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1 Introduction to Mechanistic Data Science |
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1 | (32) |
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1.1 A Brief History of Science: From Reason to Empiricism to Mechanistic Principles and Data Science |
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3 | (1) |
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1.2 Galileo's Study of Falling Objects |
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4 | (1) |
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1.3 Newton's Laws of Motion |
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4 | (2) |
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1.4 Science, Technology, Engineering and Mathematics (STEM) |
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6 | (1) |
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1.5 Data Science Revolution |
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7 | (1) |
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1.6 Data Science for Fatigue Fracture Analysis |
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8 | (2) |
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1.7 Data Science for Materials Design: "What's in the Cake Mix" |
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10 | (2) |
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1.8 From Everyday Applications to Materials Design |
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12 | (3) |
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1.8.1 Example: Tire Tread Material Design Using the MDS Framework |
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13 | (1) |
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1.8.2 Gold and Gold Alloys for Wedding Cakes and Wedding Rings |
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14 | (1) |
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1.9 Twenty-First Century Data Science |
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15 | (1) |
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15 | (1) |
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1.9.2 3D Printing: From Gold Jewelry to Customized Implants |
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15 | (1) |
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1.10 Outline of Mechanistic Data Science Methodology |
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16 | (3) |
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1.11 Examples Describing the Three Types of MDS Problems |
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19 | (14) |
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1.11.1 Determining Price of a Diamond Based on Features (Pure Data Science: Type 1) |
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19 | (3) |
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22 | (3) |
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1.11.3 Predicting Patient-Specific Scoliosis Curvature (Mixed Data Science and Surrogate: Type 2) |
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25 | (3) |
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1.11.4 Identifying Important Dimensions and Damping in a Mass-Spring System (Type 3 Problem) |
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28 | (3) |
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31 | (2) |
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2 Multimodal Data Generation and Collection |
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33 | (16) |
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2.1 Data as the Central Piece for Science |
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34 | (3) |
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2.2 Data Formats and Sources |
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37 | (3) |
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2.3 Data Science Datasets |
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40 | (1) |
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2.4 Example: Diamond Data for Feature-Based Pricing |
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41 | (2) |
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2.5 Example: Data Collection from Indentation Testing |
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43 | (4) |
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2.6 Summary of Multimodal Data Generation and Collection |
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47 | (2) |
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47 | (2) |
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3 Optimization and Regression |
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49 | (40) |
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3.1 Least Squares Optimization |
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49 | (23) |
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50 | (2) |
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52 | (2) |
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3.1.3 Method of Least Squares Optimization for Linear Regression |
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54 | (1) |
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3.1.4 Coefficient of Determination (r2) to Describe Goodness of Fit |
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54 | (1) |
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3.1.5 Multidimensional Derivatives: Computing Gradients to Find Slope or Rate of Change |
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55 | (3) |
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3.1.6 Gradient Descent (Advanced Topic: Necessary for Data Science) |
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58 | (2) |
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3.1.7 Example: "Moneyball": Data Science for Optimizing a Baseball Team Roster |
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60 | (9) |
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3.1.8 Example: Indentation for Material Hardness and Strength |
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69 | (1) |
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3.1.9 Example: Vickers Hardness for Metallic Glasses and Ceramics |
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70 | (2) |
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72 | (6) |
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3.2.1 Piecewise Linear Regression |
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72 | (2) |
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74 | (1) |
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3.2.3 Moving Least Squares (MLS) Regression |
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75 | (1) |
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3.2.4 Example: Bacteria Growth |
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76 | (2) |
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3.3 Regularization and Cross-Validation (Advanced Topic) |
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78 | (8) |
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3.3.1 Review of the Lp-Norm |
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80 | (1) |
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3.3.2 L1-Norm Regularized Regression |
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81 | (1) |
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3.3.3 L2-Norm Regularized Regression |
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82 | (1) |
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3.3.4 K-Fold Cross-Validation |
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83 | (3) |
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3.4 Equations for Moving Least Squares (MLS) Approximation (Advanced Topic) |
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86 | (3) |
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87 | (2) |
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4 Extraction of Mechanistic Features |
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89 | (42) |
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89 | (1) |
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90 | (1) |
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4.3 Normalization of Feature Data |
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90 | (2) |
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4.3.1 Example: Home Buying |
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91 | (1) |
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92 | (4) |
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4.4.1 Example: Determining a New Store Location Using Coordinate Transformation Techniques |
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92 | (4) |
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4.5 Projection of Images (3D to 2D) and Image Processing |
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96 | (1) |
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4.6 Review of 3D Vector Geometry |
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97 | (1) |
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4.7 Problem Definition and Solution |
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98 | (1) |
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4.8 Equation of Line in 3D and the Least Square Method |
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99 | (4) |
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101 | (2) |
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4.9 Applications: Medical Imaging |
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103 | (2) |
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4.9.1 X-ray (Radiography) |
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103 | (1) |
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4.9.2 Computed Tomography (CT) |
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104 | (1) |
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4.9.3 Magnetic Resonance Imaging (MRI) |
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105 | (1) |
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105 | (1) |
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4.10 Extracting Geometry Features Using 2D X-ray Images |
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105 | (8) |
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4.10.1 Coordinate Systems |
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107 | (1) |
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108 | (1) |
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4.10.3 Vertebra Regions [ Advanced Topic] |
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108 | (1) |
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4.10.4 Calculating the Angle Between Two Vectors |
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109 | (1) |
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4.10.5 Feature Definitions: Global Angles |
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110 | (3) |
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4.11 Signals and Signal Processing Using Fourier Transform and Short Term Fourier Transforms |
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113 | (1) |
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4.12 Fourier Transform (FT) |
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114 | (9) |
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4.12.1 Example: Analysis of Separate and Combined Signals |
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116 | (3) |
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4.12.2 Example: Analysis of Sound Waves from a Piano |
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119 | (4) |
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4.13 Short Time Fourier Transform (STFT) |
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123 | (8) |
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128 | (3) |
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5 Knowledge-Driven Dimension Reduction and Reduced Order Surrogate Models |
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131 | (40) |
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132 | (1) |
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5.2 Dimension Reduction by Clustering |
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132 | (14) |
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5.2.1 Clustering in Real Life: Jogging |
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132 | (1) |
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5.2.2 Clustering for Diamond Price: From Jenks Natural Breaks to K-Means Clustering |
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133 | (5) |
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5.2.3 K-Means Clustering for High-Dimensional Data |
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138 | (1) |
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5.2.4 Determining the Number of Clusters |
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139 | (2) |
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5.2.5 Limitations of K-Means Clustering |
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141 | (1) |
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5.2.6 Self-Organizing Map (SOM) [ Advanced Topic] |
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141 | (5) |
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5.3 Reduced Order Surrogate Models |
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146 | (21) |
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5.3.1 A First Look at Principal Component Analysis (PCA) |
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146 | (3) |
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5.3.2 Understanding PCA by Singular Value Decomposition (SVD) [ Advanced Topic] |
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149 | (6) |
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5.3.3 Further Understanding of Principal Component Analysis [ Advanced Topic] |
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155 | (5) |
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5.3.4 Proper Generalized Decomposition (PGD) [ Advanced Topic] |
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160 | (7) |
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5.4 Eigenvalues and Eigenvectors [ Advanced Topic] |
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167 | (1) |
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5.5 Mathematical Relation Between SVD and PCA [ Advanced Topic] |
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168 | (3) |
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169 | (2) |
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6 Deep Learning for Regression and Classification |
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171 | (44) |
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171 | (4) |
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6.1.1 Artificial Neural Networks |
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174 | (1) |
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6.1.2 A Brief History of Deep Learning and Neural Networks |
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174 | (1) |
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6.2 Feed Forward Neural Network (FFNN) |
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175 | (14) |
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6.2.1 A First Look at FFNN |
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175 | (8) |
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6.2.2 General Notations for FFNN [ Advanced Topic] |
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183 | (2) |
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6.2.3 Apply FFNN to Diamond Price Regression |
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185 | (4) |
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6.3 Convolutional Neural Network (CNN) |
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189 | (16) |
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6.3.1 A First Look at CNN |
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189 | (4) |
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6.3.2 Building Blocks in CNN |
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193 | (7) |
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6.3.3 General Notations for CNN [ Advanced Topic] |
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200 | (1) |
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6.3.4 COVID-19 Detection from X-Ray Images of Patients [ Advanced Topic] |
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201 | (4) |
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6.4 Musical Instrument Sound Conversion Using Mechanistic Data Science |
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205 | (6) |
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6.4.1 Problem Statement and Solutions |
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205 | (3) |
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6.4.2 Mechanistic Data Science Model for Changing Instrumental Music [ Advanced Topic] |
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208 | (3) |
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211 | (4) |
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213 | (2) |
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215 | (52) |
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215 | (1) |
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7.2 Piano to Guitar Musical Note Conversion (Type 3 General) |
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216 | (22) |
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7.2.1 Mechanistic Data Science with a Spring Mass Damper System |
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216 | (12) |
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7.2.2 Principal Component Analysis for Musical Note Conversion (Type 1 Advanced) |
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228 | (1) |
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7.2.3 Data Preprocessing (Normalization and Scaling) |
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228 | (2) |
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7.2.4 Compute the Eigenvalues and Eigenvectors for the Covariance Matrix of Bp and Bg |
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230 | (1) |
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7.2.5 Build a Reduced-Order Model |
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230 | (1) |
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7.2.6 Inverse Transform Magnitudes for all PCs to a Sound |
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231 | (1) |
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7.2.7 Cumulative Energy for Each PC |
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231 | (1) |
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7.2.8 Python Code for Step 1 and Step 2 |
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232 | (1) |
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7.2.9 Training a Fully-Connected FFNN |
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233 | (1) |
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7.2.10 Code Explanation for Step 3 |
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234 | (1) |
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7.2.11 Generate a Single Guitar |
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235 | (1) |
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7.2.12 Python Code for Step 4 |
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236 | (1) |
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237 | (1) |
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7.2.14 Code Explanation for Step 5 |
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237 | (1) |
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7.2.15 Application for Forensic Engineering |
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237 | (1) |
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7.3 Feature-Based Diamond Pricing (Type 1 General) |
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238 | (1) |
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7.4 Additive Manufacturing (Type 1 Advanced) |
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238 | (5) |
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7.5 Spine Growth Prediction (Type 2 Advanced) |
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243 | (4) |
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7.6 Design of Polymer Matrix Composite Materials (Type 3 Advanced) |
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247 | (5) |
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7.7 Indentation Analysis for Materials Property Prediction (Type 2 Advanced) |
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252 | (5) |
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7.8 Early Warning of Rainfall Induced Landslides (Type 3 Advanced) |
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257 | (5) |
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7.9 Potential Projects Using MDS |
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262 | (5) |
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7.9.1 Next Generation Tire Materials Design |
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262 | (2) |
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7.9.2 Antimicrobial Surface Design |
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264 | (1) |
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7.9.3 Fault Detection Using Wavelet-CNN |
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265 | (1) |
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265 | (2) |
Index |
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267 | |