{"id":184637,"date":"2019-10-07T06:30:04","date_gmt":"2019-10-06T22:30:04","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=184637"},"modified":"2019-10-06T19:22:15","modified_gmt":"2019-10-06T11:22:15","slug":"%e5%a4%a7%e6%95%b0%e6%8d%ae%e6%97%b6%e4%bb%a3%e5%a6%82%e4%bd%95%e6%8a%93%e4%bd%8f%e6%9c%ba%e9%81%87%e5%b9%b6%e5%ba%94%e5%af%b9%e6%8c%91%e6%88%98","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=184637","title":{"rendered":"\u5927\u6570\u636e\u65f6\u4ee3\u5982\u4f55\u6293\u4f4f\u673a\u9047\u5e76\u5e94\u5bf9\u6311\u6218"},"content":{"rendered":"

2010\u5e74\uff0c\u300a\u7ecf\u6d4e\u5b66\u4eba\u300b\u53d1\u8868\u4e86\u4e00\u7bc7\u957f\u8fbe14\u9875\u7684\u5173\u4e8e\u5927\u6570\u636e\u5e94\u7528\u7684\u524d\u77bb\u6027\u7814\u7a76\uff0c\u4f5c\u8005\u662f\u88ab\u8a89\u4e3a\u201c\u5927\u6570\u636e\u65f6\u4ee3\u7684\u9884\u8a00\u5bb6\u201d\u7ef4\u514b\u6258\u00b7\u8fc8\u5c14\u00b7\u820d\u6069\u4f2f\u683c\uff0c\u4ed6\u6307\u51fa\uff1a\u5927\u6570\u636e\u5e26\u6765\u7684\u4fe1\u606f\u98ce\u66b4\u6b63\u5728\u53d8\u9769\u7740\u6211\u4eec\u7684\u751f\u6d3b\u3001\u5de5\u4f5c\u548c\u601d\u7ef4\uff0c\u5c06\u5f00\u542f\u4e00\u6b21\u5305\u62ec\u601d\u7ef4\u53d8\u9769\u3001\u5546\u4e1a\u53d8\u9769\u548c\u7ba1\u7406\u53d8\u9769\u7684\u65f6\u4ee3\u8f6c\u578b\u3002\u4f5c\u4e3a\u6750\u6599\u79d1\u7814\u5de5\u4f5c\u8005\uff0c\u5982\u4f55\u5728\u5927\u6570\u636e\u65f6\u4ee3\u6293\u4f4f\u673a\u9047\u5e76\u5e94\u5bf9\u6311\u6218\u5462\uff1f\u6216\u8bb8\u6211\u4eec\u53ef\u4ee5\u5728\u65b0\u5174\u7684\u5e76\u5728\u8fc5\u901f\u53d1\u5c55\u7684\u6750\u6599\u4fe1\u606f\u5b66\u4e2d\u627e\u5230\u7b54\u6848\u3002<\/p>\n

\u6885\u7279\u5361\u592b\u5b9a\u5f8b\uff08Metcalfe\u2019s law\uff09\u662f\u4e00\u4e2a\u5173\u4e8e\u7f51\u7edc\u4ef7\u503c\u548c\u7f51\u7edc\u6280\u672f\u53d1\u5c55\u7684\u5b9a\u5f8b\uff0c\u5176\u8868\u8ff0\u4e3a\uff1aV=K*N2<\/sup>\uff0c\u5176\u4e2d\uff0cV\u662f\u7f51\u7edc\u4ef7\u503c\uff0cK\u4e3a\u4ef7\u503c\u7cfb\u6570\uff0cN\u4e3a\u7f51\u7edc\u8282\u70b9\/\u7528\u6237\u6570\u91cf\u3002\u501f\u52a9\u8ba1\u7b97\u673a\u8fd0\u7b97\u80fd\u529b\u7684\u63d0\u9ad8\uff0c\u91c7\u7528\u9ad8\u901a\u91cf\u6280\u672f\u3001\u7ec4\u5408\u5b9e\u9a8c\u548c\u8868\u5f81\u65b9\u6cd5\u7b49\u5728\u73b0\u4ee3\u6750\u6599\u7814\u53d1\u4e2d\u7684\u5e94\u7528\uff0c\u6750\u6599\u6570\u636e\u5c06\u5448\u51e0\u4f55\u7ea7\u6570\u7684\u7206\u53d1\u5f0f\u589e\u957f\uff0c\u5982\u56fe1\u6240\u793a\uff0c\u4ece\u5927\u91cf\u7684\u6570\u636e\u4e2d\u53d1\u73b0\u77e5\u8bc6\u662f\u672a\u6765\u6750\u6599\u7814\u53d1\u7684\u4e3b\u8981\u65b9\u6cd5\u3002<\/p>\n

\u56fe1 \u6885\u7279\u5361\u592b\u5b9a\u5f8b\u4e0b\u7684\u6750\u6599\u57fa\u56e0\u5de5\u7a0b<\/strong><\/p>\n

\"\"<\/p>\n

1999\u5e74\uff0cJohn R Rodgers\u6559\u6388\u9996\u5148\u63d0\u51fa\u6750\u6599\u4fe1\u606f\u5b66\uff08Materials Informatics\uff09\u8fd9\u4e00\u6982\u5ff5\uff0c\u8ba4\u4e3a\u662f\u8ba1\u7b97\u79d1\u5b66\u5728\u6750\u6599\u6570\u636e\u7684\u89e3\u6790\u3001\u7ba1\u7406\u548c\u5206\u6790\u4e0a\u7684\u5e94\u7528\uff0c\u4ee5\u52a0\u5feb\u548c\u4fc3\u8fdb\u65b0\u6750\u6599\u5f00\u53d1\u548c\u8bbe\u8ba1\uff0c\u540c\u65f6\u63a8\u52a8\u6750\u6599\u7814\u7a76\u4ece\u4f20\u7edf\u7684\u7ecf\u9a8c\u3001\u7406\u8bba\u548c\u8ba1\u7b97\u6a21\u62df\u9636\u6bb5\u8fdb\u5165\u7531\u5927\u6570\u636e\u9a71\u52a8\u7684\u7814\u53d1\u65f6\u4ee3[1]<\/sup>\u3002<\/p>\n

\u56fe2\u4e3a\u5229\u7528\u6750\u6599\u4fe1\u606f\u5b66\u8fdb\u884c\u77e5\u8bc6\u53d1\u73b0\u7684\u6d41\u7a0b\u793a\u610f\u56fe\u3002\u6750\u6599\u4fe1\u606f\u5b66\u7684\u542b\u4e49\u53ef\u5f52\u7eb3\u4e3a\u6750\u6599\u79d1\u5b66\u4e0e\u5de5\u7a0b\u9886\u57df\u7684\u5927\u6570\u636e\u5206\u6790\uff0c\u901a\u8fc7\u8ba1\u7b97\u673a\u6280\u672f\u5bf9\u6d77\u91cf\u7684\u6750\u6599\u6570\u636e\u8fdb\u884c\u6570\u636e\u6316\u6398\u548c\u53ef\u89c6\u5316\u5206\u6790\uff0c\u5e76\u4ece\u4e2d\u63d0\u53d6\u3001\u603b\u7ed3\u51fa\u6750\u6599\u7684\u6210\u5206\u3001\u5de5\u827a\u3001\u7ed3\u6784\u548c\u6027\u80fd\u7684\u5173\u7cfb\uff0c\u4ee5\u5b9e\u73b0\u77e5\u8bc6\u5171\u4eab\uff0c\u6709\u529b\u4fc3\u8fdb\u65b0\u6750\u6599\u65b0\u5de5\u827a\u7684\u7814\u53d1\u8bbe\u8ba1\u3002<\/p>\n

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\"\"<\/p>\n

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\u56fe3 \u6750\u6599\u4fe1\u606f\u5b66\u7684\u7406\u8bba\u6846\u67b6[6]<\/sup><\/strong><\/p>\n

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\uff082\uff09\u6750\u6599\u6570\u636e\u6316\u6398<\/strong><\/p>\n

\u6570\u636e\u6316\u6398\uff08Knowledge-Discovery in Databases\uff0cKDD\uff09\u662f\u4f7f\u7528\u7279\u5b9a\u7684\u7b97\u6cd5\u5bf9\u5927\u6570\u636e\u96c6\u8fdb\u884c\u641c\u7d22\uff0c\u63d0\u53d6\u6570\u636e\u5e93\u4e2d\u7684\u77e5\u8bc6\u7684\u8fc7\u7a0b\u3002\u56fe4\u4e3a\u5229\u7528\u6570\u636e\u6316\u6398\u8fdb\u884c\u77e5\u8bc6\u53d1\u73b0\u7684\u6d41\u7a0b\u793a\u610f\u56fe\uff0c\u53ef\u4ee5\u770b\u51fa\uff0c\u8be5\u8fc7\u7a0b\u4e3b\u8981\u5305\u62ec\u6570\u636e\u8f93\u5165\u3001\u6570\u636e\u9884\u5904\u7406\uff08\u6570\u636e\u6c47\u5408\u3001\u6570\u636e\u6e05\u6d17\u3001\u7279\u5f81\u9009\u62e9\u7b49\uff09\u3001\u6570\u636e\u6316\u6398\u548c\u540e\u5904\u7406\uff08\u6a21\u5f0f\u8fc7\u6ee4\u3001\u53ef\u89c6\u5316\u7b49\uff09\uff0c\u6700\u7ec8\u5f97\u5230\u6709\u7528\u7684\u4fe1\u606f \uff08\u77e5\u8bc6\uff09\u3002<\/p>\n

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\u4eba\u5de5\u795e\u7ecf\u7f51\u7edc\uff08ANN\uff09\u662f\u6a21\u62df\u751f\u7269\u795e\u7ecf\u7cfb\u7edf\uff0c\u7531\u4e00\u7ec4\u76f8\u4e92\u8fde\u63a5\u7684\u8282\u70b9\u548c\u6709\u5411\u94fe\u7ec4\u6210\u7f51\u7edc\uff0c\u6bcf\u4e2a\u8282\u70b9\u4ee3\u8868\u4e00\u79cd\u7279\u5b9a\u7684\u8f93\u51fa\u51fd\u6570\uff0c\u5373\u6fc0\u52b1\u51fd\u6570\uff08Activation Function\uff09\uff0c\u6bcf\u4e24\u4e2a\u8282\u70b9\u95f4\u7684\u8fde\u63a5\u4ee3\u8868\u4e00\u4e2a\u5bf9\u4e8e\u901a\u8fc7\u8be5\u8fde\u63a5\u4fe1\u53f7\u7684\u52a0\u6743\u503c\uff08\u6743\u91cd\uff09\u3002\u4eba\u5de5\u795e\u7ecf\u7f51\u7edc\uff08ANN\uff09\u7684\u7279\u70b9\u662f\uff1a\u53ef\u7528\u6765\u8fd1\u4f3c\u4efb\u4f55\u76ee\u6807\u51fd\u6570\uff0c\u4f46\u9700\u8981\u9009\u62e9\u5408\u9002\u7684\u62d3\u6251\u9632\u6b62\u6a21\u578b\u7684\u8fc7\u62df\u5408\uff1b\u53ef\u4ee5\u5904\u7406\u5197\u4f59\u7279\u5f81\uff0c\u5197\u4f59\u6743\u503c\u975e\u5e38\u5c0f\uff1b\u5bf9\u8bad\u7ec3\u6570\u96c6\u7684\u566a\u58f0\u975e\u5e38\u654f\u611f\uff1b\u5f53\u9690\u85cf\u8282\u70b9\u6570\u91cf\u5de8\u5927\u65f6\uff0cANN \u7684\u8bad\u7ec3\u76f8\u5f53\u8017\u65f6\uff0c\u4f46\u6d4b\u8bd5\u5206\u7c7b\u975e\u5e38\u5feb\u3002<\/p>\n

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\uff083\uff09\u6570\u636e\u5206\u6790\u548c\u56fe\u50cf\u5904\u7406<\/strong><\/p>\n

\u626b\u63cf\/\u900f\u5c04\u7535\u955c\uff08Scanning\/Transmission Electron Microscopy\uff0cS\/TEM\uff09\u3001\u626b\u63cf\u63a2\u9488\u663e\u5fae\u955c\uff08Scanning Probe Microscopy\uff09\u548cmicro-Raman\u3001ToF-SIMS\uff08time-of-flight secondary-ion mass spectrometry\uff09\u7b49\u5316\u5b66\u6210\u50cf\u65b9\u6cd5\uff08Chemical Imaging Method\uff09\u5f00\u8f9f\u4e86\u6750\u6599\u7ed3\u6784\u548c\u529f\u80fd\u7684\u9ad8\u5206\u8fa8\u7387\u6210\u50cf\u9053\u8def\uff0c\u4ea7\u751f\u4e86\u5927\u91cf\u76842D\u7ed3\u6784\u3001\u529f\u80fd\u548c\u5149\u8c31\u6570\u636e\uff0c\u8fd9\u5c31\u4e3a\u6570\u636e\u5b58\u50a8\u3001\u8f93\u51fa\u8f6c\u5316\u548c\u7269\u7406\u63d0\u53d6\u7b49\u65b9\u9762\u5e26\u6765\u4e86\u66f4\u591a\u7684\u6311\u6218\u548c\u673a\u9047\u3002\u4f8b\u5982\uff0c\u5229\u7528\u7535\u5b50\u663e\u5fae\u955c\u5f97\u5230\u7684\u4e00\u4e2a\u5206\u8fa8\u7387\u4e3a\uff082048*2048\uff09\u7684\u5927\u7ea61000\u5e27\u7684\u52a8\u6001\u53d8\u5316\u89c6\u9891\uff08\u6216\u9ad8\u5149\u8c31\u6570\u636e\u96c6\uff09\u5bf9\u5e94\u4e8e18GB\u7684\u6570\u636e\u96c6\uff1b\u5728\uff081024*1024\uff09*\uff081024*1024\uff09\u50cf\u7d20\u5206\u8fa8\u7387\u4e0b\u83b7\u5f97\u7684\u6bcf\u4e2a\u6837\u54c1\u533a\u57df\u7684\u5c40\u90e8\u884d\u5c04\u56fe\u6848\u5bf9\u5e94\u76844D STEM\u6570\u636e\u96c6\u7ea6\u4e3a4.4TB\u3002<\/p>\n

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      • \u591a\u6570\u636e\u7ba1\u7406<\/li>\n<\/ul>\n

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        \u53c2\u8003\u6587\u732e<\/b><\/strong><\/p>\n

        [1] Raccuglia, K. C. Elbert, P. D. F. Adler, et al. Machine-learning-assisted materialsdiscovery using failed experiments\u00a0[J]. Nature, 2016, 533(7601): 73-76<\/p>\n

        [2] Agrawal A, Choudhary A. Apl Materials [J], 2016, 4 (5): 1-17<\/p>\n

        [3] Sparks T D, Gaultois M W, Oliynyk A, et al. Scripta Materialia [J], 2016, 111: 10-15<\/p>\n

        [4] Wang Zhuo, Cui Yuwen, Materials Informatics and Its Application in Materials Research [J], Materials China, 2017, 36(2):132-140<\/p>\n

        [5] M. Rickman, H.M. Chan, Materials informatics for the screeningof multi-principal elements and high-entropy alloys\u00a0[J], Nature\u00a0Communications, 2019, 10:\u00a02618<\/p>\n

        [6] Rajan, P. F. Mendez. Materials Informatics[J],\u00a0Statistical Analysis & Data Mining, 2013,\u00a01(4): 470<\/p>\n

        [7] Doreswamy\uff0cHemanth K S\uff0e International Journal of Database Management Systems\uff3bJ\uff3d\uff0c2012\uff0c3 ( 1) : 512\uff0d522\uff0e<\/p>\n

        [8] Zhan, T.; Fang, L.; Xu, Y. Sci. Rep. 2017, 7 (1), 7109<\/p>\n

        [9] Wiao Wan, Wentao Feng, et al. Materials Discovery and Properties Prediction in Thermal Transportvia Materials Informatics: A Mini Review\u00a0[J]. Nano Lett. 2019, 19, 3387\u22123395<\/p>\n

        [10] M. Rickman, T. Lookman, S.V. Kalinin, Materials informatics: From the atomic-level to the continuum[J]. Acta Materialia 168 (2019):\u00a0473-510<\/p>\n

        [11] Seeram Ramakrishna, Materials informatics[J], Journal of Intelligent Manufacturing, 2019, 30:\u00a02307-2326<\/p>\n

        [12] Gentoku Nakada, Yasuhiko Igarashi,Materials-Informatics-Assisted High-Yield Synthesis of 2D\u00a0Nanomaterials through Exfoliation\u00a0[J], Theory Simul. 2019, 2, 1800180<\/p>\n

        \u672c\u6587\u7531\u80e1\u51e1<\/strong>\u4f9b\u7a3f\u3002<\/p>\n

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