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At least 1,261 records · Page 70Linked to original sources

A method and software for segmentation of anatomic object ensembles by deformable m-reps.

Deformable shape models (DSMs) comprise a general approach that shows great promise for automatic image segmentation. Published studies by others and our own research results strongly suggest that segmentation of a normal or near-normal object from 3D medical images will be most successful when the DSM approach uses (1) knowledge of the geometry of not only the target anatomic object but also the ensemble of objects providing context for the target object and (2) knowledge of the image intensities to be expected relative to the geometry of the target and contextual objects. The segmentation will be most efficient when the deformation operates at multiple object-related scales and uses deformations that include not just local translations but the biologically important transformations of bending and twisting, i.e., local rotation, and local magnification. In computer vision an important class of DSM methods uses explicit geometric models in a Bayesian statistical framework to provide a priori information used in posterior optimization to match the DSM against a target image. In this approach a DSM of the object to be segmented is placed in the target image data and undergoes a series of rigid and nonrigid transformations that deform the model to closely match the target object. The deformation process is driven by optimizing an objective function that has terms for the geometric typicality and model-to-image match for each instance of the deformed model. The success of this approach depends strongly on the object representation, i.e., the structural details and parameter set for the DSM, which in turn determines the analytic form of the objective function. This paper describes a form of DSM called m-reps that has or allows these properties, and a method of segmentation consisting of large to small scale posterior optimization of m-reps. Segmentation by deformable m-reps, together with the appropriate data representations, visualizations, and user interface, has been implemented in software that accomplishes 3D segmentations in a few minutes. Software for building and training models has also been developed. The methods underlying this software and its abilities are the subject of this paper.

Algorithms↗

Computer analog simulation of a model for the regulation of ago-antagonistic couples.

A system of quadratic differential equations is proposed within the framework of 'non-linear mechanics', but also outside this framework in respect of certain features, and it is used with a view to formalising a feedback control system. The model helps to simulate states of balance or imbalance within an ago-antagonistic couple and to suggest methods for correcting the imbalances, which do not require modification of the parameter space. Its possibilities of synchronic or diachronic functioning are emphasised. The model may apparently be used for the construction of similar models which include several ago-antagonistic couples. Finally, the aims of such a model, which could be considered as an 'action' model, are defined; its place would be assigned midway between a black-box system and 'knowledge' models.

Computers↗

Medical workstations for applied imaging and graphics research.

We present a medical workstation for the efficient implementation of research ideas related to image processing and computer graphics. Based on standard hardware platforms the software system encompasses two major components: A turnkey application system provides a functionally kernel for a broad community of clinical users working with digital imaging devices, including methods of noise suppression, interactive and automatic segmentation, 3D surface reconstruction and multi-modal registration. A development toolbox allows new algorithms and applications to be efficiently implemented and consistently integrated with the common framework of the turnkey system. The platform is based on an elaborate object class structure describing objects for image processing, computer graphics, study handling and user interface control. Thus expertise of computer scientists familiar with this application domain is brought into the hospital and can be readily used by clinical researchers.

Algorithms↗

Comparison of all sites for Ti substitution in zeolite TS-1 by an accurate embedded-cluster method.

We studied the preferential location of Ti centers in the framework of the Ti-containing MFI zeolite TS-1 using a hybrid DFT/MM embedding method developed recently. This "covalent elastic polarizable environment" (covEPE) cluster embedding allows a complete and self-consistent treatment of solid covalent systems such as zeolites. For the present study, we used a gradient-corrected density functional approach. The resulting structural features of both Si- and Ti-substituted forms of the zeolite framework fit well with available experimental information. The calculated substitution energy of Ti at the 12 crystallographically different tetrahedral sites of the MFI structure vary within 19 kJ/mol with T12 and T2 as most and least preferred sites, respectively. On the basis of these computational results and the preferential sites for Ti substitution reported from different experimental investigations, we concluded that the Ti distribution in the TS-1 framework is not governed by the thermodynamic stability of the pure material.

Journal Article↗

nf-core/pacsomatic: a scalable somatic analytic pipeline using PacBio HiFi data.

MOTIVATION: Pacific Biosciences (PacBio) HiFi long-read sequencing enables robust characterization of complex genomic regions, repetitive elements, and structural variants (SVs) that are often inaccessible to short-read technologies. To fully leverage HiFi reads to advance cancer genomics and epigenetics, researchers require an end-to-end, scalable and optimized bioinformatics workflow. The nf-core framework meets this need by providing rigorously tested, community-curated pipelines that ensure reproducibility, transparency, and broad compatibility across computational environments. RESULTS: We present nf-core/pacsomatic, an automated Nextflow DSL2 pipeline designed for comprehensive paired tumor-normal somatic analysis using PacBio HiFi data. The workflow includes steps for read alignments against reference genome, somatic SNV/indel, SV, and CNV calling, CpG methylation profiling and differential methylation region (DMR) detection. Additional downstream modules support functional annotation, mutational signature analysis, tumor purity and ploidy estimation, and homologous recombination deficiency (HRD) assessment. Utilizing nf-core's modular design and containerized execution, nf-core/pacsomatic provides a stable framework for the reproducible discovery of biological insights. AVAILABILITY: nf-core/pacsomatic is available under the MIT License at nf-core (https://nf-co.re/pacsomatic) and github (https://github.com/nf-core/pacsomatic).

Software↗

A methodology for incorporating web technologies into a computer-based patient record, with contributions from cognitive science.

Cognitive science is a rich source of insight for creative use of new Web technologies by medical informatics workers. I outline a project to Web-enable an existing computer-based patient record (CPR) in the context of ideas from philosophy, linguistics, artificial intelligence, and cognitive psychology. Web prototypes play an important role (a) because Web technology lends itself to rapid prototype development, and (b) because prototypes help team members bridge among disparate medical, computing, and business ontologies. Six Web-enabled CPR prototypes were created and ranked. User scenarios were generated using a user communication matrix. Resulting prototypes were compared according to the degree to which they satisfied medical, computing, and business constraints. In a different organization, or at different time, candidate prototypes and their ranking might have been different. However, prototype generation and comparison are fundamentally influenced by factors usefully understood in a cognitive science framework.

Cognitive Science↗

Iterative tomographic image reconstruction using Fourier-based forward and back-projectors.

Iterative image reconstruction algorithms play an increasingly important role in modern tomographic systems, especially in emission tomography. With the fast increase of the sizes of the tomographic data, reduction of the computation demands of the reconstruction algorithms is of great importance. Fourier-based forward and back-projection methods have the potential to considerably reduce the computation time in iterative reconstruction. Additional substantial speed-up of those approaches can be obtained utilizing powerful and cheap off-the-shelf fast Fourier transform (FFT) processing hardware. The Fourier reconstruction approaches are based on the relationship between the Fourier transform of the image and Fourier transformation of the parallel-ray projections. The critical two steps are the estimations of the samples of the projection transform, on the central section through the origin of Fourier space, from the samples of the transform of the image, and vice versa for back-projection. Interpolation errors are a limitation of Fourier-based reconstruction methods. We have applied min-max optimized Kaiser-Bessel interpolation within the nonuniform FFT (NUFFT) framework and devised ways of incorporation of resolution models into the Fourier-based iterative approaches. Numerical and computer simulation results show that the min-max NUFFT approach provides substantially lower approximation errors in tomographic forward and back-projection than conventional interpolation methods. Our studies have further confirmed that Fourier-based projectors using the NUFFT approach provide accurate approximations to their space-based counterparts but with about ten times faster computation, and that they are viable candidates for fast iterative image reconstruction.

Algorithms↗

[Diagnosing depression of a neurotic and subpsychotic character].

Among 176 depressive symptoms informative symptomological combinations were differentiated (by means of mathematical methods) which characterize the neurotic and hypopsychotic depressions and provide a high percent of diagnosis of these conditions by a computer. An additional group of patients was distinguished which occupied a sort of intermediate position between the two mentioned categories. It was found, incidentally, that the vegetative syndromes within the framework of depressions have a rather small informative-diagnostic importance.

Adult↗

Predicting enhancer-promoter interactions using a stacking-based ensemble strategy.

MOTIVATION: Enhancer-promoter interactions (EPIs) are essential for gene regulation and disease progression. Recent studies have shown that distal enhancers can regulate target genes through interactions with nearby promoters, providing important insights into transcriptional regulation mechanisms. Although high-throughput experimental techniques have enabled large-scale identification of EPIs, these methods are often costly and time-consuming. In addition, existing computational approaches still face challenges in effectively integrating heterogeneous feature representations from different cell lines. RESULTS: We propose a stacked ensemble framework for EPI prediction that integrates feature representations from diverse cell line datasets using multiple machine learning algorithms. The extracted complementary patterns are further combined by an XGBoost classifier to improve robustness against overfitting. Experiments on six independent datasets show that the proposed method achieves superior accuracy and generalization compared with existing EPI prediction models, with an average AUROC of 0.909 while maintaining computational efficiency. AVAILABILITY: The source code and its archived release are available at GitHub and Zenodo. The Zenodo archive provides a versioned snapshot of the repository: https://zenodo.org/records/19952998.

Promoter Regions, Genetic↗

A computational algebra approach to the reverse engineering of gene regulatory networks.

This paper proposes a new method to reverse engineer gene regulatory networks from experimental data. The modeling framework used is time-discrete deterministic dynamical systems, with a finite set of states for each of the variables. The simplest examples of such models are Boolean networks, in which variables have only two possible states. The use of a larger number of possible states allows a finer discretization of experimental data and more than one possible mode of action for the variables, depending on threshold values. Furthermore, with a suitable choice of state set, one can employ powerful tools from computational algebra, that underlie the reverse-engineering algorithm, avoiding costly enumeration strategies. To perform well, the algorithm requires wildtype together with perturbation time courses. This makes it suitable for small to meso-scale networks rather than networks on a genome-wide scale. An analysis of the complexity of the algorithm is performed. The algorithm is validated on a recently published Boolean network model of segment polarity development in Drosophila melanogaster.

Algorithms↗

A strategy for integrative computational physiology.

Organ function (the heart beat for example) can only be understood through knowledge of molecular and cellular processes within the constraints of structure-function relations at the tissue level. A quantitative modeling framework that can deal with these multiscale issues is described here under the banner of the International Union of Physiological Sciences Physiome Project.

Cell Physiological Phenomena↗

Computer-assisted identification of cell cycle-related genes: new targets for E2F transcription factors.

The processes that take place during development and differentiation are directed through coordinated regulation of expression of a large number of genes. One such gene regulatory network provides cell cycle control in eukaryotic organisms. In this work, we have studied the structural features of the 5' regulatory regions of cell cycle-related genes. We developed a new method for identifying composite substructures (modules) in regulatory regions of genes consisting of a binding site for a key transcription factor and additional contextual motifs: potential targets for other transcription factors that may synergistically regulate gene transcription. Applying this method to cell cycle-related promoters, we created a program for context-specific identification of binding sites for transcription factors of the E2F family which are key regulators of the cell cycle. We found that E2F composite modules are found at a high frequency and in close proximity to the start of transcription in cell cycle-related promoters in comparison with other promoters. Using this information, we then searched for E2F sites in genomic sequences with the goal of identifying new genes which play important roles in controlling cell proliferation, differentiation and apoptosis. Using a chromatin immunoprecipitation assay, we then experimentally verified the binding of E2F in vivo to the promoters predicted by the computer-assisted methods. Our identification of new E2F target genes provides new insight into gene regulatory networks and provides a framework for continued analysis of the role of contextual promoter features in transcriptional regulation. The tools described are available at http://compel.bionet.nsc.ru/FunSite/SiteScan.html.

Animals↗

Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model.

The conductor-like solvation model, as developed in the framework of the polarizable continuum model (PCM), has been reformulated and newly implemented in order to compute energies, geometric structures, harmonic frequencies, and electronic properties in solution for any chemical system that can be studied in vacuo. Particular attention is devoted to large systems requiring suitable iterative algorithms to compute the solvation charges: the fast multipole method (FMM) has been extensively used to ensure a linear scaling of the computational times with the size of the solute. A number of test applications are presented to evaluate the performances of the method.

Journal Article↗

The application of artificial intelligence in healthcare practice: A mapping review of systematic reviews.

Artificial intelligence (AI) is rapidly transforming healthcare practice, with growing evidence supporting its use in diagnosis, prognosis, treatment planning, and operational decision-making. The proliferation of systematic reviews in recent years underscores the need for an updated synthesis of the literature to inform research, policy, and practice. We searched PubMed, Web of Science, Scopus, IEEE Xplore, and CINAHL for systematic reviews and meta-analyses published between 2019 and February 2026. Eligible reviews focused on AI applications in healthcare practice, were peer-reviewed, and written in English. A total of 368 reviews met the inclusion criteria. Publication volume increased steadily, peaking in 2025. AI research was concentrated in high-density domains, such as radiology, oncology, and critical care. Across reviews, diagnostic imaging, electronic health record (EHR) data, and biomarkers/laboratory results accounted for 68% of training data sources, though newer data types, such as wearable device and sensor data, emerged from 2022 onward. Diagnosis, prognosis, and treatment comprised over 80% of AI applications, with novel uses emerging in recent years, such as AI-assisted clinical documentation (e.g., ambient documentation tools) and patient education. Ethical concerns were reported in 78.5% of reviews, with privacy, model accuracy, data and algorithmic bias, and explainability as recurrent themes. The proportion of reviews reporting ethical concerns increased from 2021 to 2025. AI applications in healthcare are expanding in scope, diversifying in data sources, and evolving toward novel clinical and operational uses. The human-centered AI or augmented intelligence paradigm, integrating computational precision with clinical expertise, holds significant promise but will require parallel advances in governance, regulatory frameworks, and ethical oversight to ensure safe adoption.

Artificial Intelligence↗

Transmembrane protein structures without X-rays.

Transmembrane (TM) proteins constitute 15-30% of the genome, but <1% of the structures in the Protein Data Bank. This discrepancy is disturbing, and emphasizes that structure determination of TM proteins remains challenging. The challenge is greatest for proteins from eukaryotes, the structures of which remain intractable despite tremendous advances that have been made towards structure determination of bacterial TM proteins. Notably, >50% of the membrane protein families in eukaryotes lack bacterial homologs. Therefore, it is conceivable that many more years will elapse before high-resolution structures of eukaryotic TM proteins emerge. Until then, integrated approaches that combine biochemical and computational analyses with low-resolution structures are likely to have increasingly important roles in providing frameworks for the mechanistic understanding of membrane-protein structure and function.

Bacterial Proteins↗

Artificial life and Piaget.

Artificial life provides important theoretical and methodological tools for the investigation of Piaget's developmental theory. This new method uses artificial neural networks to simulate living phenomena in a computer. A recent study by Parisi and Schlesinger suggests that artificial life might reinvigorate the Piagetian framework. We contrast artificial life with traditional cognitivist approaches, discuss the role of innateness in development, and examine the relation between physiological and psychological explanations of intelligent behaviour.

Journal Article↗

Decomposition of the solvation free energies of deoxyribonucleoside triphosphates using the free energy perturbation method.

Free energy perturbation (FEP) calculations using the Amber 95 force field and the TIP3P water model were carried out to evaluate the solvation free energy of deoxyribonucleoside triphosphates in aqueous solution. Solvation free energies of -307.5, -311.5, -314.1, and -317.0 kcal/mol were calculated for the (Mg x dTTP)2-, (Mg x dATP)2-, (Mg x dCTP)2-, and (Mg x dGTP)2- complexes, respectively. Structural origins of the relative solvation free energies of deoxyribonucleoside phosphates were examined by calculating the contribution of the interaction of the base moiety with its surroundings. We showed that for each nucleobase the magnitude of this contribution is unaffected by substituting the 5'-OH group of the corresponding nucleoside with the charged mono- or triphosphate groups. This free energy contribution was further decomposed into the sum of free energies originating from the interactions of the base with itself, its substituent, water, and Na+ ions. Although the sum of these components was nearly constant over a wide range of solutes the individual free energy constituents varied significantly. Furthermore, this decomposition showed a high degree of additivity. Computational conditions necessary for obtaining additive free energy decomposition for the systems studied here within the framework of the FEP method included the use of a single mutation pathway and a subdivision of the FEP protocol into 51 or more windows.

Deoxyribonucleosides↗

Linear Bayesian inference for accelerated Weibull model.

In this paper, we present a Bayesian approach for inference from accelerated life tests when the underlying life model is Weibull. Our approach is based on the General Linear Models framework of West, Harrison and Migon (1985). We discuss inference for the model and show that computable results can be obtained using linear Bayesian methods. We illustrate the usefulness of our approach by applying it to some actual data from accelerated life tests.

Bayes Theorem↗