Computational science - ICCS 2022 : 22nd international conference, London, UK, June 21-23, 2022 : proceedings. Part IV

The four-volume set LNCS 13350, 13351, 13352, and 13353 constitutes the proceedings of the 22ndt International Conference on Computational Science, ICCS 2022, held in London, UK, in June 2022.\*The total of 175 full papers and 78 short papers presented in this book set were carefully reviewed and selected from 474 submissions. 169 full and 36 short papers were accepted to the main track; 120 full and 42 short papers were accepted to the workshops/ thematic tracks. \*The conference was held in a hybrid format Preface Organization Contents – Part IV Machine Learning-Based Scheduling and Resources Allocation in Distributed Computing 1 Introduction and Related Works 2 Problem Statement 2.1 Online Resources Selection and Knapsack Problem 2.2 Machine Learning Model 3 Algorithms Implementation 3.1 Artificial Neural Network Design and Training 3.2 MLAK Algorithm 4 Simulation Experiment 4.1 Simulation Environment 4.2 Simulation Results and Analysis 5 Conclusion References Time Series Attention Based Transformer Neural Turing Machines for Diachronic Graph Embedding in Cyber Threat Intelligence 1 Introduction 1.1 Backgrounds 1.2 Contribution 2 Related Work 2.1 General Static and Time-Based KG Models 2.2 General Fields Dynamic KG Models 2.3 Cyber Threat Intelligence Fields KG Models 3 Method 3.1 Dynamic Graph Embedding Models 3.2 Attention Model 3.3 TSA-TNTM Model 4 Experiment and Evaluation 4.1 Dataset 4.2 Evaluation Method and Computational Setup 4.3 Benchmark Methods 4.4 Experiment Results 5 Conclusion References Reduced Order Surrogate Modelling and Latent Assimilation for Dynamical Systems 1 Introduction 2 Components of the Modular Approach 2.1 Reduced Order Modelling 2.2 Machine Learning for Surrogate Models 2.3 Data Assimilation 3 Application to Wildfires 4 Application to Computational Fluid Dynamics and Air Pollution 5 Conclusions References A GPU-Based Algorithm for Environmental Data Filtering 1 Introduction 2 Numerical Model Details 3 Parallel Approach and GPU Algorithm 4 Performance Analysis 5 Conclusion References Multipoint Meshless FD Schemes Applied to Nonlinear and Multiscale Analysis 1 Introduction 2 The Fundamentals of the New Multipoint Meshless FDM 2.1 The General Approach of the Multipoint Method – Versions 2.2 The Basic Steps of the Multipoint MFDM Analysis 3 Multipoint Approach in the Two-Scale Analysis of Heterogeneous Materials 4 The Nonlinear Analysis by the Multipoint MFDM 4.1 Geometrically Nonlinear Problems 4.2 Physically Nonlinear Problems 5 Final Remarks References Automating and Scaling Task-Level Parallelism of Tightly Coupled Models via Code Generation 1 Introduction 2 Related Work 3 Implementation 3.1 wfGenes Architecture 3.2 Task-Level Parallelism 3.3 Task Scheduling 3.4 Task Graph Scheduler 4 Use Case 4.1 Measurement Results 5 Conclusion References An Agent-Based Forced Displacement Simulation: A Case Study of the Tigray Crisis 1 Introduction 2 Simulation Development Approach Using Flee 3 Forced Displacement in Tigray 4 Results and Analysis 5 Conclusion References Practical Solving of Discrete Logarithm Problem over Prime Fields Using Quantum Annealing 1 Introduction 2 Quantum Annealing and Cryptography 3 Methods of Transformation of Discrete Logarithm Problem to the QUBO Problem 3.1 Solving Modular Equations 3.2 Transformation of Discrete Logarithm Problem to the QUBO Problem - Brutal Approach 3.3 Transformation of Discrete Logarithm Problem to the QUBO Problem Using Approximately 2n2 Logical Qubits - Efficient Approach 3.4 Mixed Approach 4 Experiments 4.1 Solving Discrete Logarithm Problem over F11 Using Efficient Approach 4.2 Solving Discrete Logarithm Problem over F23 Using Mixed Approach 4.3 Solving Discrete Logarithm Problem over F59 Using Brutal Approach 4.4 Experiments Summary 5 Further Works and Conclusion References Quantum-Classical Solution Methods for Binary Compressive Sensing Problems 1 Introduction 2 Problem Formulation 3 Solution Methods and Evaluation 3.1 L1-Minimisation 3.2 L0-Minimisation 3.3 Phase Transition Diagrams 4 Results 4.1 Impact of Penalty Parameter 4.2 Evaluation of Different QUBO Formulations 4.3 Comparison of Classical and Quantum Solvers 5 Conclusions References Studying the Cost of n-qubit Toffoli Gates 1 Introduction 2 Decomposition of n-qubit Controlled Gates 3 Implementations of the Toffoli Gate 4 Analysis and Comparison 5 Conclusions References Reducing Memory Requirements of Quantum Optimal Control 1 Introduction 2 Related Work 3 Reducing Memory Requirements 3.1 Approach 1: Checkpointing 3.2 Approach 2: Reversibility of Unitary Matrices 3.3 Approach 3: Periodic Checkpointing Plus Reversibility 3.4 Analysis of Memory Requirements 4 Implementation 5 Experimental Results 5.1 Vary Qubits 5.2 Vary Time Steps 5.3 Vary Checkpointing Period 6 Conclusion and Future Work References Quantum Annealing and Algebraic Attack on Speck Cipher 1 Introduction 2 Algebraic Attack on Speck Using Quantum Annealing 2.1 Speck Cipher 2.2 Efficient Approach to Generating Multivariate Polynomial Equations 3 Transformation of Algebraic Attacks on Speck Using Quantum Annealing 4 Conclusion References Benchmarking D-Wave Quantum Annealers: Spectral Gap Scaling of Maximum Cardinality Matching Problems 1 Introduction 2 Quantum Annealing on D-Wave 2.1 QUBO Formulation 3 Maximum Cardinality Matching 3.1 Graph Family 3.2 QUBO Formulation 4 Improved QPU Topology 5 Quantum Annealing Experiments 6 Results Overview 7 Energy Gaps 7.1 Landau-Zener Formula 7.2 Modified Graph Family 7.3 Eigenvalue Calculation 7.4 Energy Gap Results and Expected Diabatic Transition Probability 7.5 Energy Gap Analysis Limitations 8 Discussion of Future Work 9 Conclusion References Challenges and Future Directions in the Implementation of Quantum Authentication Protocols 1 Introduction 2 Related Work 3 Method 4 Results: Challenges in Implementation 4.1 Challenges with the Implementation of Quantum Authentication Protocols 4.2 Impact of Challenges with the Implementation 5 Future Study Design: Vision 6 Conclusion References Distributed Quantum Annealing on D-Wave for the Single Machine Total Weighted Tardiness Scheduling Problem 1 Introduction 2 The Specificity of Quantum Annealers 3 Single Machine Total Weighted Tardiness Problem 4 Solution Method 5 Implementation on DWave Quantum Annealer 6 Results 7 Conclusions References Efficient Constructions for Simulating Multi Controlled Quantum Gates 1 Introduction 2 Basic Concepts 2.1 Circuit Costs 2.2 Ancilla Qubits 3 Existing Methods (Prior Work) 3.1 First Ideas 3.2 Logarithmic Depth Using Parallelism 3.3 Relative Phase and Partial Gate Cancelling 3.4 Using 3-Controlled Relative Phase Toffoli Gates 4 Our Proposed Methods 4.1 One Ancilla Constructions 4.2 Depth Optimisation with Dirty Ancilla 4.3 Depth Optimisation with Clean Ancilla 5 Implementation and Comparisons 5.1 One Ancilla Constructions 5.2 Dirty Ancilla Constructions 5.3 Clean Ancilla Constructions 6 Conclusion and Future Work References Experiment-Driven Quantum Error Reduction 1 Introduction 2 Materials and Methods 3 Results 4 Conclusions References Quantum Approaches for WCET-Related Optimization Problems 1 Introduction 2 Combinatorial Optimization 2.1 Quantum Annealing 2.2 Quantum Approximate Optimization Algorithm 3 Problem Designing: From Control Flow Graphs to QUBO 3.1 Choice of the Lambda Value 4 Benchmark Metrics and Computers 4.1 Benchmark Metrics 4.2 Simulated Annealing 4.3 Quantum Annealing with D-Wave Systems 4.4 Simulation of QAOA 5 Experimental Results 5.1 IF Chains 5.2 SWITCH 5.3 Nested IFs 5.4 Real Case 6 Conclusion References A First Attempt at Cryptanalyzing a (Toy) Block Cipher by Means of QAOA 1 Introduction 2 Quantum Approximate Optimization Algorithm 3 Problem Statement 3.1 Cryptography Background 3.2 Heys Cipher 3.3 Principle of the Attack 4 Retrieving the Encryption Key from a Plaintext-Ciphertext Pair Using QAOA 4.1 Plaintext-Ciphertext Pair into Conjunctive Normal Form Formula (CNF) Conversion 4.2 Solving the MAX-SAT Problem Using QAOA 5 Experimental Results 5.1 Experimental Results on Simulators 5.2 Experimental Results on Real Quantum Hardware 6 Discussion and Perspectives References Scheduling with Multiple Dispatch Rules: A Quantum Computing Approach 1 Introduction 1.1 Motivation 2 Related Work 3 Solution Architecture 4 Problem Formulation 4.1 Example Scenario Used for Testing and Describing Our Approach 4.2 Proposed QUBO Formulation for the Problem 4.3 Variable Pruning 5 Experiments and Results 5.1 Tardiness Comparison of the Proposed Approach with Single Dispatch Rules (SDR) 5.2 Validating the Correctness of Overall Energy Function 6 Discussion 7 Conclusion and Future Work References Quantum Variational Multi-class Classifier for the Iris Data Set 1 Introduction 2 Model 2.1 Parametrized Quantum Circuits 2.2 Quantum Variational Classification 2.3 Training Parameterized Quantum Circuits 3 Results 3.1 Qiskit Simulation 3.2 IBM Quito Quantum Computer 4 Discussion 5 Conclusions References Post-error Correction for Quantum Annealing Processor Using Reinforcement Learning 1 Introduction 2 Results 3 Experiments References Adaptive Deep Learning Approximation for Allen-Cahn Equation 1 Introduction 2 Methodology 2.1 Artificial Neural Networks 2.2 Physics-Informed Neural Networks 2.3 Adaptive Collocation Strategy 3 Numerial Experiments 3.1 Allen-Cahn Equation 3.2 Short-Time Prediction 3.3 Long-Time Prediction 4 Conclusion References DNS of Mass Transfer in Bi-dispersed Bubble Swarms 1 Introduction 2 Mathematical Model and Numerical Methods 2.1 Incompressible Two-Phase Flow 2.2 Multiple Marker Unstructured CLS Method and Surface Tension 2.3 Mass Transfer 2.4 Numerical Methods 3 Numerical Experiments 3.1 3.2 Mass Transfer in a Bi-dispersed Bubble Swarm 4 Conclusions References Parallel Fluid-Structure Interaction Simulation 1 Introduction 1.1 Fluid-Structure Interaction 1.2 Numerical Scheme 2 Governing Equations and FEM Discretization 3 Parallelization of One-Field FDM Algorithm 3.1 Parallelism and Related Issues 3.2 Datatype and Computation Setup 3.3 Linear System Solver 4 Numerical Experiments 4.1 The Motion of a Disc in 2D Lid-Driven Cavity Flow 4.2 Oscillation of a Flexible Leaflet Oriented Across the Flow Direction 5 Conclusion References Characterization of Foam-Assisted Water-Gas Flow via Inverse Uncertainty Quantification Techniques 1 Introduction 2 Methods 2.1 Experimental Setup 2.2 Relative Permeabilities 2.3 STARS Model 2.4 Procedures for Parameter Estimation 2.5 Sensitivity Analysis 3 Results 3.1 Least-Squares Estimates 3.2 Foam Model Parameters' Distributions 3.3 Forward Uncertainty Quantification Results 3.4 Sensitivity Analysis 4 Conclusions References Numerical Simulation of an Infinite Array of Airfoils with a Finite Span 1 Introduction 2 Simulation 2.1 Governing Equations 2.2 Numerical Approach 2.3 Computational Model 3 Results 4 Conclusion References Simulation of Nearly Missing Helicopters Through the Computational Fluid Dynamics Approach 1 Introduction 2 Numerical Methods 2.1 CFD Solver 2.2 MCD Method 2.3 Inter-grid Communication for Multiple Moving Computational Domains 3 Validation Test 3.1 Helicopter Model 3.2 Computational Conditions 3.3 Results and Discussion 4 Simulation of Nearly Missing Helicopters 4.1 Configurations of the Test Cases 4.2 Computational Conditions 4.3 Results and Discussion 5 Conclusions References Blood Flow Simulation of Left Ventricle with Twisted Motion 1 Introduction 2 Numerical Approach 2.1 Governing Equations 2.2 The Unstructured Moving-Grid Finite-Volume Method 3 Computational Model and Conditions 3.1 Geometric Model of Left Ventricle and Aorta 3.2 Motions of Left Ventricle and Aorta 3.3 Computational Conditions 4 Computational Results 4.1 Comparison of Flows in the Left Ventricle 4.2 Shear Stress on the Wall of Aorta 5 Conclusions References Simulation of Virus-Laden Droplets Transmitted from Lung to Lung 1 Introduction 2 Numerical Approach 2.1 Flow Field and Heat Analysis 2.2 Movement of Virus-Laden Droplets 3 Simulation of Droplets in the Room and the Respiratory Tract 3.1 Numerical Model 3.2 Computational Conditions for Flow Analysis 3.3 Computational Conditions for Droplet Analysis 3.4 Results of Droplet Analysis and Discussion 4 Conclusions References A Personalized Federated Learning Algorithm for One-Class Support Vector Machine: An Application in Anomaly Detection 1 Introduction 2 Related Work 3 Personalized Federated Learning for OCSVM: FedP-OCSVM 3.1 OCSVM-FedAvg 3.2 Personalized Support Vectors 4 Experimental Results and Discussions 5 Conclusions References GBLNet: Detecting Intrusion Traffic with Multi-granularity BiLSTM 1 Introduction 2 Detection with Convolution-Girdled BiLSTM 2.1 Detail of Model 3 Experiments and Results 3.1 Dataset and Training 3.2 Results and Discussion 4 Conclusion References AMDetector: Detecting Large-Scale and Novel Android Malware Traffic with Meta-learning 1 Introduction 2 Preliminaries 2.1 Problem Definition 2.2 Traffic-Based Android Malware Classification with Meta-learning 3 DroidMal Detection Based on Traffic Image with Meta-learning 3.1 Session Image Translation 3.2 Convolutional Mapping Model with Meta-learning 3.3 Prototype-Based Classifier 3.4 Detecting Known and Novel Android Malware Traffic. 4 Experiment and Result 4.1 Experiment Preparation 4.2 Experiment Design 4.3 Classification on Large-Scale Android Malware Encrypted Traffic 4.4 Novel Android Malware Encrypted Traffic Detection 4.5 Cross-Platform Malware Detection 5 Conclusion References Accessing the Spanish Digital Network of Museum Collections Through an Interactive Web-Based Map 1 Introduction 2 Accessing Cultural Heritage Through an Interactive Map 2.1 The SeMap Project 2.2 The CER.ES Collection 2.3 Integrating the CER.ES Collection in SeMap 2.4 Example of Use 3 Usability Evaluation 4 Conclusions and Further Work References Federated Learning for Anomaly Detection in Industrial IoT-enabled Production Environment Supported by Autonomous Guided Vehicles 1 Introduction 2 Related Works 3 Federated Learning for Intelligent Manufacturing 3.1 AI on the Local Servers 3.2 AI on the On-Board IoT Devices 4 Testing Effectiveness of FL 4.1 Choosing Artificial Neural Network Model 4.2 Comparison of Classical Machine Learning and Federated Learning 5 Discussion and Conclusions References Acquisition, Storing, and Processing System for Interdisciplinary Research in Earth Sciences 1 Introduction 1.1 Motivation 1.2 Available Solutions 2 The Proposed Solution 2.1 General Ideas of the Data Acquisition and Processing System 2.2 DataHub 2.3 EnvGuard Air Quality Sensor Stations 2.4 The Conducted Air Pollution Measurements 3 Results and Discussion 3.1 Results Analysis 4 Conclusions and Future Work References A Study on the Prediction of Evapotranspiration Using Freely Available Meteorological Data 1 Introduction 2 Problem's Background 3 Dataset and Experimental Setup 4 Models for ETO Estimation: Tuning and Feature Selection 4.1 An ETO Baseline Using ML Methods and Measured Solar Radiation 4.2 ETO Estimation Using ML Methods with Limited Set of Features (Excluding Solar Radiation) 4.3 ETO Estimation Using Approximated Solar Radiation Values 5 Conclusion and Future Work A Machine Learning Algorithms Parameters References Detecting SQL Injection Vulnerabilities Using Nature-inspired Algorithms 1 Introduction 2 Related Work 3 Problem Representation 4 Algorithms 5 Experimental Results 6 Conclusion References On-Edge Aggregation Strategies over Industrial Data Produced by Autonomous Guided Vehicles 1 Introduction 2 Related Works 3 Analytical Workflow, Data Models, and Aggregation Methods 3.1 Data Models and Aggregation Approaches 4 Testing Environment 5 Performance Experiments 6 Concluding Remarks and Future Work References Performance of Explainable AI Methods in Asset Failure Prediction 1 Introduction 2 Explainable Artificial Intelligence 2.1 Explaining Black-Box Models 2.2 Glass-Box Models 2.3 Explainability Metrics 3 Asset Failure Prediction 3.1 C-MAPSS Data Set 3.2 Failure Prediction 3.3 Failure Explanation 4 Results and Discussion 5 Conclusion and Future Works References Streaming Detection of Significant Delay Changes in Public Transport Systems 1 Introduction 2 Related Works 2.1 Quantifying Delays and Change Detectors 2.2 Analysing Multi-modal Connections and the Impact of Perturbations on Travel Times 3 Architecture of Delay Detection and Modelling System 4 Streaming Delay Change Detection 5 Results 5.1 Reference Data 5.2 Change Detections 5.3 Peak Hours Analysis 6 Conclusions and Future Works References Learning I/O Variables from Scientific Software's User Manuals 1 Introduction 2 Background 3 Classifying Variables via Machine Learning 4 Experimental Evaluation 4.1 Research Questions 4.2 Subject Systems 4.3 Results and Analysis 4.4 Threats to Validity 5 Conclusions References Distributed Architecture for Highly Scalable Urban Traffic Simulation 1 Introduction 2 Scalable Traffic Simulations 3 The SMARTS System 4 New Communication Architecture 5 Evaluation 5.1 Constant Number of Cars 5.2 Growing Number of Cars 6 Design Guidelines for Scalable Spacial Simulations 7 Conclusions and Further Work References Automated and Manual Testing in the Development of the Research Software RCE 1 Introduction 2 Background 3 Development Process 4 Testing 4.1 Automated Tests 4.2 Manual Tests 5 Releasing 6 Conclusion and Future Work References Digging Deeper into the State of the Practice for Domain Specific Research Software 1 Introduction 2 Methodology 2.1 How to Identify the Domain? 2.2 How to Identify Candidate Software from the Domain? 2.3 How to Filter the Software List? 2.4 Quantitative Measures 2.5 Interview Developers 2.6 Interaction with Domain Expert 2.7 Domain Analysis 3 Measuring and Ranking the LBM Domain 4 Comparison to Community Ranking 5 Comparison of Artifacts to Other Research Software 6 Comparison of Tools to Other Research Software 7 Comparison of Processes to Other Research Software 8 Developer Pain Points 9 Threats to Validity 10 Concluding Remarks References A Survey on Sustainable Software Ecosystems to Support Experimental and Observational Science at Oak Ridge National Laboratory 1 Introduction 2 Background 3 Survey Overview 3.1 Survey Motivation 3.2 Survey Design 3.3 Selection of Participants 4 Survey Results 4.1 Background Information 4.2 Project Demographics 4.3 Project Technical Approach 4.4 Skills and Training 4.5 Preparing for the Future 5 Conclusions References Derivation and Computation of Integro-Riccati Equation for Ergodic Control of Infinite-Dimensional SDE 1 Introduction 2 Control Problem 2.1 Uncontrolled System 2.2 Controlled System 2.3 Integro-Riccati Equation 2.4 Remarks on the Optimality 3 Computation with Actual Data 3.1 Computational Conditions 3.2 Computational Results 4 Conclusion References Acceleration of Interval PIES Computations Using Interpolation of Kernels with Uncertainly Defined Boundary Shape 1 Introduction 2 IPIES with Boundary Shape Uncertainty 3 Interval Degenerated Kernels 3.1 Generalized Lagrange Polynomials 3.2 Numerical Solution 4 Tests of the Proposed Strategy 4.1 Elementary Example with an Analytical Solution 4.2 Example of a Problem with a Complex Shape (40 Segments) 5 Conclusions References Uncertainty Occurrence in Projects and Its Consequences for Project Management 1 Introduction 2 Research Methods 2.1 Measurement of Knowledge Available to the Project Team 2.2 Questionnaire-Based Survey 3 Results of Basic Statistical Analyses Related to Project Start (Parts I and II of the Questionnaire) 3.1 Differences of Opinion Among the Project Team Regarding Customer Expectations and Expected Project Result (Part I) 3.2 Level of Project Team Knowledge Concerning Individual Project Parameters (Part II) 4 Differences Between the Knowledge in the Project Planning Stage and After Project Completion (Parts III and IV of the Questionnaire) 4.1 Differences in Customer Expectations Expressed Before the Project Start and After Project Completion (Part III) 4.2 Differences Between Selected Project Plan Details and the Reality (Part IV) 5 Discussion 6 Conclusions References Getting Formal Ontologies Closer to Final Users Through Knowledge Graph Visualization: Interpretation and Misinterpretation 1 Introduction 2 Related Work 3 Ontology-Based Knowledge Graph Visualizer (OB-KGV) 3.1 Visualization of Semantic Structures 3.2 Customized Views 3.3 Query and Search 4 Ontology-Based Knowledge Graph Interpretation: A User Perspective 4.1 Expertise in the Domain 4.2 Technical Skills 5 Conclusions and Future Work References Towards Mitigating the Eye Gaze Tracking Uncertainty in Virtual Reality 1 Introduction 2 Key Contributions 3 Related Work 4 Facing the Eye Gaze Tracking Uncertainty in Virtual Reality 5 Evaluating and Mitigating the Uncertainty of the Vive Pro Eye Sensor Data 5.1 Evaluating the Uncertainty 5.2 VR HMD Frame of Reference 5.3 Quaternion-Based Uncertainty Representation and Mitigation 6 Implementation of Uncertainty Mitigation Algorithm in VRSciVi 7 Discussion 8 Conclusion References On a Nonlinear Approach to Uncertainty Quantification on the Ensemble of Numerical Solutions 1 Introduction 2 The Linear Statement for Approximation Error Estimation Using the Distances Between Numerical Solutions 3 The Nonlinear Statement for the Estimation of the Refined Solution and the Approximation Error on the Ensemble of Numerical Solutions 4 The Minimization Algorithm 5 The Test Problem 6 Numerical Results 7 Discussion 8 Conclusion References On the Use of Sobol' Sequence for High Dimensional Simulation 1 Introduction 2 Optimisation Framework 3 Optimisation Algorithm 4 Numerical Results 5 Conclusions and Directions for Future Work References MiDaS: Extract Golden Results from Knowledge Discovery Even over Incomplete Databases 1 Introduction 2 Background and Related Work 2.1 Missing Data and Treatments 2.2 Content-Based Retrieval Systems 3 The MiDaS Framework 3.1 The Missing Data Treatment Layer 3.2 The Query Engine Layer 4 Experimental Analysis 4.1 Datasets and Implementation Specifications 4.2 MiDaS Performance 4.3 MiDaS for Knowledge Discovery on Databases 5 Conclusions References Computational Science 101 - Towards a Computationally Informed Citizenry 1 Overview of CSCI 1280 1.1 Contribution 2 Patterns 3 Bricklayer's Percolation Library 4 Bricklayer's Infectious Disease Library 5 Conclusion References Cloud as a Platform for W-Machine Didactic Computer Simulator 1 Introduction 2 Background 3 Related Works 4 W-Machine on the Cloud Environment 5 Experimental Evaluation of Alternative Architectures 5.1 Performance Metrics 5.2 Results 6 Results Summary and Concluding Remarks References Snowflake Generation 1 Introduction 2 Fundamentals of Programming 3 The Assignment 3.1 Generating Snowflakes 3.2 Scaffolding 3.3 Reflection 3.4 Assessment 3.5 Academic Integrity 4 Results 4.1 Variations on a Theme 4.2 Reflections and Reactions 5 Conclusion References Extensible, Cloud-Based Open Environment for Remote Classes Reuse 1 Introduction 2 Related Work 3 Sharing and Reusing Online Sessions 3.1 Actors and Requirements 3.2 Analysis of Requirements 3.3 Architecure and Implementation Overview 4 Proof of Concept Evaluation 5 Conclusions and Future Work References Supporting Education in Advanced Mathematical Analysis Problems by Symbolic Computational Techniques Using Computer Algebra System 1 Introduction 2 Example 1: Convex Programming 3 The Didactic Experiment with Example 1 4 Example 2: Calculating Complex Integrals with Mathematica 5 Summary and Conclusions References TEDA: A Computational Toolbox for Teaching Ensemble Based Data Assimilation 1 Introduction 2 Preliminaries 2.1 Ensemble-Based Data Assimilation 2.2 Numerical Models 3 Teaching Data Assimilation (TEDA) Python Toolbox 4 Demonstration of the TEDA Toolbox 5 Conclusions and Future Research References Forward Uncertainty Quantification and Sensitivity Analysis of the Holzapfel-Ogden Model for the Left Ventricular Passive Mechanics 1 Introduction 2 Models and Methods 2.1 Cardiac Mechanics 2.2 Left Ventricular Geometry and Fiber Orientation 2.3 Numerical Solution 2.4 Polynomial Chaos Expansion Surrogate Models 2.5 Sensitivity Analysis via Sobol 2.6 Random Fiber Field 2.7 Quantities of Interest 3 Implementation and Experiments 3.1 Implementation 3.2 Numerical Experiments 4 Results 4.1 Karhunen-Loeve Expansion 4.2 Polynomial Expansion Emulator 4.3 Forward Uncertainty Quantification 4.4 Sensitivity Analysis 5 Conclusions 5.1 Limitations and Future Works References Automated Variance-Based Sensitivity Analysis of a Heterogeneous Atomistic-Continuum System 1 Introduction 2 Computational Approach 3 Results 4 Conclusion References Author Index The four-volume set LNCS 13350, 13351, 13352, and 13353 constitutes the proceedings of the 22ndt International Conference on Computational Science, ICCS 2022, held in London, UK, in June 2022.* The total of 175 full papers and 78 short papers presented in this book set were carefully reviewed and selected from 474 submissions. 169 full and 36 short papers were accepted to the main track; 120 full and 42 short papers were accepted to the workshops/ thematic tracks. *The conference was held in a hybrid format