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材料の記述⼦ 材料の性能
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http://www.sciencemag.org/news/2018/05/ai-researchers-allege-machine-
learning-alchemy














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🤔
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http://phenomena.nationalgeographic.com/2015/09/11/nick-cage-movies-
vs-drownings-and-more-strange-but-spurious-correlations/
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SAlib https://salib.readthedocs.io/en/latest/
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機械学習
第⼀原理計算
(かかる時間の問題を除けば)機械学習を使うかどうかと無関係!
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• この薬を飲めば私の病気は治るの?
• この健康⾷品⾷べていれば⻑⽣きできるの?
• この化粧品つけていれば少しでも若くいられるの?
• この⾷品たべればダイエットできるの?
• 原⼦⼒は安全なの?
科学というものには、本来限界があって、広い意味での再現可能の現象を、
⾃然界から抜き出して、それを統計学的に究明していく、そういう性質の

学問なのである。「科学の⽅法 (中⾕宇吉郎)」




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(2018.5) 機械学習は真の発見に寄与できるのか?

  • 1.
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  • 4.
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  • 11. 😳
  • 14.
  • 15.
  • 19. 
 
 
 
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sha1_base64="BLB8K/n7QYAsE73zsDEUiBvCSV8=">AAAB/XicbVDLSgMxFL2pr1pfVZdugkVwVWZE0GXRjcsK9gHtUDJppo1NMkOSEctQ/AW3uncnbv0Wt36JaTsLbT1w4XDOvZzLCRPBjfW8L1RYWV1b3yhulra2d3b3yvsHTROnmrIGjUWs2yExTHDFGpZbwdqJZkSGgrXC0fXUbz0wbXis7uw4YYEkA8UjTol1UrMbyuxx0itXvKo3A14mfk4qkKPeK393+zFNJVOWCmJMx/cSG2REW04Fm5S6qWEJoSMyYB1HFZHMBNns2wk+cUofR7F2oyyeqb8vMiKNGcvQbUpih2bRm4r/eqFcSLbRZZBxlaSWKToPjlKBbYynVeA+14xaMXaEUM3d75gOiSbUusJKrhR/sYJl0jyr+l7Vvz2v1K7yeopwBMdwCj5cQA1uoA4NoHAPz/ACr+gJvaF39DFfLaD85hD+AH3+ADzJlfc=</latexit><latexit sha1_base64="BLB8K/n7QYAsE73zsDEUiBvCSV8=">AAAB/XicbVDLSgMxFL2pr1pfVZdugkVwVWZE0GXRjcsK9gHtUDJppo1NMkOSEctQ/AW3uncnbv0Wt36JaTsLbT1w4XDOvZzLCRPBjfW8L1RYWV1b3yhulra2d3b3yvsHTROnmrIGjUWs2yExTHDFGpZbwdqJZkSGgrXC0fXUbz0wbXis7uw4YYEkA8UjTol1UrMbyuxx0itXvKo3A14mfk4qkKPeK393+zFNJVOWCmJMx/cSG2REW04Fm5S6qWEJoSMyYB1HFZHMBNns2wk+cUofR7F2oyyeqb8vMiKNGcvQbUpih2bRm4r/eqFcSLbRZZBxlaSWKToPjlKBbYynVeA+14xaMXaEUM3d75gOiSbUusJKrhR/sYJl0jyr+l7Vvz2v1K7yeopwBMdwCj5cQA1uoA4NoHAPz/ACr+gJvaF39DFfLaD85hD+AH3+ADzJlfc=</latexit><latexit sha1_base64="BLB8K/n7QYAsE73zsDEUiBvCSV8=">AAAB/XicbVDLSgMxFL2pr1pfVZdugkVwVWZE0GXRjcsK9gHtUDJppo1NMkOSEctQ/AW3uncnbv0Wt36JaTsLbT1w4XDOvZzLCRPBjfW8L1RYWV1b3yhulra2d3b3yvsHTROnmrIGjUWs2yExTHDFGpZbwdqJZkSGgrXC0fXUbz0wbXis7uw4YYEkA8UjTol1UrMbyuxx0itXvKo3A14mfk4qkKPeK393+zFNJVOWCmJMx/cSG2REW04Fm5S6qWEJoSMyYB1HFZHMBNns2wk+cUofR7F2oyyeqb8vMiKNGcvQbUpih2bRm4r/eqFcSLbRZZBxlaSWKToPjlKBbYynVeA+14xaMXaEUM3d75gOiSbUusJKrhR/sYJl0jyr+l7Vvz2v1K7yeopwBMdwCj5cQA1uoA4NoHAPz/ACr+gJvaF39DFfLaD85hD+AH3+ADzJlfc=</latexit>材料の記述⼦ 材料の性能 ⼊⼒ 出⼒x<latexit sha1_base64="BLB8K/n7QYAsE73zsDEUiBvCSV8=">AAAB/XicbVDLSgMxFL2pr1pfVZdugkVwVWZE0GXRjcsK9gHtUDJppo1NMkOSEctQ/AW3uncnbv0Wt36JaTsLbT1w4XDOvZzLCRPBjfW8L1RYWV1b3yhulra2d3b3yvsHTROnmrIGjUWs2yExTHDFGpZbwdqJZkSGgrXC0fXUbz0wbXis7uw4YYEkA8UjTol1UrMbyuxx0itXvKo3A14mfk4qkKPeK393+zFNJVOWCmJMx/cSG2REW04Fm5S6qWEJoSMyYB1HFZHMBNns2wk+cUofR7F2oyyeqb8vMiKNGcvQbUpih2bRm4r/eqFcSLbRZZBxlaSWKToPjlKBbYynVeA+14xaMXaEUM3d75gOiSbUusJKrhR/sYJl0jyr+l7Vvz2v1K7yeopwBMdwCj5cQA1uoA4NoHAPz/ACr+gJvaF39DFfLaD85hD+AH3+ADzJlfc=</latexit><latexit sha1_base64="BLB8K/n7QYAsE73zsDEUiBvCSV8=">AAAB/XicbVDLSgMxFL2pr1pfVZdugkVwVWZE0GXRjcsK9gHtUDJppo1NMkOSEctQ/AW3uncnbv0Wt36JaTsLbT1w4XDOvZzLCRPBjfW8L1RYWV1b3yhulra2d3b3yvsHTROnmrIGjUWs2yExTHDFGpZbwdqJZkSGgrXC0fXUbz0wbXis7uw4YYEkA8UjTol1UrMbyuxx0itXvKo3A14mfk4qkKPeK393+zFNJVOWCmJMx/cSG2REW04Fm5S6qWEJoSMyYB1HFZHMBNns2wk+cUofR7F2oyyeqb8vMiKNGcvQbUpih2bRm4r/eqFcSLbRZZBxlaSWKToPjlKBbYynVeA+14xaMXaEUM3d75gOiSbUusJKrhR/sYJl0jyr+l7Vvz2v1K7yeopwBMdwCj5cQA1uoA4NoHAPz/ACr+gJvaF39DFfLaD85hD+AH3+ADzJlfc=</latexit><latexit sha1_base64="BLB8K/n7QYAsE73zsDEUiBvCSV8=">AAAB/XicbVDLSgMxFL2pr1pfVZdugkVwVWZE0GXRjcsK9gHtUDJppo1NMkOSEctQ/AW3uncnbv0Wt36JaTsLbT1w4XDOvZzLCRPBjfW8L1RYWV1b3yhulra2d3b3yvsHTROnmrIGjUWs2yExTHDFGpZbwdqJZkSGgrXC0fXUbz0wbXis7uw4YYEkA8UjTol1UrMbyuxx0itXvKo3A14mfk4qkKPeK393+zFNJVOWCmJMx/cSG2REW04Fm5S6qWEJoSMyYB1HFZHMBNns2wk+cUofR7F2oyyeqb8vMiKNGcvQbUpih2bRm4r/eqFcSLbRZZBxlaSWKToPjlKBbYynVeA+14xaMXaEUM3d75gOiSbUusJKrhR/sYJl0jyr+l7Vvz2v1K7yeopwBMdwCj5cQA1uoA4NoHAPz/ACr+gJvaF39DFfLaD85hD+AH3+ADzJlfc=</latexit><latexit sha1_base64="BLB8K/n7QYAsE73zsDEUiBvCSV8=">AAAB/XicbVDLSgMxFL2pr1pfVZdugkVwVWZE0GXRjcsK9gHtUDJppo1NMkOSEctQ/AW3uncnbv0Wt36JaTsLbT1w4XDOvZzLCRPBjfW8L1RYWV1b3yhulra2d3b3yvsHTROnmrIGjUWs2yExTHDFGpZbwdqJZkSGgrXC0fXUbz0wbXis7uw4YYEkA8UjTol1UrMbyuxx0itXvKo3A14mfk4qkKPeK393+zFNJVOWCmJMx/cSG2REW04Fm5S6qWEJoSMyYB1HFZHMBNns2wk+cUofR7F2oyyeqb8vMiKNGcvQbUpih2bRm4r/eqFcSLbRZZBxlaSWKToPjlKBbYynVeA+14xaMXaEUM3d75gOiSbUusJKrhR/sYJl0jyr+l7Vvz2v1K7yeopwBMdwCj5cQA1uoA4NoHAPz/ACr+gJvaF39DFfLaD85hD+AH3+ADzJlfc=</latexit>材料の構造等 材料の性能 機械学習 第⼀原理計算 (かかる時間の問題を除けば)機械学習を使うかどうかと無関係!
  • 26. x<latexit sha1_base64="BLB8K/n7QYAsE73zsDEUiBvCSV8=">AAAB/XicbVDLSgMxFL2pr1pfVZdugkVwVWZE0GXRjcsK9gHtUDJppo1NMkOSEctQ/AW3uncnbv0Wt36JaTsLbT1w4XDOvZzLCRPBjfW8L1RYWV1b3yhulra2d3b3yvsHTROnmrIGjUWs2yExTHDFGpZbwdqJZkSGgrXC0fXUbz0wbXis7uw4YYEkA8UjTol1UrMbyuxx0itXvKo3A14mfk4qkKPeK393+zFNJVOWCmJMx/cSG2REW04Fm5S6qWEJoSMyYB1HFZHMBNns2wk+cUofR7F2oyyeqb8vMiKNGcvQbUpih2bRm4r/eqFcSLbRZZBxlaSWKToPjlKBbYynVeA+14xaMXaEUM3d75gOiSbUusJKrhR/sYJl0jyr+l7Vvz2v1K7yeopwBMdwCj5cQA1uoA4NoHAPz/ACr+gJvaF39DFfLaD85hD+AH3+ADzJlfc=</latexit><latexit sha1_base64="BLB8K/n7QYAsE73zsDEUiBvCSV8=">AAAB/XicbVDLSgMxFL2pr1pfVZdugkVwVWZE0GXRjcsK9gHtUDJppo1NMkOSEctQ/AW3uncnbv0Wt36JaTsLbT1w4XDOvZzLCRPBjfW8L1RYWV1b3yhulra2d3b3yvsHTROnmrIGjUWs2yExTHDFGpZbwdqJZkSGgrXC0fXUbz0wbXis7uw4YYEkA8UjTol1UrMbyuxx0itXvKo3A14mfk4qkKPeK393+zFNJVOWCmJMx/cSG2REW04Fm5S6qWEJoSMyYB1HFZHMBNns2wk+cUofR7F2oyyeqb8vMiKNGcvQbUpih2bRm4r/eqFcSLbRZZBxlaSWKToPjlKBbYynVeA+14xaMXaEUM3d75gOiSbUusJKrhR/sYJl0jyr+l7Vvz2v1K7yeopwBMdwCj5cQA1uoA4NoHAPz/ACr+gJvaF39DFfLaD85hD+AH3+ADzJlfc=</latexit><latexit sha1_base64="BLB8K/n7QYAsE73zsDEUiBvCSV8=">AAAB/XicbVDLSgMxFL2pr1pfVZdugkVwVWZE0GXRjcsK9gHtUDJppo1NMkOSEctQ/AW3uncnbv0Wt36JaTsLbT1w4XDOvZzLCRPBjfW8L1RYWV1b3yhulra2d3b3yvsHTROnmrIGjUWs2yExTHDFGpZbwdqJZkSGgrXC0fXUbz0wbXis7uw4YYEkA8UjTol1UrMbyuxx0itXvKo3A14mfk4qkKPeK393+zFNJVOWCmJMx/cSG2REW04Fm5S6qWEJoSMyYB1HFZHMBNns2wk+cUofR7F2oyyeqb8vMiKNGcvQbUpih2bRm4r/eqFcSLbRZZBxlaSWKToPjlKBbYynVeA+14xaMXaEUM3d75gOiSbUusJKrhR/sYJl0jyr+l7Vvz2v1K7yeopwBMdwCj5cQA1uoA4NoHAPz/ACr+gJvaF39DFfLaD85hD+AH3+ADzJlfc=</latexit><latexit sha1_base64="BLB8K/n7QYAsE73zsDEUiBvCSV8=">AAAB/XicbVDLSgMxFL2pr1pfVZdugkVwVWZE0GXRjcsK9gHtUDJppo1NMkOSEctQ/AW3uncnbv0Wt36JaTsLbT1w4XDOvZzLCRPBjfW8L1RYWV1b3yhulra2d3b3yvsHTROnmrIGjUWs2yExTHDFGpZbwdqJZkSGgrXC0fXUbz0wbXis7uw4YYEkA8UjTol1UrMbyuxx0itXvKo3A14mfk4qkKPeK393+zFNJVOWCmJMx/cSG2REW04Fm5S6qWEJoSMyYB1HFZHMBNns2wk+cUofR7F2oyyeqb8vMiKNGcvQbUpih2bRm4r/eqFcSLbRZZBxlaSWKToPjlKBbYynVeA+14xaMXaEUM3d75gOiSbUusJKrhR/sYJl0jyr+l7Vvz2v1K7yeopwBMdwCj5cQA1uoA4NoHAPz/ACr+gJvaF39DFfLaD85hD+AH3+ADzJlfc=</latexit> 
 

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  • 34. 
 
 x!y<latexit sha1_base64="kaK7x7wFN3GZpVpMGGOJaQQWYoA=">AAACBXicbVC7SgNBFL0bXzG+opY2E4NgFXZF0DJoYxnBPCC7htnJJBkys7PMzIrLktpfsNXeTmz9Dlu/xEmyhSYeuHA4517O5YQxZ9q47pdTWFldW98obpa2tnd298r7By0tE0Vok0guVSfEmnIW0aZhhtNOrCgWIaftcHw99dsPVGkmozuTxjQQeBixASPYWOneD0X2OPErvpF+Je2Vq27NnQEtEy8nVcjR6JW//b4kiaCRIRxr3fXc2AQZVoYRTiclP9E0xmSMh7RraYQF1UE2+3qCTqzSRwOp7EQGzdTfFxkWWqcitJsCm5Fe9Kbiv14oFpLN4DLIWBQnhkZkHjxIODISTStBfaYoMTy1BBPF7O+IjLDCxNjiSrYUb7GCZdI6q3luzbs9r9av8nqKcATHcAoeXEAdbqABTSCg4Ble4NV5ct6cd+djvlpw8ptD+APn8wfECJj5</latexit><latexit sha1_base64="kaK7x7wFN3GZpVpMGGOJaQQWYoA=">AAACBXicbVC7SgNBFL0bXzG+opY2E4NgFXZF0DJoYxnBPCC7htnJJBkys7PMzIrLktpfsNXeTmz9Dlu/xEmyhSYeuHA4517O5YQxZ9q47pdTWFldW98obpa2tnd298r7By0tE0Vok0guVSfEmnIW0aZhhtNOrCgWIaftcHw99dsPVGkmozuTxjQQeBixASPYWOneD0X2OPErvpF+Je2Vq27NnQEtEy8nVcjR6JW//b4kiaCRIRxr3fXc2AQZVoYRTiclP9E0xmSMh7RraYQF1UE2+3qCTqzSRwOp7EQGzdTfFxkWWqcitJsCm5Fe9Kbiv14oFpLN4DLIWBQnhkZkHjxIODISTStBfaYoMTy1BBPF7O+IjLDCxNjiSrYUb7GCZdI6q3luzbs9r9av8nqKcATHcAoeXEAdbqABTSCg4Ble4NV5ct6cd+djvlpw8ptD+APn8wfECJj5</latexit><latexit sha1_base64="kaK7x7wFN3GZpVpMGGOJaQQWYoA=">AAACBXicbVC7SgNBFL0bXzG+opY2E4NgFXZF0DJoYxnBPCC7htnJJBkys7PMzIrLktpfsNXeTmz9Dlu/xEmyhSYeuHA4517O5YQxZ9q47pdTWFldW98obpa2tnd298r7By0tE0Vok0guVSfEmnIW0aZhhtNOrCgWIaftcHw99dsPVGkmozuTxjQQeBixASPYWOneD0X2OPErvpF+Je2Vq27NnQEtEy8nVcjR6JW//b4kiaCRIRxr3fXc2AQZVoYRTiclP9E0xmSMh7RraYQF1UE2+3qCTqzSRwOp7EQGzdTfFxkWWqcitJsCm5Fe9Kbiv14oFpLN4DLIWBQnhkZkHjxIODISTStBfaYoMTy1BBPF7O+IjLDCxNjiSrYUb7GCZdI6q3luzbs9r9av8nqKcATHcAoeXEAdbqABTSCg4Ble4NV5ct6cd+djvlpw8ptD+APn8wfECJj5</latexit><latexit sha1_base64="kaK7x7wFN3GZpVpMGGOJaQQWYoA=">AAACBXicbVC7SgNBFL0bXzG+opY2E4NgFXZF0DJoYxnBPCC7htnJJBkys7PMzIrLktpfsNXeTmz9Dlu/xEmyhSYeuHA4517O5YQxZ9q47pdTWFldW98obpa2tnd298r7By0tE0Vok0guVSfEmnIW0aZhhtNOrCgWIaftcHw99dsPVGkmozuTxjQQeBixASPYWOneD0X2OPErvpF+Je2Vq27NnQEtEy8nVcjR6JW//b4kiaCRIRxr3fXc2AQZVoYRTiclP9E0xmSMh7RraYQF1UE2+3qCTqzSRwOp7EQGzdTfFxkWWqcitJsCm5Fe9Kbiv14oFpLN4DLIWBQnhkZkHjxIODISTStBfaYoMTy1BBPF7O+IjLDCxNjiSrYUb7GCZdI6q3luzbs9r9av8nqKcATHcAoeXEAdbqABTSCg4Ble4NV5ct6cd+djvlpw8ptD+APn8wfECJj5</latexit> 
 
 ☺ 

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 • この薬を飲めば私の病気は治るの? • この健康⾷品⾷べていれば⻑⽣きできるの? • この化粧品つけていれば少しでも若くいられるの? • この⾷品たべればダイエットできるの? • 原⼦⼒は安全なの? 科学というものには、本来限界があって、広い意味での再現可能の現象を、 ⾃然界から抜き出して、それを統計学的に究明していく、そういう性質の
 学問なのである。「科学の⽅法 (中⾕宇吉郎)」
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