormack and Grossman, we propose a screening prioritization algorithm using sampling with replacement. The algorithm is a wrapper algorithm that can work with any current screening prioritization algorithm to guarantee the performance. We prove, with mathematics and probability theory, that the algorithm guarantees the performance. We also run numeric experiments to test the performance of our algorithm when applied in practice. The numeric experiment results show this algorithm achieve reliable performance under different circumstances. The proposed screening prioritization algorithm can be reliably used in real world research synthesis tasks., (© 2024 The Authors. Research Synthesis Methods published by John Wiley & Sons Ltd.)

Interaction between proteins and nucleic acids is crucial to many cellular activities. Accurately detecting nucleic acid-binding residues (NABRs) in proteins can help researchers better understand the interaction mechanism between proteins and nucleic acids. Structure-based methods can generally make more accurate predictions than sequence-based methods. However, the existing structure-based methods are sensitive to protein conformational changes, causing limited generalizability. More effective and robust approaches should be further explored. In this study, we propose iNucRes-ASSH to identify nucleic acid-binding residues with a self-attention-based structure-sequence hybrid neural network. It improves the generalizability and robustness of NABR prediction from two levels: residue representation and prediction model. Experimental results show that iNucRes-ASSH can predict the nucleic acid-binding residues even when the experimentally validated structures are unavailable and outperforms five competing methods on a recent benchmark dataset and a widely used test dataset., (© 2023 Wiley Periodicals LLC.)

The development and maintenance of the item bank is a critical element to a CD-CAT (cognitive diagnostic computerized adaptive testing; Cheng, 2009) system. For continuous testing, it is important to replenish the item bank with new items that have been calibrated. This requires pretesting to estimate the parameters of the new items. For CD-CAT, the structural parameters that need to be estimated include both item parameters and attribute vectors. In this paper, we propose three residual-statistic-based methods: RMA, ROEM, and RMEM, to estimate the attribute vectors and item parameters all together for new items. An iterative two-step online calibration procedure is developed to estimate the attribute vectors for the new items in the first step, and estimate the item parameters in the second step, then proceed iteratively until convergence is reached. An extensive simulation study was conducted to evaluate the performance of the three proposed methods and compare them with two existing methods, namely the Joint Estimation Algorithm (JEA; Chen & Xin, 2011) and Single Item Estimation (SIE; Chen et al., 2015) methods. In terms of the estimation of the attribute vector, the RMEM method performs the best in most of the cases. In terms of item parameter estimation, RMEM still has some advantages, and RMA outperforms JEA and SIE. Taken together, results suggest that the RMEM is superior to the other methods, especially when sample size is relatively small. A real-data example is provided to illustrate the application of RMEM in practice., (© 2022. The Psychonomic Society, Inc.)

Background: Radiation dose reduction has been the focus of many research activities in x-ray CT. Various approaches were taken to minimize the dose to patients, ranging from the optimization of clinical protocols, refinement of the scanner hardware design, and development of advanced reconstruction algorithms. Although significant progress has been made, more advancements in this area are needed to minimize the radiation risks to patients., Purpose: Reconstruction algorithm-based dose reduction approaches focus mainly on the suppression of noise in the reconstructed images while preserving detailed anatomical structures. Such an approach effectively produces synthesized high-dose images (SHD) from the data acquired with low-dose scans. A representative example is the model-based iterative reconstruction (MBIR). Despite its widespread deployment, its full adoption in a clinical environment is often limited by an undesirable image texture. Recent studies have shown that deep learning image reconstruction (DLIR) can overcome this shortcoming. However, the limited availability of high-quality clinical images for training and validation is often the bottleneck for its development. In this paper, we propose a novel approach to generate SHD with existing low-dose clinical datasets that overcomes both the noise texture issue and the data availability issue., Methods: Our approach is based on the observation that noise in the image can be effectively reduced by performing image processing orthogonal to the imaging plane. This process essentially creates an equivalent thick-slice image (TSI), and the characteristics of TSI depend on the nature of the image processing. An advantage of this approach is its potential to reduce impact on the noise texture. The resulting image, however, is likely corrupted by the anatomical structural degradation due to partial volume effects. Careful examination has shown that the differential signal between the original and the processed image contains sufficient information to identify regions where anatomical structures are modified. The differential signal, unfortunately, contains significant noise and has to be removed. The noise removal can be accomplished by performing iterative noise reduction to preserve structural information. The processed differential signal is subsequently subtracted from TSI to arrive at SHD., Results: The algorithm was evaluated extensively with phantom and clinical datasets. For better visual inspection, difference images between the original and SHD were generated and carefully examined. Negligible residual structure could be observed. In addition to the qualitative inspection, quantitative analyses were performed on clinical images in terms of the CT number consistency and the noise reduction characteristics. Results indicate that no CT number bias is introduced by the proposed algorithm. In addition, noise reduction capability is consistent across different patient anatomical regions. Further, simulated water phantom scans were utilized in the generation of the noise power spectrum (NPS) to demonstrate the preservation of the noise-texture., Conclusions: We present a method to generate SHD datasets from regularly acquired low-dose CT scans. Images produced with the proposed approach exhibit excellent noise-reduction with the desired noise-texture. Extensive clinical and phantom studies have demonstrated the efficacy and robustness of our approach. Potential limitations of the current implementation are discussed and further research topics are outlined., (© 2023 American Association of Physicists in Medicine.)

The pipeline of drug discovery consists of a number of processes; drug-target interaction determination is one of the salient steps among them. Computational prediction of drug-target interactions can facilitate in reducing the search space of experimental wet lab-based verifications steps, thus considerably reducing time and other resources dedicated to the drug discovery pipeline. While machine learning-based methods are more widespread for drug-target interaction prediction, network-centric methods are also evolving. In this chapter, we focus on the process of the drug-target interaction prediction from the perspective of using machine learning algorithms and the various stages involved for developing an accurate predictor., (© 2024. The Author(s), under exclusive license to Springer Science+Business Media, LLC, part of Springer Nature.)

Image processing (IP) in digital radiography has been steadily refined to improve image quality. Adaptable settings enable users to adjust systems to their specific requirements. This prospective, analytical study aimed to investigate the influence of different IP settings and dose reductions on image quality. Included were 20 cadaveric equine limb specimens distal to the metacarpophalangeal and metatarsophalangeal joints. Images were processed with the Dynamic Visualization II system (Fujifilm) using five different IP settings including multiobjective frequency processing, flexible noise control (FNC), and virtual grid processing (VGP). Seven criteria were assessed by three veterinary radiology Diplomates and one veterinary radiology resident in a blinded study using a scoring system. Algorithm comparison was performed using an absolute visual grading analysis. The rating of bone structures was improved by VGP at full dose (P < .05; AUC VGC  = 0.45). Überschwinger artifact perception was enhanced by VGP (P < .001; AUC VGC  = 0.66), whereas image noise perception was suppressed by FNC (P < .001; AUC VGC  = 0.29). The ratings of bone structures were improved by FNC at 50% dose (P < .05; AUC VGC  = 0.44), and 25% dose (P < .001; AUC VGC  = 0.32), and clinically acceptable image quality was maintained at 50% dose (mean rating 2.16; 95.8% ratings sufficient or better). The favored IP setting varied among observers, with higher agreement at lower dose levels. These findings supported using individualized IP settings based on the radiologist's preferences and situational image requirements, rather than using default settings., (© 2023 The Authors. Veterinary Radiology & Ultrasound published by Wiley Periodicals LLC on behalf of American College of Veterinary Radiology.)

Background: Image registration technology has become an important medical image preprocessing step with the wide application of computer-aided diagnosis technology in various medical image analysis tasks., Purpose: We propose a multiscale feature fusion registration based on deep learning to achieve the accurate registration and fusion of head magnetic resonance imaging (MRI) and solve the problem that general registration methods cannot handle the complex spatial information and position information of head MRI., Methods: Our proposed multiscale feature fusion registration network consists of three sequentially trained modules. The first is an affine registration module that implements affine transformation; the second is to realize non-rigid transformation, a deformable registration module composed of top-down and bottom-up feature fusion subnetworks in parallel; and the third is a deformable registration module that also realizes non-rigid transformation and is composed of two feature fusion subnetworks in series. The network decomposes the deformation field of large displacement into multiple deformation fields of small displacement by multiscale registration and registration, which reduces the difficulty of registration. Moreover, multiscale information in head MRI is learned in a targeted manner, which improves the registration accuracy, by connecting the two feature fusion subnetworks., Results: We used 29 3D head MRIs for training and seven volumes for testing and calculated the values of the registration evaluation metrics for the new algorithm to register anterior and posterior lateral pterygoid muscles. The Dice similarity coefficient was 0.745 ± 0.021, the Hausdorff distance was 3.441 ± 0.935 mm, the Average surface distance was 0.738 ± 0.098 mm, and the Standard deviation of the Jacobian matrix was 0.425 ± 0.043. Our new algorithm achieved a higher registration accuracy compared with state-of-the-art registration methods., Conclusions: Our proposed multiscale feature fusion registration network can realize end-to-end deformable registration of 3D head MRI, which can effectively cope with the characteristics of large deformation displacement and the rich details of head images and provide reliable technical support for the diagnosis and analysis of head diseases., (© 2023 American Association of Physicists in Medicine.)

Background: X-ray image quality is critical for accurate intrafraction motion tracking in radiation therapy., Purpose: This study aims to develop a deep-learning algorithm to improve kV image contrast by decomposing the image into bony and soft tissue components. In particular, we designed a priori attention mechanism in the neural network framework for optimal decomposition. We show that a patient-specific prior cross-attention (PCAT) mechanism can boost the performance of kV image decomposition. We demonstrate its use in paraspinal SBRT motion tracking with online kV imaging., Methods: Online 2D kV projections were acquired during paraspinal SBRT for patient motion monitoring. The patient-specific prior images were generated by randomly shifting and rotating spine-only DRR created from the setup CBCT, simulating potential motions. The latent features of the prior images were incorporated into the PCAT using multi-head cross attention. The neural network aimed to learn to selectively amplify the transmission of the projection image features that correlate with features of the priori. The PCAT network structure consisted of (1) a dual-branch generator that separates the spine and soft tissue component of the kV projection image and (2) a dual-function discriminator (DFD) that provides the realness score of the predicted images. For supervision, we used a loss combining mean absolute error loss, discriminator loss, perceptual loss, total variation, and mean squared error loss for soft tissues. The proposed PCAT approach was benchmarked against previous work using the ResNet generative adversarial network (ResNetGAN) without prior information., Results: The trained PCAT had improved performance in effectively retaining and preserving the spine structure and texture information while suppressing the soft tissues from the kV projection images. The decomposed spine-only x-ray images had the submillimeter matching accuracy at all beam angles. The decomposed spine-only x-ray significantly reduced the maximum errors to 0.44 mm (<2 pixels) in comparison to 0.92 mm (∼4 pixels) of ResNetGAN. The PCAT decomposed spine images also had higher PSNR and SSIM (p-value < 0.001)., Conclusion: The PCAT selectively learned the important latent features by incorporating the patient-specific prior knowledge into the deep learning algorithm, significantly improving the robustness of the kV projection image decomposition, and leading to improved motion tracking accuracy in paraspinal SBRT., (© 2023 American Association of Physicists in Medicine.)

Quantile regression, known as a robust alternative to linear regression, has been widely used in statistical modeling and inference. In this paper, we propose a penalized weighted convolution-type smoothed method for variable selection and robust parameter estimation of the quantile regression with high dimensional longitudinal data. The proposed method utilizes a twice-differentiable and smoothed loss function instead of the check function in quantile regression without penalty, and can select the important covariates consistently using the efficient gradient-based iterative algorithms when the dimension of covariates is larger than the sample size. Moreover, the proposed method can circumvent the influence of outliers in the response variable and/or the covariates. To incorporate the correlation within each subject and enhance the accuracy of the parameter estimation, a two-step weighted estimation method is also established. Furthermore, we prove the oracle properties of the proposed method under some regularity conditions. Finally, the performance of the proposed method is demonstrated by simulation studies and two real examples., (© 2024 John Wiley & Sons Ltd.)

The rapid introduction of digital pathology has greatly facilitated development of artificial intelligence (AI) models in pathology that have shown great promise in assisting morphological diagnostics and quantitation of therapeutic targets. We are now at a tipping point where companies have started to bring algorithms to the market, and questions arise whether the pathology community is ready to implement AI in routine workflow. However, concerns also arise about the use of AI in pathology. This article reviews the pros and cons of introducing AI in diagnostic pathology., (© 2024 The Authors. Histopathology published by John Wiley & Sons Ltd.)

Water resources are constantly threatened by pollution of potentially toxic elements (PTEs). In efforts to monitor and mitigate PTEs pollution in water resources, machine learning (ML) algorithms have been utilized to predict them. However, review studies have not paid attention to the suitability of input variables utilized for PTE prediction. Therefore, the present review analyzed studies that employed three ML algorithms: MLP-NN (multilayer perceptron neural network), RBF-NN (radial basis function neural network), and ANFIS (adaptive neuro-fuzzy inference system) to predict PTEs in water. A total of 139 models were analyzed to ascertain the input variables utilized, the suitability of the input variables, the trends of the ML model applications, and the comparison of their performances. The present study identified seven groups of input variables commonly used to predict PTEs in water. Group 1 comprised of physical parameters (P), chemical parameters (C), and metals (M). Group 2 contains only P and C; Group 3 contains only P and M; Group 4 contains only C and M; Group 5 contains only P; Group 6 contains only C; and Group 7 contains only M. Studies that employed the three algorithms proved that Groups 1, 2, 3, 5, and 7 parameters are suitable input variables for forecasting PTEs in water. The parameters of Groups 4 and 6 also proved to be suitable for the MLP-NN algorithm. However, their suitability with respect to the RBF-NN and ANFIS algorithms could not be ascertained. The most commonly predicted PTEs using the MLP-NN algorithm were Fe, Zn, and As. For the RBF-NN algorithm, they were NO 3 , Zn, and Pb, and for the ANFIS, they were NO 3 , Fe, and Mn. Based on correlation and determination coefficients (R, R 2 ), the overall order of performance of the three ML algorithms was ANFIS > RBF-NN > MLP-NN, even though MLP-NN was the most commonly used algorithm., (© 2024. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.)

This paper proposes a novel approach, BTC-SAGAN-CHA-MRI, for the classification of brain tumors using a SAGAN optimized with a Color Harmony Algorithm. Brain cancer, with its high fatality rate worldwide, especially in the case of brain tumors, necessitates more accurate and efficient classification methods. While existing deep learning approaches for brain tumor classification have been suggested, they often lack precision and require substantial computational time.The proposed method begins by gathering input brain MR images from the BRATS dataset, followed by a pre-processing step using a Mean Curvature Flow-based approach to eliminate noise. The pre-processed images then undergo the Improved Non-Sub sampled Shearlet Transform (INSST) for extracting radiomic features. These features are fed into the SAGAN, which is optimized with a Color Harmony Algorithm to categorize the brain images into different tumor types, including Gliomas, Meningioma, and Pituitary tumors. This innovative approach shows promise in enhancing the precision and efficiency of brain tumor classification, holding potential for improved diagnostic outcomes in the field of medical imaging. The accuracy acquired for the brain tumor identification from the proposed method is 99.29%. The proposed BTC-SAGAN-CHA-MRI technique achieves 18.29%, 14.09% and 7.34% higher accuracy and 67.92%,54.04%, and 59.08% less Computation Time when analyzed to the existing models, like Brain tumor diagnosis utilizing deep learning convolutional neural network with transfer learning approach (BTC-KNN-SVM-MRI); M3BTCNet: multi model brain tumor categorization under metaheuristic deep neural network features optimization (BTC-CNN-DEMFOA-MRI), and efficient method depending upon hierarchical deep learning neural network classifier for brain tumour categorization (BTC-Hie DNN-MRI) respectively.

Purpose: Stereo matching is a crucial technology in the binocular laparoscopic-based surgical navigation systems. In recent years, neural networks have been widely applied to stereo matching and demonstrated outstanding performance. however, this method heavily relies on manual feature engineering meaning that professionals must be involved in the feature extraction and matching. This process is both time-consuming and demands specific expertise., Methods: This paper introduces a novel stereo matching framework DCStereo that realizes a fully automatic neural architecture design for the stereo matching of binocular laparoscopic images. The proposed framework utilizes a densely connected search space which enables a more flexible and diverse architecture composition. Furthermore, the proposed algorithm leverages the channel and path sampling strategies to reduce memory consumption during searching., Results: Empirically, our searched DCStereo on the SCARED training dataset achieves a mean absolute error of 3.589 mm on the test dataset, which outperforms hand-crafted stereo matching methods and other approaches. Furthermore, when directly testing on the SERV-CT dataset, our DCStereo demonstrates better generalization ability than other methods., Conclusion: Our proposed approach leverages the neural architecture search technique and a densely connected search space for automatic neural architecture design in stereo matching of binocular laparoscopic images. Our method delivers advanced performance on the SCARED dataset and promising results on the SERV-CT dataset. These findings demonstrate the potential of our approach for improving clinical surgical navigation systems., (© 2024. CARS.)

pyDarwin is an open-source Python package for nonlinear mixed-effect model selection. pyDarwin combines machine-learning algorithms and NONMEM to perform a global search for the optimal model in a user-defined model search space. Compared with traditional stepwise search, pyDarwin provides an efficient platform for conducting an objective, robust, less labor-intensive model selection process without compromising model interpretability. In this tutorial, we will begin by introducing the essential components and concepts within the package. Subsequently, we will provide an overview of the pyDarwin modeling workflow and the necessary files needed for model selection. To illustrate the entire process, we will conclude with an example utilizing quetiapine clinical data., (© 2023 The Authors. Clinical Pharmacology & Therapeutics published by Wiley Periodicals LLC on behalf of American Society for Clinical Pharmacology and Therapeutics.)

Background: A new cystatin C based European Kidney Function Consortium (EKFC CysC ) equation was recently developed for adults, using the same mathematical form as the previously published full age spectrum creatinine based EKFC-equation (EKFC Crea ). In the present study the cystatin C based EKFC-equation is extended to children, by defining the appropriate cystatin C rescaling factor Q CysC ., Methods: Rescaling factor Q CysC for cystatin C was defined as: a) 0.83 mg/L, exactly as it was defined for young adults in the adult equation, and b) a more complex Q CysC -age relationship based on 4 th degree cystatin C-age polynomials after evaluation of data from Uppsala, Stockholm and Canada and aggregated data from Germany. The EKFC CysC equation was then validated in an independent dataset in European children (n = 2,293) with measured GFR, creatinine, cystatin C, age, height and sex available., Results: The EKFC CysC with the simple Q CysC -value of 0.83 had a bias of -7.6 [95%CI -8.4;-6.5] mL/min/1.73 m 2 and a P30-value of 85.8% [95%CI 84.4;87.3] equal to the EKFC CysC with the more complex 4 th degree Q CysC -value. The arithmetic mean of the EKFC Crea and EKFC CysC with the simple Q CysC of 0.83 had a bias of -4.0 [95%CI -4.5;-3.1] mL/min/1.73 m 2 and P30 of 90.4% [95%CI 89.2;91.6] similar to using the more complex 4 th degree Q CysC -polynomial., Conclusion: Using exactly the same Q CysC of 0.83 mg/L, the adult EKFC CysC can easily be extended to children, with some bias but acceptable P30-values. The arithmetic mean of EKFC Crea and EKFC CysC results in bias closer to zero and P30 slightly over 90%., (© 2023. The Author(s), under exclusive licence to International Pediatric Nephrology Association.)

The research on the quantitative trait locus (QTL) mapping of count data has aroused the wide attention of researchers. There are frequent problems in applied research that limit the application of the conventional Poisson model in the analysis of count phenotypes, which include the overdispersion and excess zeros and ones. In this article, a novel model, that is, the zero-and-one-inflated generalized Poisson (ZOIGP) model, is proposed to deal with these problems. Based on the proposed model, a score test is performed for the inflation parameter, in which the ZOIGP model with a constant proportion of excess zeros and ones is compared with a standard generalized Poisson model. To illustrate the practicability of the ZOIGP model, we extend it to the QTL interval mapping application that underpins count phenotype with excess zeros and excess ones. The genetic effects are estimated utilizing the expectation-maximization algorithm embedded with the Newton-Raphson algorithm, and the genome-wide scan and likelihood ratio test is performed to map and test the potential QTLs. The statistical properties exhibited by the proposed method are investigated through simulation. Finally, a real data analysis example is used to illustrate the utility of the proposed method for QTL mapping., (© 2024 Wiley‐VCH GmbH.)

Rank methods are well-established tools for comparing two or multiple (independent) groups. Statistical planning methods for the computing the required sample size(s) to detect a specific alternative with predefined power are lacking. In the present paper, we develop numerical algorithms for sample size planning of pseudo-rank-based multiple contrast tests. We discuss the treatment effects and different ways to approximate variance parameters within the estimation scheme. We further compare pairwise with global rank methods in detail. Extensive simulation studies show that the sample size estimators are accurate. A real data example illustrates the application of the methods., (© 2024 The Authors. Biometrical Journal published by Wiley‐VCH GmbH.)

In clinical studies, one often encounters time-to-event data that are subject to right censoring and for which a fraction of the patients under study never experience the event of interest. Such data can be modeled using cure models in survival analysis. In the presence of cure fraction, the mixture cure model is popular, since it allows to model probability to be cured (called the incidence) and the survival function of the uncured individuals (called the latency). In this paper, we develop a variable selection procedure for the incidence and latency parts of a mixture cure model, consisting of a logistic model for the incidence and a semiparametric accelerated failure time model for the latency. We use a penalized likelihood approach, based on adaptive LASSO penalties for each part of the model, and we consider two algorithms for optimizing the criterion function. Extensive simulations are carried out to assess the accuracy of the proposed selection procedure. Finally, we employ the proposed method to a real dataset regarding heart failure patients with left ventricular systolic dysfunction., (© 2024. The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.)

The integration of artificial intelligence (AI) in medical image interpretation requires effective collaboration between clinicians and AI algorithms. Although previous studies demonstrated the potential of AI assistance in improving overall clinician performance, the individual impact on clinicians remains unclear. This large-scale study examined the heterogeneous effects of AI assistance on 140 radiologists across 15 chest X-ray diagnostic tasks and identified predictors of these effects. Surprisingly, conventional experience-based factors, such as years of experience, subspecialty and familiarity with AI tools, fail to reliably predict the impact of AI assistance. Additionally, lower-performing radiologists do not consistently benefit more from AI assistance, challenging prevailing assumptions. Instead, we found that the occurrence of AI errors strongly influences treatment outcomes, with inaccurate AI predictions adversely affecting radiologist performance on the aggregate of all pathologies and on half of the individual pathologies investigated. Our findings highlight the importance of personalized approaches to clinician-AI collaboration and the importance of accurate AI models. By understanding the factors that shape the effectiveness of AI assistance, this study provides valuable insights for targeted implementation of AI, enabling maximum benefits for individual clinicians in clinical practice., (© 2024. The Author(s).)

Background: Objective assessment of craniofacial surgery outcomes in a pediatric population is challenging because of the complexity of patient presentations, diversity of procedures performed, and rapid craniofacial growth. There is a paucity of robust methods to quantify anatomical measurements by age and objectively compare craniofacial dysmorphology and postoperative outcomes. Here, the authors present data in developing a racially and ethnically sensitive anthropomorphic database, providing plastic and craniofacial surgeons with "normal" three-dimensional anatomical parameters with which to appraise and optimize aesthetic and reconstructive outcomes., Methods: Patients with normal craniofacial anatomy undergoing head magnetic resonance imaging (MRI) scans from 2008 to 2021 were included in this retrospective study. Images were used to construct composite (template) images with diffeomorphic image registration method using the Advanced Normalization Tools package. Composites were thresholded to generate binary three-dimensional segmentations used for anatomical measurements in Materalise Mimics., Results: High-resolution MRI scans from 130 patients generated 12 composites from an average of 10 MRI sequences each: four 3-year-olds, four 4-year-olds, and four 5-year-olds (two male, two female, two Black, and two White). The average head circumference of 3-, 4-, and 5-year-old composites was 50.3, 51.5, and 51.7 cm, respectively, comparable to normative data published by the World Health Organization., Conclusions: Application of diffeomorphic registration-based image template algorithm to MRI is effective in creating composite templates to represent "normal" three-dimensional craniofacial and soft-tissue anatomy. Future research will focus on development of automated computational tools to characterize anatomical normality, generation of indices to grade preoperative severity, and quantification of postoperative results to reduce subjectivity bias., (Copyright © 2023 by the American Society of Plastic Surgeons.)

Background: Recent developments in alpha and beta emitting radionuclide therapy highlight the importance of developing efficient methods for patient-specific dosimetry. Traditional tabulated methods such as Medical Internal Radiation Dose (MIRD) estimate the dose at the organ level while more recent numerical methods based on Monte Carlo (MC) simulations are able to calculate dose at the voxel level. A precalculated MC (PMC) approach was developed in this work as an alternative to time-consuming fully simulated MC. Once the spatial distribution of alpha and beta emitters is determined using imaging and/or numerical methods, the PMC code can be used to achieve an accurate voxelized 3D distribution of the deposited energy without relying on full MC calculations., Purpose: To implement the PMC method to calculate energy deposited by alpha and beta particles emitted from the Ra-224 decay chain., Methods: The GEANT4 (version 10.7) MC toolkit was used to generate databases of precalculated tracks to be integrated in the PMC code as well as to benchmark its output. In this regard, energy spectra of alpha and beta particles emitted by the Ra-224 decay chain were generated using GAMOS (version 6.2.0) and imported into GEANT4 macro files. Either alpha or beta emitting sources were defined at the center of a homogeneous phantom filled with various materials such as soft tissue, bone, and lung where particles were emitted either mono-directionally (for database generation) or isotropically (for benchmarking). Two heterogeneous phantoms were used to demonstrate PMC code compatibility with boundary crossing events. Each precalculated database was generated step-by-step by storing particle track information from GEANT4 simulations followed by its integration in a PMC code developed in MATLAB. For a user-defined number of histories, one of the tracks in a given database was selected randomly and rotated randomly to reflect an isotropic emission. Afterward, deposited energy was divided between voxels based on step length in each voxel using a ray-tracing approach. The radial distribution of deposited energy was benchmarked against fully simulated MC calculations using GEANT4. The effect of the GEANT4 parameter StepMax on the accuracy and speed of the code was also investigated., Results: In the case of alpha decay, primary alpha particles show the highest contribution (>99%) in deposited energy compared to their secondary particles. In most cases, protons act as the main secondary particles in the deposition of energy. However, for a lung phantom, using a range cutoff parameter of 10 µm on primary alpha particles yields a higher contribution of secondary electrons than protons. Differences between deposited energy calculated by PMC and fully simulated MC are within 2% for all alpha and beta emitters in homogeneous and heterogeneous phantoms. Additionally, statistical uncertainties are less than 1% for voxels with doses higher than 5% of the maximum dose. Moreover, optimization of the parameter StepMax is necessary to achieve the best tradeoff between code accuracy and speed., Conclusions: The PMC code shows good performance for dose calculations deposited by alpha and beta emitters. As a stand-alone algorithm, it is suitable to be integrated into clinical treatment planning systems., (© 2023 The Authors. Medical Physics published by Wiley Periodicals LLC on behalf of American Association of Physicists in Medicine.)

Objective: To describe the development of a platform for image collection and annotation that resulted in a multi-sourced international image dataset of oral lesions to facilitate the development of automated lesion classification algorithms., Materials and Methods: We developed a web-interface, hosted on a web server to collect oral lesions images from international partners. Further, we developed a customised annotation tool, also a web-interface for systematic annotation of images to build a rich clinically labelled dataset. We evaluated the sensitivities comparing referral decisions through the annotation process with the clinical diagnosis of the lesions., Results: The image repository hosts 2474 images of oral lesions consisting of oral cancer, oral potentially malignant disorders and other oral lesions that were collected through MeMoSA ® UPLOAD. Eight-hundred images were annotated by seven oral medicine specialists on MeMoSA ® ANNOTATE, to mark the lesion and to collect clinical labels. The sensitivity in referral decision for all lesions that required a referral for cancer management/surveillance was moderate to high depending on the type of lesion (64.3%-100%)., Conclusion: This is the first description of a database with clinically labelled oral lesions. This database could accelerate the improvement of AI algorithms that can promote the early detection of high-risk oral lesions., (© 2022 Wiley Periodicals LLC.)

Recently, artificial intelligence (AI) techniques have been increasingly used to overcome the challenges in drug discovery. Although traditional AI techniques generally have high accuracy rates, there may be difficulties in explaining the decision process and patterns. This can create difficulties in understanding and making sense of the outputs of algorithms used in drug discovery. Therefore, using explainable AI (XAI) techniques, the causes and consequences of the decision process are better understood. This can help further improve the drug discovery process and make the right decisions. To address this issue, Explainable Artificial Intelligence (XAI) emerged as a process and method that securely captures the results and outputs of machine learning (ML) and deep learning (DL) algorithms. Using techniques such as SHAP (SHApley Additive ExPlanations) and LIME (Locally Interpretable Model-Independent Explanations) has made the drug targeting phase clearer and more understandable. XAI methods are expected to reduce time and cost in future computational drug discovery studies. This review provides a comprehensive overview of XAI-based drug discovery and development prediction. XAI mechanisms to increase confidence in AI and modeling methods. The limitations and future directions of XAI in drug discovery are also discussed., (© 2023 John Wiley & Sons Ltd.)

The so-coined fourth paradigm in science has reached the sensing area, with the use of machine learning (ML) toward data-driven improvements in sensitivity, reproducibility, and accuracy, along with the determination of multiple targets from a single measurement using multi-output regression models. Particularly, the use of supervised ML models trained on large data sets produced by electrical and electrochemical bio/sensors has emerged as an impacting trend in the literature by allowing accurate analyses even in the presence of usual issues such as electrode fouling, poor signal-to-noise ratio, chemical interferences, and matrix effects. In this trend article, apart from an outlook for the coming years, we present examples from the literature that demonstrate how helpful ML algorithms can be for dispensing the adoption of experimental methods to address the aforesaid interfering issues, ultimately contributing to translate testing technologies into on-site, practical, and daily applications., (© 2023. Springer-Verlag GmbH Germany, part of Springer Nature.)

An increasing number of machine learning applications are being developed and applied to digital pathology, including hematopathology. The goal of these modern computerized tools is often to support diagnostic workflows by extracting and summarizing information from multiple data sources, including digital images of human tissue. Hematopathology is inherently multimodal and can serve as an ideal case study for machine learning applications. However, hematopathology also poses unique challenges compared to other pathology subspecialities when applying machine learning approaches. By modeling the pathologist workflow and thinking process, machine learning algorithms may be designed to address practical and tangible problems in hematopathology. In this article, we discuss the current trends in machine learning in hematopathology. We review currently available machine learning enabled medical devices supporting hematopathology workflows. We then explore current machine learning research trends of the field with a focus on bone marrow cytology and histopathology, and how adoption of new machine learning tools may be enabled through the transition to digital pathology., (© 2023 The Authors. International Journal of Laboratory Hematology published by John Wiley & Sons Ltd.)

This paper investigates the effects of obesity, socio-economic variables, and individual-specific factors on work productivity across Italian regions. A dynamic panel data with correlated random effects is used to jointly deal with incidental parameters, endogeneity issues, and functional forms of misspecification. Methodologically, a hierarchical semiparametric Bayesian approach is involved in shrinking high dimensional model classes, and then obtaining a subset of potential predictors affecting outcomes. Monte Carlo designs are addressed to construct exact posterior distributions and then perform accurate forecasts. Cross-sectional Heterogeneity is modelled nonparametrically allowing for correlation between heterogeneous parameters and initial conditions as well as individual-specific regressors. Prevention policies and strategies to handle health and labour market prospects are also discussed., (© 2022. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.)

Increasing evidence shows that flaws in machine learning (ML) algorithm validation are an underestimated global problem. In biomedical image analysis, chosen performance metrics often do not reflect the domain interest, and thus fail to adequately measure scientific progress and hinder translation of ML techniques into practice. To overcome this, we created Metrics Reloaded, a comprehensive framework guiding researchers in the problem-aware selection of metrics. Developed by a large international consortium in a multistage Delphi process, it is based on the novel concept of a problem fingerprint-a structured representation of the given problem that captures all aspects that are relevant for metric selection, from the domain interest to the properties of the target structure(s), dataset and algorithm output. On the basis of the problem fingerprint, users are guided through the process of choosing and applying appropriate validation metrics while being made aware of potential pitfalls. Metrics Reloaded targets image analysis problems that can be interpreted as classification tasks at image, object or pixel level, namely image-level classification, object detection, semantic segmentation and instance segmentation tasks. To improve the user experience, we implemented the framework in the Metrics Reloaded online tool. Following the convergence of ML methodology across application domains, Metrics Reloaded fosters the convergence of validation methodology. Its applicability is demonstrated for various biomedical use cases., (© 2024. Springer Nature America, Inc.)

Alchemical free energy methods can be used for the efficient computation of relative binding free energies during preclinical drug discovery stages. In recent years, this has been facilitated further by the implementation of workflows that enable non-experts to quickly and consistently set up the required simulations. Given the correct input structures, workflows handle the difficult aspects of setting up perturbations, including consistently defining the perturbable molecule, its atom mapping and topology generation, perturbation network generation, running of the simulations via different sampling methods, and analysis of the results. Different academic and commercial workflows are discussed, including FEW, FESetup, FEPrepare, CHARMM-GUI, Transformato, PMX, QLigFEP, TIES, ProFESSA, PyAutoFEP, BioSimSpace, FEP+, Flare, and Orion. These workflows differ in various aspects, such as mapping algorithms or enhanced sampling methods. Some workflows can accommodate more than one molecular dynamics (MD) engine and use external libraries for tasks. Differences between workflows can present advantages for different use cases, however a lack of interoperability of the workflows' components hinders systematic comparisons., (© 2024. The Author(s), under exclusive license to Springer Science+Business Media, LLC, part of Springer Nature.)

Chemical exchange saturation transfer (CEST) is a versatile technique that enables noninvasive detections of endogenous metabolites present in low concentrations in living tissue. However, CEST imaging suffers from an inherently low signal-to-noise ratio (SNR) due to the decreased water signal caused by the transfer of saturated spins. This limitation challenges the accuracy and reliability of quantification in CEST imaging. In this study, a novel spatial-spectral denoising method, called BOOST (suBspace denoising with nOnlocal lOw-rank constraint and Spectral local-smooThness regularization), was proposed to enhance the SNR of CEST images and boost quantification accuracy. More precisely, our method initially decomposes the noisy CEST images into a low-dimensional subspace by leveraging the global spectral low-rank prior. Subsequently, a spatial nonlocal self-similarity prior is applied to the subspace-based images. Simultaneously, the spectral local-smoothness property of Z-spectra is incorporated by imposing a weighted spectral total variation constraint. The efficiency and robustness of BOOST were validated in various scenarios, including numerical simulations and preclinical and clinical conditions, spanning magnetic field strengths from 3.0 to 11.7 T. The results demonstrated that BOOST outperforms state-of-the-art algorithms in terms of noise elimination. As a cost-effective and widely available post-processing method, BOOST can be easily integrated into existing CEST protocols, consequently promoting accuracy and reliability in detecting subtle CEST effects., (© 2023 John Wiley & Sons Ltd.)

Non-Negative Matrix Factorization (NMF) is a widely used dimension reduction method that factorizes a non-negative data matrix into two lower dimensional non-negative matrices: one is the basis or feature matrix which consists of the variables and the other is the coefficients matrix which is the projections of data points to the new basis. The features can be interpreted as sub-structures of the data. The number of sub-structures in the feature matrix is also called the rank. This parameter controls the model complexity and is the only tuning parameter for the NMF model. An appropriate rank will extract the key latent features while minimizing the noise from the original data. However due to the large amount of optimization error always present in the NMF computation, the rank selection has been a difficult problem. We develop a novel rank selection method based on hypothesis testing, using a deconvolved bootstrap distribution to assess the significance level accurately. Through simulations, we compare our method with a rank selection method based on hypothesis testing using bootstrap distribution without deconvolution and a method based on cross-validation; we demonstrate that our method is not only accurate at estimating the true ranks for NMF, especially when the features are hard to distinguish, but also efficient at computation. When applied to real microbiome data (eg, OTU data and functional metagenomic data), our method also shows the ability to extract interpretable subcommunities in the data., (© 2023 The Authors. Statistics in Medicine published by John Wiley & Sons Ltd.)

Membrane proteins play a crucial role in various cellular processes and are essential components of cell membranes. Computational methods have emerged as a powerful tool for studying membrane proteins due to their complex structures and properties that make them difficult to analyze experimentally. Traditional features for protein sequence analysis based on amino acid types, composition, and pair composition have limitations in capturing higher-order sequence patterns. Recently, multiple sequence alignment (MSA) and pre-trained language models (PLMs) have been used to generate features from protein sequences. However, the significant computational resources required for MSA-based features generation can be a major bottleneck for many applications. Several methods and tools have been developed to accelerate the generation of MSAs and reduce their computational cost, including heuristics and approximate algorithms. Additionally, the use of PLMs such as BERT has shown great potential in generating informative embeddings for protein sequence analysis. In this review, we provide an overview of traditional and more recent methods for generating features from protein sequences, with a particular focus on MSAs and PLMs. We highlight the advantages and limitations of these approaches and discuss the methods and tools developed to address the computational challenges associated with features generation. Overall, the advancements in computational methods and tools provide a promising avenue for gaining deeper insights into the function and properties of membrane proteins, which can have significant implications in drug discovery and personalized medicine., (© 2023 Wiley-VCH GmbH.)

We give a simulation-based method for computing the multiplicity adjusted p-values and critical constants for the Dunnett procedure for comparing treatments with a control under heteroskedasticity. The Welch-Satterthwaite test statistics used in this procedure do not have a simple multivariate t-distribution because their denominators are mixtures of chi-squares and are correlated because of the common control treatment sample variance present in all denominators. The joint distribution of the denominators of the test statistics is approximated by correlated chi-square variables and is generated using a novel algorithm proposed in this paper. This approximation is used to derive critical constants or adjusted p-values. The familywise error rate (FWER) of the proposed method is compared with some existing methods via simulation under different heteroskedastic scenarios. The results show that our proposed method controls the FWER most accurately, whereas other methods are either too conservative or liberal or control the FWER less accurately. The different methods considered are illustrated on a real data set., (© 2023 The Authors. Biometrical Journal published by Wiley-VCH GmbH.)

Often, comparative experiments involve a single treatment factor and two blocking factors, for example, augmented row-column, two-phase, and incomplete row-column experiments. These experiments are widely used in agriculture. Finding good designs for these experiments is a major challenge when the number of treatments is large and the blocking structure is complex. In this paper, we first propose a new search algorithm that is combined with efficient update formulae, so that optimal designs with two blocking factors can be found within a reasonable time. Second, we compare augmented row-column designs generated with our new method to those obtained from CycDesigN, DiGGer, and the OPTEX procedure of SAS in terms of computing times as well as the quality of solutions. Third, we illustrate our proposed approach with four applications. We show an example where our efficient update formulae work while existing update formulae cannot be applied, and we use our search framework to generate augmented row-column, two-phase, and incomplete row-column designs. We end the paper with a conclusion along with suggestions for potential applications., (© 2023 The Authors. Biometrics published by Wiley Periodicals LLC on behalf of International Biometric Society.)

Large-scale social networks are thought to contribute to polarization by amplifying people's biases. However, the complexity of these technologies makes it difficult to identify the mechanisms responsible and evaluate mitigation strategies. Here we show under controlled laboratory conditions that transmission through social networks amplifies motivational biases on a simple artificial decision-making task. Participants in a large behavioural experiment showed increased rates of biased decision-making when part of a social network relative to asocial participants in 40 independently evolving populations. Drawing on ideas from Bayesian statistics, we identify a simple adjustment to content-selection algorithms that is predicted to mitigate bias amplification by generating samples of perspectives from within an individual's network that are more representative of the wider population. In two large experiments, this strategy was effective at reducing bias amplification while maintaining the benefits of information sharing. Simulations show that this algorithm can also be effective in more complex networks., (© 2023. The Author(s), under exclusive licence to Springer Nature Limited.)

In recent years, the four-parameter model (4PM) has received increasing attention in item response theory. The purpose of this article is to provide more efficient and more reliable computational tools for fitting the 4PM. In particular, this article focuses on the four-parameter normal ogive model (4PNO) model and develops efficient stochastic approximation expectation maximization (SAEM) algorithms to compute the marginalized maximum a posteriori estimator. First, a data augmentation scheme is used for the 4PNO model, which makes the complete data model be an exponential family, and then, a basic SAEM algorithm is developed for the 4PNO model. Second, to overcome the drawback of the SAEM algorithm, we develop an improved SAEM algorithm for the 4PNO model, which is called the mixed SAEM (MSAEM). Results from simulation studies demonstrate that: (1) the MSAEM provides more accurate or comparable estimates as compared with the other estimation methods, while computationally more efficient; (2) the MSAEM is more robust to the choices of initial values and the priors for item parameters, which is a valuable property for practice use. Finally, a real data set is analyzed to show the good performance of the proposed methods., (© 2022. The Author(s) under exclusive licence to The Psychometric Society.)

We develop a model-based boosting approach for multivariate distributional regression within the framework of generalized additive models for location, scale, and shape. Our approach enables the simultaneous modeling of all distribution parameters of an arbitrary parametric distribution of a multivariate response conditional on explanatory variables, while being applicable to potentially high-dimensional data. Moreover, the boosting algorithm incorporates data-driven variable selection, taking various different types of effects into account. As a special merit of our approach, it allows for modeling the association between multiple continuous or discrete outcomes through the relevant covariates. After a detailed simulation study investigating estimation and prediction performance, we demonstrate the full flexibility of our approach in three diverse biomedical applications. The first is based on high-dimensional genomic cohort data from the UK Biobank, considering a bivariate binary response (chronic ischemic heart disease and high cholesterol). Here, we are able to identify genetic variants that are informative for the association between cholesterol and heart disease. The second application considers the demand for health care in Australia with the number of consultations and the number of prescribed medications as a bivariate count response. The third application analyses two dimensions of childhood undernutrition in Nigeria as a bivariate response and we find that the correlation between the two undernutrition scores is considerably different depending on the child's age and the region the child lives in., (© 2023 The Authors. Statistics in Medicine published by John Wiley & Sons Ltd.)

Patient-reported pain locations are critical for comprehensive pain assessment. Our study aim was to introduce an automated process for measuring the location and distribution of pain collected during a routine outpatient clinic visit. In a cross-sectional study, 116 adults with sickle cell disease-associated pain completed PAIN Report It Ⓡ . This computer-based instrument includes a two-dimensional, digital body outline on which patients mark their pain location. Using the ImageJ software, we calculated the percentage of the body surface area marked as painful and summarized data with descriptive statistics and a pain frequency map. The painful body areas most frequently marked were the left leg-front (73%), right leg-front (72%), upper back (72%), and lower back (70%). The frequency of pain marks in each of the 48 body segments ranged from 3 to 79 (mean, 33.2 ± 21.9). The mean percentage of painful body surface area per segment was 10.8% ± 7.5% (ranging from 1.3% to 33.1%). Patient-reported pain locations can be easily analyzed from digital drawings using an algorithm created via the free ImageJ software. This method may enhance comprehensive pain assessment, facilitating research and personalized care over time for patients with various pain conditions., (Copyright © 2022 Wolters Kluwer Health, Inc. All rights reserved.)