High Computational Efficiency Research Articles

Reparameterization of the mW model to accurately predict the experimental phase diagram of methane hydrate.

Due to their high computational efficiency, the coarse-grained water models are of particular importance for practical molecular simulations of gas hydrates. In these models, the mW model is successfully used to study many thermodynamics and dynamics of methane hydrate. Yet, despite several decades of intense research, the mW model is still found to overestimate the melting temperature of methane hydrate. We here employ the minimum mean squared error estimation to revisit the key parameter of the mW model, which determines the strength of the tetrahedral angle of the water system. Relying on the free energy calculations, we first estimate the chemical potentials of water in the liquid phase for temperatures at which methane hydrate forms. We then turn to the mean squared error to describe the chemical potential deviation between the mW model and the TIP4P/ice model (the latter could reproduce the experimental phase diagram of methane hydrate). By minimizing the mean squared error, we finally have an optimized parameter for the mW model. In this part, we also discuss the pressure effect on such reparameterization procedure. Moreover, relying on the direct coexistence method, the melting temperature determined using the reparameterized mW model is found to be consistent with the experimental data. This strategy provides a means to improve the coarse-grained model to match the experimental observations for temperatures in the range of interest.

Research on Oil Well Production Prediction Based on GRU-KAN Model Optimized by PSO

Accurately predicting oil well production volume is of great significance in oilfield production. To overcome the shortcomings in the current study of oil well production prediction, we propose a hybrid model (GRU-KAN) with the gated recurrent unit (GRU) and Kolmogorov–Arnold network (KAN). The GRU-KAN model utilizes GRU to extract temporal features and KAN to capture complex nonlinear relationships. First, the MissForest algorithm is employed to handle anomalous data, improving data quality. The Pearson correlation coefficient is used to select the most significant features. These selected features are used as input to the GRU-KAN model to establish the oil well production prediction model. Then, the Particle Swarm Optimization (PSO) algorithm is used to enhance the predictive performance. Finally, the model is evaluated on the test set. The validity of the model was verified on two oil wells and the results on well F14 show that the proposed GRU-KAN model achieves a Root Mean Square Error (RMSE), Mean Absolute Error (MAE), Mean Absolute Percentage Error (MAPE) and Coefficient of Determination (R2) values of 11.90, 9.18, 6.0% and 0.95, respectively. Compared to popular single and hybrid models, the GRU-KAN model achieves higher production-prediction accuracy and higher computational efficiency. The model can be applied to the formulation of oilfield-development plans, which is of great theoretical and practical significance to the advancement of oilfield technology levels.

TIA-UNet: Transformer-Enhanced Deep Learning for Adolescent Idiopathic Scoliosis Spinal X-Ray Image Segmentation

Abstract Adolescent Idiopathic Scoliosis (AIS) is a common spinal deformity where precise diagnosis is crucial for developing effective treatment strategies. Traditional manual X-ray image analysis is time-consuming and highly dependent on the operator’s expertise, thus constraining diagnostic efficiency and accuracy.This study aimed to develop an automated thoracolumbar spine segmentation method utilizing deep learning to enhance the efficiency and accuracy of AIS diagnosis. We introduced TIA-UNet, an innovative network architecture that combines Convolutional Neural Networks (CNN) with Transformer models.By integrating the IR Block and DA Block, TIA-UNet was optimized for feature extraction and multi-scale information fusion. The model underwent training and validation using our established Adolescent Scoliosis Medical Dataset (ASMD).TIA-UNet attained a Dice similarity coefficient of 90.02%, a Mean Intersection over Union (MIoU) of 81.96%, and a Hausdorff Distance (HD) of 4.09, significantly surpassing current state-of-the-art methods such as UNet and TransUNet. Moreover, TIA-UNet exhibited superior computational efficiency regarding parameter count, inference time, and floatingpoint operations (FLOPs).As an automated medical image segmentation algorithm, TIA-UNet enhanced segmentation accuracy while maintaining high computational efficiency, demonstrating significant potential for clinical diagnostic applications. This study provides compelling evidence supporting the utilization of deep learning
techniques in medical image analysis.

Nested Neural Networks: A Novel Approach to Flexible and Deep Learning Architectures

It’s easy to get lost in the complexities of sentences like, “Never will I have been in a place whose experiences will have been teaching me how amazing life really is till the beginning of every one of those marvelous whole new advenchallenges for more than 20 years of life by the end of my military service.” These kinds of nested and layered statements are not just the domain of advanced grammar—they have a parallel in cutting-edge technology as well. This paper introduces a novel neural network architecture, termed Nested Neural Networks (NNN), that incorporates nested layers within a more complex overarching structure. Much like the layered conditions in Future Perfect and Future Perfect Progressive tenses, NNNs utilize ‘nested’ conditions to bring flexibility and depth to data processing. This structure captures complex relationships, achieving high performance, computational efficiency, and generalization across tasks, much as understanding the nested clauses of a sentence can reveal deeper meanings. Our experiments on benchmark datasets demonstrate NNNs’ ability to handle intricate data patterns with enhanced memory efficiency and training adaptability, often outperforming traditional models. This fascinating intersection between language and machine learning showcases the powerful potential of structured complexity, whether in communication or computation.

Integrating material flow analysis into hydrological model for water environment management of large-scale urban-rural mixed catchment

Simultaneous simulation of urban and rural hydrological processes is important for water environment management of mixed land-uses catchments. However, the discharge paths of pollution in the urban drainage system are not described in traditional catchment hydrological models. In this study, an urban-rural water environment (URWE) model is developed through incorporating the material flow analysis (MFA) and the soil and water assessment tool (SWAT) into a general framework. The URWE model is an advancement with respect to traditional hydrological models in terms of simultaneously simulating the urban organized and rural decentralized discharges of pollution. Due to the low data requirement and high computational efficiency of MFA, URWE model is applicable to large-scale catchment with wide urban area. The URWE model is applied to a typical urban-rural mixed catchment, the Dianchi Catchment (China), where the pollution characteristics are analyzed and the pollution control measures are investigated. Results indicate that the URWE model outperforms the conventional SWAT model for both water quantity and quality simulations, with an 8.5 % improvement in average coefficient of determination (R2) and a 67.4 % improvement in average Nash coefficient (NSE). Rural best management practice, rainwater-sewage separation, and storage capacity expansion are identified as the most cost-effective measures for COD, TN, and TP reduction, respectively. Contributions of this study are to improve the accuracy of water environment simulation in urban-rural mixed catchment, as well as to help decision-makers develop synergistic urban-rural water environment management measures.

Low-rank quaternion tensor completion for color video inpainting via a novel factorization strategy

Recently, a quaternion tensor product named Qt-product was proposed, and then the singular value decomposition and the rank of a third-order quaternion tensor were given. From a more applicable perspective, we extend the Qt-product and propose a novel multiplication principle for third-order quaternion tensor named gQt-product. With the gQt-product, we introduce a brand-new singular value decomposition for third-order quaternion tensors named gQt-SVD and then define gQt-rank and multi-gQt-rank. We prove that the optimal low-rank approximation of a third-order quaternion tensor exists and some numerical experiments demonstrate the low-rankness of color videos. So, we apply the low-rank quaternion tensor completion to color video inpainting problems and present alternating least-square algorithms to solve the proposed low gQt-rank and multi-gQt-rank quaternion tensor completion models. The convergence analyses of the proposed algorithms are established and some numerical experiments on various color video datasets show the high recovery accuracy and computational efficiency of our methods.

A flexible 2.5D medical image segmentation approach with in-slice and cross-slice attention

Deep learning has become the de facto method for medical image segmentation, with 3D segmentation models excelling in capturing complex 3D structures and 2D models offering high computational efficiency. However, segmenting 2.5D images, characterized by high in-plane resolution but lower through-plane resolution, presents significant challenges. While applying 2D models to individual slices of a 2.5D image is feasible, it fails to capture the spatial relationships between slices. On the other hand, 3D models face challenges such as resolution inconsistencies in 2.5D images, along with computational complexity and susceptibility to overfitting when trained with limited data. In this context, 2.5D models, which capture inter-slice correlations using only 2D neural networks, emerge as a promising solution due to their reduced computational demand and simplicity in implementation. In this paper, we introduce CSA-Net, a flexible 2.5D segmentation model capable of processing 2.5D images with an arbitrary number of slices. CSA-Net features an innovative Cross-Slice Attention (CSA) module that effectively captures 3D spatial information by learning long-range dependencies between the center slice (for segmentation) and its neighboring slices. Moreover, CSA-Net utilizes the self-attention mechanism to learn correlations among pixels within the center slice. We evaluated CSA-Net on three 2.5D segmentation tasks: (1) multi-class brain MR image segmentation, (2) binary prostate MR image segmentation, and (3) multi-class prostate MR image segmentation. CSA-Net outperformed leading 2D, 2.5D, and 3D segmentation methods across all three tasks, achieving average Dice coefficients and HD95 values of 0.897 and 1.40 mm for the brain dataset, 0.921 and 1.06 mm for the prostate dataset, and 0.659 and 2.70 mm for the ProstateX dataset, demonstrating its efficacy and superiority. Our code is publicly available at: https://github.com/mirthAI/CSA-Net.

Dynamic Intelligent Analysis of Single-Column Pier Bridges Considering Vehicle–Bridge Interaction

With its advantages of low engineering cost, minimal space occupancy, and aesthetically pleasing shape, the single-column pier bridge is frequently utilized in urban viaducts and interchange ramps. Due to structural peculiarities, the bridge subjected to eccentric loading, flexural and torsional interaction, and centrifugal force may undergo tipping accidents. To better comprehend the overturning resistance of the bridge, the vibration governing equation of the bridge (idealized as an orthotropic thin plate with point supports in the domain model) is established considering vehicle–bridge interaction. An approximate dynamic analysis formula is subsequently derived via a hybrid method using the grey wolf optimizer. Compared with the outcomes of finite element analysis, the maximal deviation arising from this derived analytical formula is approximately [Formula: see text]% with the greater discrepancy being observed in scenarios featuring minimal support reactions. Compared with the finite element method, the proposed method in this study has higher computational efficiency with precision. This analytical solution is then utilized in the parametric study to scrutinize the influences of span, road surface roughness, and vehicle velocity on a single-column pier bridge under four vehicles. The analysis findings indicate that the proposed approach is reasonably precise, remarkably efficient, and efficacious.

CLAP. I. Resolving miscalibration for deep learning-based galaxy photometric redshift estimation

Obtaining well-calibrated photometric redshift probability densities for galaxies without a spectroscopic measurement remains a challenge. Deep learning discriminative models, typically fed with multi-band galaxy images, can produce outputs that mimic probability densities and achieve state-of-the-art accuracy. However, several previous studies have found that such models may be affected by miscalibration, an issue that would result in discrepancies between the model outputs and the actual distributions of true redshifts. Our work develops a novel method called the C ontrastive L earning and A daptive KNN for P hotometric Redshift (CLAP) that resolves this issue. It leverages supervised contrastive learning (SCL) and $k$-nearest neighbours (KNN) to construct and calibrate raw probability density estimates, and implements a refitting procedure to resume end-to-end discriminative models ready to produce final estimates for large-scale imaging data, bypassing the intensive computation required for KNN. The harmonic mean is adopted to combine an ensemble of estimates from multiple realisations for improving accuracy. Our experiments demonstrate that CLAP takes advantage of both deep learning and KNN, outperforming benchmark methods on the calibration of probability density estimates and retaining high accuracy and computational efficiency. With reference to CLAP, a deeper investigation on miscalibration for conventional deep learning is presented. We point out that miscalibration is particularly sensitive to the method-induced excessive correlations among data instances in addition to the unaccounted-for epistemic uncertainties. Reducing the uncertainties may not guarantee the removal of miscalibration due to the presence of such excessive correlations, yet this is a problem for conventional methods rather than CLAP. These discussions underscore the robustness of CLAP for obtaining photometric redshift probability densities required by astrophysical and cosmological applications. This is the first paper in our series on CLAP.

Multicolor wavefront sensing using Talbot effect for high-order harmonic generation

High-order harmonic generation (HHG) using femtosecond lasers is an efficient and cost-effective method for producing attosecond and femtosecond light in the extreme ultraviolet and soft x-ray regions. This technique generates high-brightness harmonic beams with stable spectra, intensity, and wavefronts, making it a valuable tool for applications such as nanoimaging, material metrology, and studies of ultrafast dynamics. Accurate wavefront measurement of HHG beams is essential for analyzing complex incident fields, understanding atomic responses, and enhancing applications such as attosecond-driven ultrafast processes. However, quantifying the wavefronts of each harmonic component remains a challenge. Here, we present a multicolor wavefront sensing for HHG beams using the Talbot effect, validated theoretically and experimentally. Our method reconstructs individual high-order harmonic wavefronts with a spectral resolution of 4.8 eV, capturing multiple harmonic wavelengths in a single scan along the propagation direction, without the need for additional spectrometers or complex calibrations. This approach surpasses conventional Talbot effect wavefront sensing, which typically relies on quasimonochromatic waves or wavelength-averaging. Additionally, we introduce a high-accuracy centroid detection strategy that reduces tracking errors to the thousandths of a pixel while maintaining high computational efficiency, paving the way for broader applications in imaging and metrology. Published by the American Physical Society 2024

Automatically Differentiable Higher-Order Parabolic Equation for Real-Time Underwater Sound Speed Profile Sensing

This paper is dedicated to the acoustic inversion of the vertical sound speed profiles (SSPs) in the underwater marine environment. The method of automatic differentiation is applied for the first time in this context. Representing the finite-difference Padé approximation of the propagation operator as a computational graph allows for the analytical computation of the gradient with respect to the SSP directly within the numerical scheme. The availability of the gradient, along with the high computational efficiency of the numerical method used, enables rapid inversion of the SSP based on acoustic measurements from a hydrophone array. It is demonstrated that local optimization methods can be effectively used for real-time sound speed inversion. Comparative analysis with existing methods shows the significant superiority of the proposed method in terms of computation speed.

Spectral element method for random vibration analysis of the vehicle-track coupling system

In this paper, we propose a new random vibration analysis model for the vertical vehicle-track coupling system, which combines the symplectic method and the spectral element method (SEM) to enhance calculation efficiency and accuracy. The model assumed that the vehicle is composed of a multi-rigid body with 10 DOFs, and its motion equation is derived using the traditional frequency analysis method. Tracks are considered periodic structures, and the part between sleeper support points is considered a substructure. The motion equation of the periodic track-substructure is established by spectral element method (SEM), and the propagation of vibration wave between the substructures is calculated by the symplectic method. The frequency responses of the vehicle-track coupling system are calculated by using the German low-interference irregularity spectrum and short-wave irregularity spectrum as excitation. Then, the rationality of this method is verified by comparing it with the results from the traditional symplectic method and simulations using Universal Mechanism software. The comparison shows that this method surpasses the traditional symplectic method in high-frequency accuracy while maintaining high computational efficiency. Although the finite element method also has the capability for high-frequency analysis, this method can calculate the high-frequency vibration of an infinitely long track using just one element, making it more suitable for the efficient analysis of vehicle-track coupling systems. Finally, the model is applied to analyze the distribution characteristics of the vibration response of the coupled system in the frequency domain.

Leveraging Machine Learning for Photometric Redshift Estimation of JWST Galaxies

With the launch of JWST, the volume and complexity of astronomical data are increasing, a trend that will continue with future instruments such as SKA and Euclid. It is inevitable that data-driven methods will become more prominent alongside model-driven analysis. This research utilises machine learning, specifically a kernelised local linear regression model, in photometric redshift predictions of galaxies observed with JWST. With a spectroscopic dataset of 4605 galaxies, we trained the model and achieved a deviation of σdz = 0.018 and a catastrophic outlier rate of foutlier = 3.5%. These results demonstrate high accuracy and computational efficiency, highlighting the potential of machine learning for astronomical data analysis, in particular for large-scale surveys.

A fast temporal multiple sparse Bayesian learning-based channel estimation method for time-varying underwater acoustic OFDM systems

In this paper, a fast temporal multiple sparse Bayesian learning (FTMSBL)-based channel estimation method for underwater acoustic (UWA) orthogonal frequency division multiplexing (OFDM) systems is proposed, which is optimized using the fast marginalized likelihood maximization method. The algorithm fully uses the consistent sparse structure and time-domain correlation properties of channels to improve the reconstruction performance and computational efficiency, offering better performance and higher computational efficiency than the traditional Bayesian learning algorithms. At the same time, the FTMSBL algorithm does not require computing the inverse of large matrices and consumes very little storage resources in the operation, making it suitable for hardware implementation. Simulation and sea trial results show that the FTMSBL-based underwater channel estimation algorithm achieves higher channel estimation accuracy than the orthogonal matching tracking algorithm, and the system bit error rate (BER) is significantly reduced; specifically, the FTMSBL algorithm can achieve optimal performance in strong time-dependent channels.

Drop Tests and Numerical Analyses of Composite Beams with Corrugated Web

To evaluate the energy absorption ability of composite beams with corrugated web under impact, the drop tests were conducted to demonstrate the fracture modes and obtain the load and energy history curves. Based on the drop tests, a finite element (FE) model was proposed with a weak link designed to trigger crushing, developed using Abaqus/Explicit, which integrates cohesive elements and employs the improved Hashin criterion along with the Choi–Chang criterion to accurately predict the onset and progression of delamination. The model accounts for the anisotropy and progressive damage in composite laminates. The periodic boundary conditions (PBCs) were integrated into the single-wave corrugated web beam model, the inherent limitations of which were corrected, enabling it to simulate the crushing process with the same effectiveness as the multi-wave model. As a result, the proposed model can accurately depict the progressive crushing behavior of corrugated web beams under impact loads while maintaining high computational efficiency.

LT-DeepLab: an improved DeepLabV3+ cross-scale segmentation algorithm for Zanthoxylum bungeanum Maxim leaf-trunk diseases in real-world environments.

Zanthoxylum bungeanum Maxim is an economically significant crop in Asia, but large-scale cultivation is often threatened by frequent diseases, leading to significant yield declines. Deep learning-based methods for crop disease recognition have emerged as a vital research area in agriculture. This paper presents a novel model, LT-DeepLab, for the semantic segmentation of leaf spot (folium macula), rust, frost damage (gelu damnum), and diseased leaves and trunks in complex field environments. The proposed model enhances DeepLabV3+ with an innovative Fission Depth Separable with CRCC Atrous Spatial Pyramid Pooling module, which reduces the structural parameters of Atrous Spatial Pyramid Pooling module and improves cross-scale extraction capability. Incorporating Criss-Cross Attention with the Convolutional Block Attention Module provides a complementary boost to channel feature extraction. Additionally, deformable convolution enhances low-dimensional features, and a Fully Convolutional Network auxiliary header is integrated to optimize the network and enhance model accuracy without increasing parameter count. LT-DeepLab improves the mean Intersection over Union (mIoU) by 3.59%, the mean Pixel Accuracy (mPA) by 2.16%, and the Overall Accuracy (OA) by 0.94% compared to the baseline DeepLabV3+. It also reduces computational demands by 11.11% and decreases the parameter count by 16.82%. These results indicate that LT-DeepLab demonstrates excellent disease segmentation capabilities in complex field environments while maintaining high computational efficiency, offering a promising solution for improving crop disease management efficiency.

Position and orientation estimation method based on 3D digital morphology contour registration

Abstract Accurately and quickly obtaining the positions and orientations of mechanical parts based on the digital morphologies of mechanical parts are the key to achieving efficient and accurate assembly of mechanical parts. However, due to poor robustness and compactness in extracting digital morphology contours of mechanical parts, the accuracy of assembly positions and orientations obtained by using digital morphology contours cannot meet the requirements of high-precision assembly. Therefore, this paper proposes a position and orientation estimation method based on 3D digital morphology contour registration. This method extracts and optimizes digital morphology contours of mechanical parts and obtains the assembly positions and orientations by using an improved iterative closest point method to register the extracted digital morphology contours with those of the mechanical parts in assembly targets with desired positions and orientations. Experiments are conducted using mechanical parts from the ABC dataset and inertial confinement fusion micro-target. From the experimental results, when using the assembly positions and orientations obtained through the method proposed in this paper to assemble mechanical parts, it can achieve translation absolute errors of 8 μm, 5 μm, and 9 μm along the X-, Y-, and Z-axes, respectively. Similarly, the angular absolute errors in rotations around the Z-, Y-, and X-axes can be less than or equal to 0.16°, 0.15°, and 0.11°, respectively. The results prove that the proposed method in this paper exhibits high computational efficiency and accuracy, providing an effective approach for digital assembly of mechanical parts.

Deep-Learning-Based Amplitude Variation with Angle Inversion with Multi-Input Neural Networks

Deep-learning-based (DL-based) seismic inversion has emerged as one of the state-of-the-art research areas in exploration geophysics with the development of artificial intelligence technology. Due to its good portability and high computational efficiency, this method has emerged as a data-driven approach for estimating subsurface properties. However, most of the current DL-based methods rely solely on seismic data, lacking the incorporation of prior information. In addition, these methods are usually performed trace-by-trace, resulting in insufficient horizontal constraints. These limitations make traditional methods less robust, particularly when dealing with high noise levels or limited data. To address these challenges, we propose a multi-input deep learning network for pre-stack inversion, which combines data-driven and model-driven approaches for optimization. The proposed method separately extracts features from the model and data, merging them to improve feature utilization. Moreover, by adopting a 2-D training unit, rather than a trace-by-trace approach, the method improves the horizontal continuity of the results. Tests on synthetic and real seismic data confirmed the robustness and improved stability of the proposed method, even under challenging conditions. This dual-driven approach significantly enhances the reliability of seismic inversion.

A Review of the Homogenized Lattice Boltzmann Method for Particulate Flow Simulations: From Fundamentals to Applications

The homogenized lattice Boltzmann method (HLBM) has emerged as a flexible computational framework for studying particulate flows, providing a monolithic approach to modeling pure fluid flows and flows through porous media, including moving solid and porous particles, within a unified framework. This paper presents a thorough review of HLBM, elucidating its underlying principles and highlighting its diverse applications to particle-laden flows in various fields as reported in literature. These include studies leading to new fundamental knowledge on the settling of single arbitrarily shaped particles as well as application-oriented research on wall-flow filters, hindered settling, and evaluation of the damage potential during particle transport. Among the strengths of HLBM are its monolithic approach, which allows seamless simulation of different fluid-solid interactions, and its ability to handle arbitrary particle shapes, including irregular and concave geometries, while resolving surface interactions to capture local forces. In addition, its parallel scheme based on the lattice Boltzmann method (LBM) results in high computational efficiency, making it suitable for large-scale simulations, even though LBM requires small time steps. Important future development needs are identified, including the addition of a lubrication force correction model, performance enhancements, such as support for hybrid parallelization and GPU, and the extension of compatible contact models to accommodate concave shapes. These advances promise expanded capabilities for HLBM and broader applicability for solving complex real-world problems.

Sequential bias-corrected weighted least squares solution of mixed additive and multiplicative error models

In the era of big data, the number of observations in adjustment calculations may reach tens or even hundreds of thousands. When dealing with these large dataset problems, many matrix operations are often required. At this time, the dimensions of the matrix will be large, which will generate a great computational burden. At present, no research results have been published on the computational efficiency of bias-corrected weighted least squares (bcWLS) for mixed additive and multiplicative error models (MAMEM). Sequential adjustment (SEA) groups the observations for calculation and can provide the same computational precision while greatly improving computational efficiency. This paper applies the idea of SEA to the calculation of bcWLS and proposes an iterative solution for sequential bcWLS (SEbcWLS). Using three simulation experiments to verify the effectiveness of our method, it was found that when the number of observations is 10000, the effect is better when the number of groups does not exceed 100, achieving the same precision as the original method while having high computational efficiency. The calculation results of line fitting and plane fitting are not affected by the number of grouping groups. For DEM (Digital elevation model) experiments with strong nonlinearity, when the number of grouping groups is too large, the effect is not very good, but the calculation efficiency is also higher than the original method, and the difference in calculation results is not significant.