Preface |
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xiii | |
About the Author |
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xvii | |
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Chapter 1 Artificial Intelligence and Dynamical Systems |
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3 | (28) |
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1.1 Artificial Intelligence For Model Discovery |
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3 | (1) |
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1.2 Primer On Deep Learning |
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4 | (4) |
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1.3 Neural Networks As Models For Dynamical Systems |
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8 | (1) |
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1.4 Deep Learning With Biomedical Applications |
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9 | (1) |
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1.5 Convolutional Neural Networks In Drug Design |
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10 | (2) |
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1.6 Deep Learning For Dynamic Targets In Biomedicine |
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12 | (1) |
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1.7 Deep Learning Has Solved One Of The Protein Folding Problems |
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13 | (1) |
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1.8 Ai-Empowered Metamodel Discovery For Hierarchical Dynamical Systems: Adiabatic Regimes, Latent Manifolds, Quotient Spaces |
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14 | (7) |
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1.9 Metadynamics For Metamodels: Mapping Out The Quotient Manifold With A Dedicated Autoencoder |
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21 | (5) |
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1.10 Metamodels for the Digital Mind |
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26 | (5) |
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27 | (4) |
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Chapter 2 Topological Methods for Metamodel Discovery with Artificial Intelligence |
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31 | (32) |
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2.1 Ai-Based Metamodel Discovery For Hierarchically Complex Dynamical Systems |
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31 | (3) |
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2.2 Autoencoders Of Latent Coordinates In Dynamical Systems |
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34 | (3) |
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2.3 Deep Learning Scheme To Discover Underlying Differential Equations From Time Series |
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37 | (3) |
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2.4 Autoencoders For Molecular Dynamics Of Biological Matter |
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40 | (5) |
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2.5 Topological Dynamics On Latent Manifolds: Metamodels Without Equations |
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45 | (4) |
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2.6 Unraveling Topological Quotient Spaces For Dynamical Systems Metamodeling |
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49 | (3) |
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2.7 Learning To Encode And Propagate Topological Dynamics: Metamodel For Ubiquitin Folding In The Cell |
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52 | (3) |
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2.8 Metamodels For Hierarchical Dynamics Discovered Through Autoencoder Batteries |
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55 | (8) |
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59 | (4) |
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Chapter 3 Artificial Intelligence Reverse-Engineers In Vivo Protein Folding |
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63 | (34) |
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3.1 Deconstructing In Vivo Protein Folding: Topological Metamodel Created By Transformer Technology |
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63 | (3) |
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3.2 Empowering Molecular Dynamics With Transformer Technology |
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66 | (6) |
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3.2.1 Propagating the Topological Dynamics in Textual Form with a Transformer Neural Network |
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66 | (4) |
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3.2.2 Topological Metamodeling Requires Two Autoencoders and a Transformer |
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70 | (2) |
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3.3 Protein Folding As A Textually Encodable Dynamical Metamodel: Mathematical Validation |
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72 | (3) |
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3.4 Injecting In Vivo Reality Into The Transformer-Generated Metamodel |
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75 | (1) |
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3.5 Propagating In Vitro Folding Pathways |
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76 | (2) |
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3.6 Atomistic Md Simulation Of An In Vivo Folding Setting |
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78 | (1) |
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3.7 Propagation Of In Vivo Folding Trajectories Using Transformer Technology |
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79 | (1) |
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3.8 The Al Platform To Generate In Vivo Folding Pathways |
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80 | (2) |
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3.9 Reverse-Engineering The Expeditious In Vivo Context I: Iterative Annealing In The Apo Groel Chamber |
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82 | (2) |
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3.10 Reverse-Engineering The In Vivo Context II: Groel Chamber In The (Atp)7 State |
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84 | (4) |
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3.11 In Vivo Pathways For Protein Folding: Ai Metamodels Live Up To The Challenge |
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88 | (2) |
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3.12 Metamodels With Implicit Content: Co-Translational Protein Folding |
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90 | (7) |
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94 | (3) |
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Chapter 4 The Drug-Induced Protein Folding Problem: Metamodels for Dynamic Targeting |
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97 | (22) |
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4.1 Protein Structure Is A Dynamic Object: Lesson For Targeted Therapy |
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97 | (2) |
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4.2 Deep Learning To Target Moving Targets In Molecular Therapy |
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99 | (3) |
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4.3 Ai-Based Metamodel To Infer Drug-Induced Folds In Targeted Proteins |
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102 | (6) |
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4.4 Learning To Induce Folds In Targeted Proteins |
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108 | (1) |
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4.5 Experimental Corroboration Of The Dynamic Metamodel For Drug-Induced Folding |
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108 | (3) |
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4.6 A Topological Metamodel Of The Induced Folding Dynamics Corroborates The Experimentally Validated Structural Adaptation In The Drug/Target Wbz_4/Jnk Complex |
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111 | (5) |
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4.7 Ai Teaches Drug Designers How To Target Proteins By Exploiting A Dynamic Metamodel Of Induced Folding |
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116 | (3) |
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116 | (3) |
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Chapter 5 Targeting Protein Structure in the Absence of Structure: Metamodels for Biomedical Applications |
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119 | (26) |
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5.1 Therapeutic Disruption Of Dysfunctional Protein Complexes In The Absence Of Reported Structure |
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119 | (4) |
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5.2 Al Guides The Therapeutic Disruption Of A Dysfunctional Complex With No Reported Structure |
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123 | (1) |
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5.3 Regulatory Sites In The Epistructure Of A Protein Target |
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124 | (2) |
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5.4 Ai-Based Metamodel To Infer Regulation-Modulated Epitopes In The Absence Of Target Structure |
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126 | (2) |
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5.5 Structural Metamodel For Therapeutic Disruption Of Dysfunctional Deregulated Protein Complexes In The Absence Of Structure |
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128 | (5) |
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5.6 Experimentally Validating The Dynamic Metamodel Of The Target Protein Structure By Developing A Molecular Targeted Therapy For Heart Failure |
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133 | (3) |
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5.7 The Dynamic Metamodel Of Protein Structure Enables Discovery Of Biological Cooperativity |
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136 | (9) |
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141 | (4) |
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Chapter 6 Autoencoder as Quantum Metamodel of Gravity: Toward an AI-Based Cosmological Technology |
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145 | (18) |
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6.1 The Quest For Quantum Gravity |
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145 | (5) |
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6.2 Quantum Gravity Autoencoder For A Neural Network With Emergent Gravity |
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150 | (4) |
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6.3 Relativistic Strings-Turned Quanta In Machine Learning Physics |
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154 | (1) |
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6.4 The Universe As A Variational Autoencoder |
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155 | (2) |
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6.5 Quantum Gravity Autoencoders And The Origin Of The Universe |
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157 | (3) |
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6.6 Technologies For Cosmological Manipulation Leveraging Quantum Gravity Autoencoders |
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160 | (3) |
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161 | (2) |
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163 | (12) |
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E.1 Topological Metamodels Breed Computational Intuition |
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163 | (2) |
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E.2 Ai Probes An Equivalence Between "Wormhole" And Quantum Entanglement |
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165 | (2) |
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E.3 Emergent Space-Time Topology Created By Entangling Quantum-Gravity Autoencoders |
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167 | (1) |
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E.4 Metamodel Discovery With Extra Dimensions And Lost Symmetries: Artificial Intelligence Deconstructs Quantum Mechanics |
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168 | (7) |
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174 | (1) |
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175 | (30) |
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A.1 Code For Dehydron Identification |
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175 | (8) |
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A.2 Machine Learning Method To Infer Structure Wrapping And Dehydron Pattern In The Absence Of Protein Structure: The Twilighter |
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183 | (5) |
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A.3 Al Platform To Empower Molecular Dynamics |
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188 | (13) |
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A.3.1 Dynamical Feature Extraction for AI-Empowered Protein Folding Simulations |
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189 | (4) |
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A.3.2 How to Extend Molecular Dynamics Simulations |
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193 | (2) |
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A.3.3 AI-Generated Protein Folding Pathways |
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195 | (6) |
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A.3.4 Molecular Dynamics Run from an Al Platform |
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201 | (1) |
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A.4 Protein Folding Pathway Generated By Transformer-Engendered Topological Dynamics |
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201 | (1) |
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A.5 Endowing The Quantum Mechanics Autoencoder With Emergent Gravity |
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202 | (2) |
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A.6 Incorporating An Extra Dimension In Space-Time Through An Autoencoder Of The Standard Model: Decoding The Higgs Mechanism |
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204 | (1) |
References |
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205 | (2) |
Index |
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207 | |