Computational Science and Its Applications – ICCSA 2023: 23rd International Conference, Athens, Greece, July 3–6, 2023, Proceedings, Part I

Description

The two-volume set LNCS 13956 and 13957 constitutes the refereed proceedings of the 23rd International Conference on Computational Science and Its Applications, ICCSA 2023, held at Lesvos Island, Greece, during July 3–6, 2023. The 67 full papers and 13 short papers and 6 PHD showcase papers included in this volume were carefully reviewed and selected from a total of 283 submissions. The contributions are grouped in topics which deal with General Track 1: Computational Methods, Algorithms and Scientific Applications; General Track 2: High Performance Computing and Networks; General Track 3: Geometric Modeling, Graphics and Visualization; General Track 4: Advanced and Emerging Applications; General Track 5: Information Systems and Technologies; General Track 6: Urban and Regional Planning; and PHD Showcase Papers. Preface Welcome Message from Organizers Organization Plenary Lectures A Multiscale Planning Concept for Sustainable Metropolitan Development Graph Drawing and Network Visualization – An Overview – (Keynote Speech) Understanding Non-Covalent Interactions in Biological Processes through QM/MM-EDA Dynamic Simulations Contents – Part I Contents – Part II Computational Methods, Algorithms and Scientific Applications Review on Nuclear Thermal Propulsion Analysis of Fuel Element and Simulation Methods 1 Introduction 1.1 Fundamentals of Nuclear Propulsion 2 Nuclear Thermal Core Description 3 Mathematical Model Simulation Methods and Codes 3.1 Semi-Implicit Method for Pressure Linked Equations (SIMPLE) 3.2 Conjugate Heat Transfer (CHT) Model 3.3 Generalized Nuclear Foam - GeN-Foam 3.4 Thermal Hydraulics Equations 3.5 Thermal Mechanics Equations 4 Summary References Modified Differential Evolution Algorithm Applied to Economic Load Dispatch Problems 1 Introduction 2 Economic Load Dispatch Problem Description 2.1 Objective Function 2.2 Practical Operation Constraints of Generator 3 Differential Evolution 3.1 Algorithm 3.2 Mutation and Crossover Operators 4 Modified Differential Evolution 5 Methodology 5.1 Classic Economic Load Dispatch with 15 Generating Units 5.2 Non-Convex Economic Load Dispatch with 15 Generating Units 6 Results 6.1 Classic Economic Load Dispatch with 15 Generating Units 6.2 Non-Convex Economic Load Dispatch with 15 Generating Units 7 Conclusion and Future Works References An Evaluation of Direct and Indirect Memory Accesses in Fluid Flow Simulator 1 Introduction 2 Contextualization and Related Work 3 Numerical Fluid-Flow Simulator Data Structure 4 Results and Analysis 4.1 VTUNE Analysis: Cache Miss Evaluation 4.2 Cache Miss and Cache Hit Evaluations on Intel® Xeon® E5-2695v2 Ivy Bridge and Intel® Xeon® Cascade Lake Gold 6252 5 Conclusions and Future Works References Design and Implementation of Wind-Powered Charging System to Improve Electric Motorcycle Autonomy 1 Introduction 1.1 Design and Calculate 1.2 Results and Discussion 1.3 Conclusions References Computational Studies Unveiling the Mechanism of Action of Selected Pt-, Te-, Au-, Rh-, Ru-Based Drugs 1 Introduction 2 Pt-Based Antitumour Metallodrug: Arsenoplatin 3 Te-Based Antitumour Metallodrug: AS101 4 Au-Based Metallodrug: Auranofin 5 DiRh- and diRu-Based Paddlewheel Metallodrugs 6 Computational Perspective 7 Conclusions References Formulations for the Split Delivery Capacitated Profitable Tour Problem 1 Introduction 2 Related Literature 2.1 Profitable Tour Problems 2.2 Split Delivery in Routing Problems 3 Problem Definition and Mathematical Programming Formulations 3.1 Problem Definition 3.2 Mathematical Programming Formulations 4 Computational Experiments and Numerical Results 4.1 Instance Generation 4.2 Experimental Results 5 Conclusion and Future Research References Multidimensional Scattered Time-varying Scattered Data Meshless Interpolation for Sensor Networks 1 Introduction 2 Spatio-temporal Data Classification 3 Radial Basis Functions 3.1 Distance 3.2 Squared Normalized RBF 4 RBF Functions 5 RBF Interpolation Example 5.1 Algorithm Based on Triangulation and Timmer Patches 5.2 RBF Interpolation 6 Conclusion References CFD Prediction of Wind Turbine Blade Compressible Aerodynamics 1 Introduction 2 CFD Model 2.1 Case Study 2.2 Computational Domain 2.3 Unsteady RANS Model 2.4 CFD Solver 3 Results 4 Conclusions and Perspectives References Fast CUDA Geomagnetic Map Builder 1 Introduction 1.1 Geomagnetic Data 1.2 Inverse Distance Weight 1.3 Kriging 1.4 GPU Programming 2 Methods 3 Results and Discussions 4 Conclusions and Perspectives References A Compact-RBF-FD Scheme for Valuing Financial Derivatives Based on Short-Rate Models 1 Introduction 2 The CKLS Model 2.1 Analytical Solution for Bonds 3 Compact-RBF Method 4 Numerical Results 4.1 Bond Options 5 Conclusion References Heuristics for the de Bruijn Graph Sequence Mapping Problem 1 Introduction 2 Preliminaries 2.1 Sequence, Distance and Graphs 3 Approaches for the de Bruijn Graph Sequence Mapping Problem 3.1 An Algorithm for the de Bruijn Graph Sequence Mapping Problem 3.2 Heuristics 4 Experiments and Results 4.1 Tests to Obtain Mapping - Heuristic 1 4.2 Tests to Obtain Mapping - All Heuristics 4.3 Tests to Obtain only Distances - Heuristic 1 5 Discussion, Perspectives and Conclusions References Computational Grid Optimization for the 3D Higher-Order Parabolic Equation 1 Introduction 2 3D PE 3 Numerical Solution 3.1 Padé Approximation of the Propagator 3.2 Approximation of the Transversal Operator 4 Dispersion Relations 5 Optimization Algorithm 5.1 Optimizing of the Reference Propagation Constant 5.2 Mesh Optimization 6 Optimization Results 6.1 Reference Propagation Constant Impact 6.2 Impact of the Operator Splitting 6.3 Comparison of the 2nd and 4th Order Schemes 6.4 Comparison of Various Padé approximation orders 7 Conclusion References Sensitivity Analysis of Markovian Exact Reproduction Numbers 1 Introduction 2 Quantifying the Potential Transmission in a Stochastic SVIS Model with an External Source of Infection and Imperfect Vaccine 3 Sensitivity Analysis of the Factorial Moments of Re0 4 Sensitivity Analysis of the Factorial Moments of Rp 5 Numerical Analysis 6 Conclussions and Future Work References Invariant Polarization Signatures for Recognition of Hydrometeors by Airborne Weather Radars 1 Introduction 2 Microphysical Parameters of Hydrometeors 3 Radar Characteristics of Hydrometeors 4 Invariant Polarization Signatures of Radar Targets 5 Experimental Equipment 6 Experimental Results 7 Conclusion References Extended Pairwise Sequence Alignment 1 Introduction 2 Preliminaries 3 Computing Optimal Extended Alignments 3.1 Running Time and Complexity 4 Conclusion References Exploring Machine Learning Algorithms and Numerical Representations Strategies to Develop Sequence-Based Predictive Models for Protein Networks 1 Introduction 2 Methods 2.1 Collecting and Processing Datasets 2.2 Numerical Representation Strategies of Protein Sequences 2.3 Building Datasets to Train Predictive Models 2.4 Implementation Strategies of Preprocessing and Predictive Models and Execution Process 3 Results and Discussions 3.1 Exploring Datasets and Numerical Representation Strategies 3.2 Training Predictive Models via Classic Machine Learning Algorithms and Deep Learning Architectures 3.3 Using the Explored Strategies to Build a Predictive Model 4 Conclusions References A Constructive Algorithm for the Split Delivery Vehicle Routing Problem (SDVRP) 1 Introduction 1.1 SDVRP 2 Literature Review 3 Methodology 3.1 Variable Storage Design 3.2 Storage of Variables I (Client/depot) 3.3 Variable Storage II (Vehicle) 3.4 Solution Design 3.5 Rectification of Routes 3.6 Comparative Analysis 4 Results 4.1 Results of the Computational Experiment 5 Conclusion References High Performance Computing and Networks Energy Consumption Monitoring System (kWh) and Load Control Through Messaging Applications 1 Introduction 2 Related Works 3 Design of the System 3.1 Stage 1. Design of Basic Functions 3.2 Stage 2. Design of the Monitoring System 3.3 Stage 3. Implementation of Load Control 4 Implementation of the System 4.1 Calculation of the Value of Energy Consumption 4.2 Assembly 5 Results 6 Conclusions References Developing Ultrahigh-Resolution E3SM Land Model for GPU Systems 1 Introduction 2 Terrestrial Ecosystem Data-Oriented ELM Simulation 2.1 ELM Datatypes and Globally Accessible Variables 2.2 Domain Decomposition and Gridcell Aggregation 2.3 Terrestrial Ecosystem Processes in ELM 2.4 ELM Simulation with Computational Loops 3 GPU-ready uELM Development on Summit 3.1 uELM Design Considerations 3.2 uELM Code Generation and Performance Tuning on Summit 4 Numerical Experiments and Performance Evaluation 4.1 Execution Time 4.2 Memory Reduction 4.3 Advanced Performance Improvements and Race Condition Detection 5 Conclusions References A Reliability-Based Task Scheduling Method for Wireless Distributed Systems 1 Introduction 2 Methodology/Experimental 2.1 Generation of DAG 2.2 Battery Status and Discharge Power 2.3 Reliability of the System 2.4 Phases of Task Scheduling in WDS 3 Results 4 Discussion 5 Conclusion References Information Systems and Technologies Maize (Corn) Leaf Disease Detection System Using Convolutional Neural Network (CNN) 1 Introduction 2 Literature Review 3 Methods and Materials 3.1 Dataset Collection and Analysis 3.2 System Specification Model 3.3 Model Development 3.4 Summary of Methodology 4 Result and Discussion 4.1 Result 4.2 Results Obtained After Training 4.3 Discussion of Result for Datasets 5 Conclusion and Recommendation 5.1 Conclusion 5.2 Recommendations References An Empirical Study on the Effectiveness of Bi-LSTM-Based Industry Rotation Strategies in Thai Equity Portfolios 1 Introduction 2 Methodology 2.1 Data Aggregation 2.2 Data Preprocessing 2.3 Model 2.4 Evaluation Metrics 2.5 Experimental Setup 3 Results and Discussion 4 Conclusion References Prediction of Urban Population-Facilities Interactions with Graph Neural Network 1 Introduction 2 Materials and Methods 2.1 Data 2.2 Gravity Model 2.3 The Proposed Approach 3 Results and Discussion 4 Conclusion 5 Supplementary Materials References JurisBERT: A New Approach that Converts a Classification Corpus into an STS One 1 Introduction 2 Background 2.1 Legal Precedent Retrieval 2.2 Semantic Textual Similarity (STS) 2.3 BERT 2.4 Transformers 2.5 Sentence BERT 3 Related Works 4 JurisBERT 4.1 Pre-training Corpus 4.2 Vocabulary Generation 4.3 Pre-training 5 Evaluating Semantic Textual Similarity 5.1 Fine-tuning 5.2 Discussions 6 Conclusion References Computational Music: Analysis of Music Forms 1 Introduction 2 Music Form 2.1 Fugue 2.2 Sonata 2.3 Theme and Variation Music 2.4 Other Forms 2.5 Significance and Complexity 3 Computational Music Analysis 3.1 Aims and Principles 4 Envisioned Methodology 4.1 Feature Engineering 4.2 Deep Learning 4.3 Case Study: Fugue Form Analysis 5 Problems and Challenges 5.1 Music Category 5.2 Non-music Category 6 Conclusion and Outlook References Learning by Small Loss Approach Multi-label to Deal with Noisy Labels 1 Introduction 2 Related Work 2.1 Deep Learning Models for Multi-class Noise 2.2 Deep Learning Models for Multi-label Noise 2.3 Small Loss Approach 2.4 Co-teaching 3 Learning by Small Loss Approach Multi-label 3.1 Small Loss Approach Multi-Label(SLAM) 3.2 The Proposed Approach 4 Experimental Details 4.1 Introduced Noise 4.2 Accuracy SLA Multi-label 4.3 Dataset UCMerced Multi-label 4.4 Dataset Subsea Equipment 4.5 Experimental Setup 5 Results and Discussion 5.1 Results Dataset UcMerced 5.2 Results Dataset Subsea Equipment 6 Conclusions and Future Work References Predicting Multiple Domain Queue Waiting Time via Machine Learning 1 Introduction 2 Related Work 3 CRISP-DM Methodology 3.1 Business Understanding 3.2 Data Understanding and Preparation 3.3 Modeling 3.4 Evaluation 3.5 Deployment 4 Conclusions References Evaluation of Time Series Causal Detection Methods on the Influence of Pacific and Atlantic Ocean over Northeastern Brazil Precipitation 1 Introduction 2 Data 3 Methods 3.1 Statistical Hypothesis Methods 3.2 Scalar Output Methods 4 Results 4.1 Correlation 4.2 Raw and Filtered Dataset 4.3 Detection Comparison 4.4 Temporal Stability 5 Conclusion References An Approach for Team Formation Using Modified Grey Wolf Optimizer 1 Introduction 2 Related Work 3 Metaheuristic-Based Approach for Team Formation 3.1 Grey Wolf Optimization 3.2 JAYA Algorithm 4 Preliminaries 4.1 Team Formation with Minimum Communication Cost 5 Proposed Improved Grey Wolf Optimization (IGWO) Algorithm 6 Experimental Results 6.1 Parameter Setting 7 Conclusion References FastCELF++: A Novel and Fast Heuristic for Influence Maximization in Complex Networks 1 Introduction 2 Background 2.1 Heuristics for the Solution of the IMP 2.2 Calculation of the Propagation Estimate 2.3 Expected Diffusion Value (EDV) 2.4 Local Influence Estimation (LIE) 2.5 Rank-Biased Overlap (RBO) 3 Proposed Methods 3.1 Calculating Diffusion Estimates with Metamodels 3.2 FastCELF 3.3 FASTCELF++ 3.4 Complexity Analysis 4 Data and Experiments 4.1 Networks 4.2 Experiments 5 Results and Discussion 6 Conclusions and Future Works References Enhancing Amazigh Speech Recognition System with MFDWC-SVM 1 Introduction 2 Amazigh Language 3 Amazigh Speech Database 4 Applied Methods 4.1 Pre-processing 4.2 Feature Extraction 4.3 Classification 5 Experimental Results and Discussion 6 Conclusion References Bibliometric Analysis of Robotic Process Automation Domain: Key Topics, Challenges and Solutions 1 Introduction 1.1 Background 2 Literature Summary 3 Methodology 3.1 Article Selection 3.2 Bibliometric Visualization Software Settings 4 Performance Analysis 4.1 Overall Publication Documents Over Time 4.2 Publication Documents by Subject Area Over the Last 10 Years 5 Science Mapping 5.1 Co-word Examination Bibliometric Analysis 5.2 Overlay Visualization Analysis on Current Issues 6 Discussions 7 Practical Implications 8 Conclusions 9 Limitations and Future Works References A Software Architecture Based on the Blockchain-Database Hybrid for Electronic Health Records 1 Introduction 2 Related Work 3 Software Architecture for Electronic Health Records 4 Evaluation 5 Discussion 6 Conclusions References Convolutional Neural Networks and Ensembles for Visually Impaired Aid 1 Introduction 2 Related Work 3 Dataset 4 CNN Architectures 5 CNN Comparison 6 CNN Ensembles 7 Conclusions References Artificial Bee Colony Algorithm for Feature Selection in Fraud Detection Process 1 Introduction 2 Related Works 3 Feature Selection 4 Population-Based Algorithms 4.1 Artificial Bee Colony Algorithm (ABC) 5 Methodology 5.1 Objective Function 5.2 Logistic Regression 5.3 Gradient Boosting 5.4 Random Forest 5.5 Algorithm Complexity 6 Results and Discussion 7 Conclusion References Automatic Features Extraction from the Optic Cup and Disc Segmentation for Glaucoma Classification 1 Introduction 2 Theoretical Framework 3 Related Work 4 Proposed Solution 4.1 Optic Nerve Isolation 4.2 Optical Disc Segmentation 4.3 Disc Cup Segmentation 4.4 Setting the Eye Direction 5 Proposal Evaluation 5.1 Environment 5.2 Results 6 Conclusion and Future Works References Implementation of eXplainable Artificial Intelligence 1 Introduction 2 Background 2.1 Artificial Intelligence 2.2 eXplainable Artificial Intelligence 3 Systematic Literature Review 3.1 Review Objectives and Research Questions 3.2 Search Strategy 3.3 Inclusion and Exclusion Criteria 3.4 Data Extraction 3.5 Analysis and Discussion of Results 3.6 Information Visualization 3.7 Evaluation or Validation with Users 3.8 Discussion 4 Proposal 4.1 Scenario 4.2 Tool Structure 4.3 Pose Estimation 4.4 Motion Evaluation 4.5 Use of Explainability 5 Conclusion 5.1 Relevance 5.2 Limitations References A Novel Natural Language Processing Strategy to Improve Digital Accounting Classification Approach for Supplier Invoices ERP Transaction Process 1 Introduction 1.1 Background 1.2 Objective 1.3 Research Approach 2 Literature Summary 2.1 Semantic Enrichment 2.2 Text Data Augmentation 2.3 Learning Models 3 Methodology 3.1 Business Understanding 3.2 Data Understanding 3.3 Data Preparation 3.4 Experimental Design 4 Results 5 Discussions and Conclusions 6 Limitations and Future Works References Knowledge Management Model: A Process View 1 Introduction 2 Knowledge 3 Knowledge Management 4 Background 5 Methods 6 The Individual Perspective: Learning 6.1 Individual and Organizational Learning 6.2 Internalization and Learning 6.3 Assimilation, Acquisition and Discover 6.4 Summary About the Individual Perspective 7 Repositories Perspective: Storage and Retrieval 7.1 Storage and Retrieval 7.2 Representation 7.3 Structuring 7.4 Summary About the Repositories Perspective 8 The Team’s Perspective: Sharing and Dissemination 9 Identification, Creation and Acquisition 9.1 Identification 9.2 Creation 9.3 Acquisition 9.4 Surveillance 9.5 Summary 10 Knowledge Management Model 11 Conclusions References eXplainable Artificial Intelligence - A Study of Sentiments About Vaccination in Brazil 1 Introduction 2 Existing Solutions 3 Development 3.1 Data Extraction 3.2 Data Processing 3.3 Model Training 3.4 Training Metrics Analysis 4 Applying Explainability Techniques 5 Conclusion 5.1 Future Work References Integrating Counterfactual Evaluations into Traditional Interactive Recommendation Frameworks 1 Introduction 2 Theoretical Framework 2.1 Collaborative Filtering 2.2 Multi-armed Bandits 2.3 CF-Based Multi-armed Bandits 2.4 Counterfactual 3 Tools for MAB Models 3.1 iRec 3.2 Open Bandit Pipeline - OBP 3.3 Integration Tool 4 Experiments 4.1 Traditional Evaluation 4.2 Counterfactual Evaluation 5 Conclusion and Future Works References Comparative Analysis of Community Detection and Transformer-Based Approaches for Topic Clustering of Scientific Papers 1 Introduction 2 Topic Modeling 2.1 Problem Setup 2.2 Preprocessing 2.3 Evaluation Metrics 2.4 Modeling 3 Results 3.1 Performance Speed 3.2 Scores Plots and Evaluation 3.3 2-D Clustering Plot 3.4 Wordclouds 4 Discussion 5 Conclusions and Future Work References Interactive Information Visualization Models: A Systematic Literature Review 1 Introduction 2 Methodology 2.1 Research Questions 2.2 Literature Search 2.3 Selection of Articles 2.4 Data Extraction 3 Results 4 Discussion 5 Conclusions References A Framework to Assist Instructors Help Novice Programmers to Better Comprehend Source Code ─ A Decoding Perspective 1 Introduction 2 Related Work 2.1 Source Code Comprehension Strategies 2.2 Comparing Novice and Expert Programmers 3 Research Design and Methods 3.1 Decoding Interviews 3.2 Data Analysis 3.3 Validation 4 Results and Interpretation 4.1 Self-orientation 4.2 Walkthroughs 4.3 Strategic Thinking 4.4 Revisit Previous Stages 4.5 Data Structure Identification 4.6 Deduction of Meaning from Context 4.7 Keyword Identification 5 Framework for Efficient SCC 6 Conclusions and Future Work References From Selecting Best Algorithm to Explaining Why It is: A General Review, Formal Problem Statement and Guidelines Towards to an Empirical Generalization 1 Introduction 2 A General Review: Understanding Levels, Influence Indexes and Analysis Approaches 2.1 Formal Nomenclature 2.2 Descriptive Understanding Level (D): The Phenomenon is Observed 2.3 Predictive Understanding Level (P) 2.4 Explanatory Understanding Level 3 A Trajectory Diagram and General Discussion 4 Setting the Problem Statement 5 A Framework General Proposal and Guidelines References A Machine Learning Methodology for Optimal Big Data Processing in Advanced Smart City Environments 1 Introduction 1.1 Map Generation 1.2 Group Generation 1.3 Group Sizing 2 Mathematical Model 3 Heuristic Model 3.1 First Stage 3.2 Second Stage 3.3 Example Result 3.4 Stability Testing 4 Conclusions and Future Work References Structural Node Representation Learning for Detecting Botnet Nodes 1 Introduction 2 Analysis of State-of-the-Art-Approaches 2.1 The Detection of Botnets 2.2 Graph Representation Learning 3 Description of Datasets 4 The Proposed Methodology: Inferential SIR-GN 5 Experimental Assessment and Analysis 5.1 Setup 5.2 Results 6 Conclusions and Future Work References A Preliminary Result of Implementing a Deep Learning-Based Earthquake Early Warning System in Italy 1 Introduction 2 Materials and Methods 2.1 Algorithm Behind LSTM 3 Results and Discussion 4 Conclusions References Author Index