{"id":272785,"date":"2026-08-12T20:34:00","date_gmt":"2026-08-12T12:34:00","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=272785"},"modified":"2026-08-11T22:44:46","modified_gmt":"2026-08-11T14:44:46","slug":"%e9%a6%99%e6%b8%af%e7%90%86%e5%b7%a5%e5%a4%a7%e5%ad%a6%e6%9d%a8%e6%98%8e%e6%95%99%e6%8e%88%e8%af%be%e9%a2%98%e7%bb%84-npj-computational-materials%ef%bc%9a%e5%9f%ba%e4%ba%8e%e7%89%a9%e7%90%86","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=272785","title":{"rendered":"\u9999\u6e2f\u7406\u5de5\u5927\u5b66\u6768\u660e\u6559\u6388\u8bfe\u9898\u7ec4\u00a0npj Computational Materials\uff1a\u57fa\u4e8e\u7269\u7406\u5efa\u6a21\u4e0e\u6570\u636e\u9a71\u52a8\u7684\u673a\u5668\u5b66\u4e60\u52a0\u901f\u9502\u7535\u6c60\u9000\u5316\u53c2\u6570\u53cd\u6f14"},"content":{"rendered":"\n<p>\u7b2c\u4e00\u4f5c\u8005\uff08\u6216\u8005\u5171\u540c\u7b2c\u4e00\u4f5c\u8005\uff09\uff1a&nbsp;&nbsp;\u90d1\u6668\u822a&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;<\/p>\n\n\n\n<p>\u901a\u8baf\u4f5c\u8005\uff08\u6216\u8005\u5171\u540c\u901a\u8baf\u4f5c\u8005\uff09\uff1a&nbsp;&nbsp;\u6768\u660e&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;<\/p>\n\n\n\n<p>\u901a\u8baf\u5355\u4f4d\uff1a&nbsp;&nbsp;\u9999\u6e2f\u7406\u5de5\u5927\u5b66&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;<\/p>\n\n\n\n<p>\u8bba\u6587DOI\uff1a<a href=\"https:\/\/doi.org\/10.1038\/s41524-026-02250-3\"><u>https:\/\/doi.org\/10.1038\/s41524-026-02250-3<\/u><\/a><\/p>\n\n\n\n<p>\u5168\u6587\u901f\u89c8<\/p>\n\n\n\n<p>\u8be5\u7814\u7a76\u901a\u8fc7\u7269\u7406\u5efa\u6a21\u4e0e\u6570\u636e\u9a71\u52a8\u673a\u5668\u5b66\u4e60\u76f8\u7ed3\u5408\uff0c\u63d0\u51fa\u4e86\u4e00\u79cd\u9762\u5411\u9502\u7535\u6c60\u9000\u5316\u673a\u7406\u7684\u4e24\u9636\u6bb5\u9006\u5411\u53c2\u6570\u63a8\u65ad\u6846\u67b6\uff0c\u4ece\u5b9e\u9a8c\u5bb9\u91cf\u65e9\u671f\u8870\u51cf\u66f2\u7ebf\u4e2d\u63d0\u53d6\u9000\u5316\u659c\u7387\u4e0e\u819d\u70b9\u7b49\u5173\u952e\u7279\u5f81\uff0c\u5e76\u5229\u7528PyBaMM\u5efa\u7acb\u5176\u4e0eSEI\u751f\u957f\u548c\u9502\u6790\u51fa\u53c2\u6570\u4e4b\u95f4\u7684\u7269\u7406\u6620\u5c04\u3002\u5728Stanford\u5feb\u5145\u7535\u6c60\u6570\u636e\u96c6\uff08MATR\uff09\u4e0a\u7684\u9a8c\u8bc1\u7ed3\u679c\u8868\u660e\uff0c\u8be5\u65b9\u6cd5\u80fd\u591f\u9ad8\u7cbe\u5ea6\u91cd\u6784\u5b9e\u9a8c\u9000\u5316\u8f68\u8ff9\uff0c\u5e76\u5b9e\u73b0\u5bf9\u5173\u952e\u5185\u90e8\u9000\u5316\u53c2\u6570\u7684\u6709\u6548\u8fa8\u8bc6\uff0c\u540c\u65f6\u7ed3\u5408\u4e0d\u786e\u5b9a\u6027\u91cf\u5316\u63d0\u9ad8\u590d\u6742\u8001\u5316\u9636\u6bb5\u9884\u6d4b\u7684\u53ef\u9760\u6027\uff0c\u4e3a\u89e3\u51b3\u4f20\u7edf\u7269\u7406\u6a21\u578b\u53c2\u6570\u7ef4\u5ea6\u9ad8\u3001\u53ef\u8fa8\u8bc6\u6027\u4e0d\u8db3\u7b49\u95ee\u9898\u63d0\u4f9b\u4e86\u65b0\u7684\u601d\u8def\u3002<\/p>\n\n\n\n<p>\u80cc\u666f\u4ecb\u7ecd<\/p>\n\n\n\n<p>\u9502\u7535\u6c60\u56e0\u5176\u9ad8\u80fd\u91cf\u5bc6\u5ea6\u3001\u957f\u5faa\u73af\u5bff\u547d\u4ee5\u53ca\u826f\u597d\u7684\u5145\u653e\u7535\u6027\u80fd\uff0c\u5df2\u5e7f\u6cdb\u5e94\u7528\u4e8e\u7535\u52a8\u6c7d\u8f66\u3001\u50a8\u80fd\u7cfb\u7edf\u53ca\u4fbf\u643a\u5f0f\u7535\u5b50\u8bbe\u5907\u3002\u7136\u800c\uff0c\u5728\u957f\u671f\u5faa\u73af\u8fc7\u7a0b\u4e2d\uff0c\u7535\u6c60\u5185\u90e8\u4f1a\u540c\u65f6\u53d1\u751f\u56fa\u4f53\u7535\u89e3\u8d28\u754c\u9762\u819c\uff08SEI\uff09\u751f\u957f\u3001\u9502\u6790\u51fa\u3001\u6d3b\u6027\u6750\u6599\u635f\u5931\u7b49\u591a\u79cd\u76f8\u4e92\u8026\u5408\u7684\u9000\u5316\u8fc7\u7a0b\uff0c\u5bfc\u81f4\u5bb9\u91cf\u8870\u51cf\u5e76\u663e\u8457\u5f71\u54cd\u7535\u6c60\u7684\u5b89\u5168\u6027\u548c\u4f7f\u7528\u5bff\u547d\u3002\u5982\u4f55\u4ece\u6709\u9650\u7684\u5916\u90e8\u53ef\u89c2\u6d4b\u6570\u636e\u4e2d\u51c6\u786e\u8bc6\u522b\u7535\u6c60\u5185\u90e8\u7684\u5173\u952e\u9000\u5316\u673a\u5236\u53ca\u5176\u7269\u7406\u53c2\u6570\uff0c\u4ecd\u662f\u7535\u6c60\u5065\u5eb7\u8bca\u65ad\u4e0e\u5bff\u547d\u9884\u6d4b\u9762\u4e34\u7684\u91cd\u8981\u6311\u6218\u3002\u57fa\u4e8e\u4f2a\u4e8c\u7ef4\uff08P2D\uff09\u6a21\u578b\u7684\u7269\u7406\u5efa\u6a21\u80fd\u591f\u63cf\u8ff0\u7535\u6c60\u5185\u90e8\u7684\u7535\u5316\u5b66\u53cd\u5e94\u3001\u79bb\u5b50\u4f20\u8f93\u53ca\u9000\u5316\u8fc7\u7a0b\uff0c\u4f46\u4f20\u7edf\u53c2\u6570\u8fa8\u8bc6\u901a\u5e38\u9700\u8981\u540c\u65f6\u4f18\u5316\u5927\u91cf\u9ad8\u5ea6\u8026\u5408\u7684\u6a21\u578b\u53c2\u6570\uff0c\u4e0d\u4ec5\u8ba1\u7b97\u6210\u672c\u8f83\u9ad8\uff0c\u4e5f\u5bb9\u6613\u4ea7\u751f\u53c2\u6570\u975e\u552f\u4e00\u6027\u548c\u53ef\u8fa8\u8bc6\u6027\u4e0d\u8db3\u7684\u95ee\u9898\u3002\u5df2\u6709\u7814\u7a76\u8868\u660e\uff0c\u7535\u6c60\u5bb9\u91cf\u8870\u51cf\u8f68\u8ff9\u4e2d\u5b58\u5728\u660e\u663e\u7684\u9636\u6bb5\u6027\u7279\u5f81\uff0c\u4f8b\u5982\u65e9\u671f\u8fd1\u7ebf\u6027\u8870\u51cf\u4ee5\u53ca\u819d\u70b9\u4e4b\u540e\u7684\u52a0\u901f\u8870\u51cf\uff0c\u8fd9\u4e9b\u7279\u5f81\u4e0eSEI\u751f\u957f\u3001\u9502\u6790\u51fa\u7b49\u9000\u5316\u8fc7\u7a0b\u5bc6\u5207\u76f8\u5173\u3002\u7136\u800c\uff0c\u76ee\u524d\u591a\u6570\u53c2\u6570\u8fa8\u8bc6\u65b9\u6cd5\u4ecd\u4e3b\u8981\u4f9d\u8d56\u9ad8\u7ef4\u53c2\u6570\u7a7a\u95f4\u4e2d\u7684\u76f4\u63a5\u62df\u5408\uff0c\u5c1a\u672a\u5145\u5206\u5229\u7528\u9000\u5316\u8f68\u8ff9\u4e2d\u53ef\u89c2\u6d4b\u7684\u9636\u6bb5\u6027\u7269\u7406\u7279\u5f81\u6765\u7ea6\u675f\u53c2\u6570\u53cd\u6f14\u3002\u56e0\u6b64\uff0c\u4e9f\u9700\u53d1\u5c55\u4e00\u79cd\u878d\u5408\u7269\u7406\u5148\u9a8c\u4e0e\u6570\u636e\u9a71\u52a8\u65b9\u6cd5\u7684\u4f4e\u7ef4\u53c2\u6570\u53cd\u6f14\u6846\u67b6\uff0c\u4ee5\u63d0\u5347\u5173\u952e\u9000\u5316\u53c2\u6570\u7684\u53ef\u8fa8\u8bc6\u6027\u548c\u7269\u7406\u53ef\u89e3\u91ca\u6027\uff0c\u5e76\u5b9e\u73b0\u5bf9\u5b9e\u9a8c\u7535\u6c60\u9000\u5316\u884c\u4e3a\u7684\u9ad8\u6548\u91cd\u6784\u3002<\/p>\n\n\n\n<p>\u672c\u6587\u4eae\u70b9<\/p>\n\n\n\n<p>a) <strong>\u53ef\u89e3\u91ca\u9000\u5316\u7279\u5f81\u6620\u5c04<\/strong>\uff1a\u672c\u6587\u9488\u5bf9\u9502\u79bb\u5b50\u7535\u6c60\u5bb9\u91cf\u8870\u51cf\u8fc7\u7a0b\u4e2d\u5b58\u5728\u7684\u9636\u6bb5\u6027\u7279\u5f81\uff0c\u63d0\u51fa\u57fa\u4e8e\u819d\u70b9\uff08knee point\uff09\u7684\u4e24\u9636\u6bb5\u9000\u5316\u8868\u5f81\u65b9\u6cd5\uff0c\u4ece\u5b9e\u9a8c\u5bb9\u91cf\u8870\u51cf\u8f68\u8ff9\u4e2d\u63d0\u53d6\u65e9\u671f\u9000\u5316\u659c\u7387 <em>k<\/em><em><sub><em><sub>1<\/sub><\/em><\/sub><\/em>\u3001\u4e2d\u671f\u9000\u5316\u659c\u7387<em>k<\/em><em><sub><em><sub>2<\/sub><\/em><\/sub><\/em>&nbsp;\u4ee5\u53ca\u819d\u70b9\u4f4d\u7f6e&nbsp;(<img loading=\"lazy\" decoding=\"async\" width=\"7\" height=\"39\" src=\"\">)\uff0c\u5c06\u590d\u6742\u7684\u957f\u671f\u9000\u5316\u884c\u4e3a\u538b\u7f29\u4e3a\u4e00\u7ec4\u5177\u6709\u660e\u786e\u7269\u7406\u610f\u4e49\u7684\u4f4e\u7ef4\u9000\u5316\u7279\u5f81\u3002<\/p>\n\n\n\n<p>b) <strong>\u7269\u7406\u6a21\u578b\u9a71\u52a8\u7684\u6570\u636e\u96c6\u6784\u5efa<\/strong>\uff1a\u57fa\u4e8ePyBaMM\u4f2a\u4e8c\u7ef4\uff08P2D\uff09\u7535\u5316\u5b66\u6a21\u578b\uff0c\u7ed3\u5408SEI\u751f\u957f\u4e0e\u9502\u6790\u51fa\u9000\u5316\u5b50\u6a21\u578b\uff0c\u6784\u5efa\u8986\u76d6\u4e0d\u540c\u9000\u5316\u901f\u7387\u548c\u819d\u70b9\u4f4d\u7f6e\u7684\u5408\u6210\u9000\u5316\u6570\u636e\u96c6\u3002\u901a\u8fc7\u7cfb\u7edf\u8c03\u8282SEI\u53cd\u5e94\u4ea4\u6362\u7535\u6d41\u5bc6\u5ea6&nbsp;(<em>j<\/em><em><sub><em><sub>sei<\/sub><\/em><\/sub><\/em>),\u3001\u6b7b\u9502\u8870\u51cf\u5e38\u6570&nbsp;(<em>\u03b3<\/em>), &nbsp;\u53ca\u9502\u6790\u51fa\u6fc0\u6d3b\u9636\u6bb5\uff0c\u5efa\u7acb\u5b9e\u9a8c\u53ef\u89c2\u6d4b\u9000\u5316\u7279\u5f81\u4e0e\u5185\u90e8\u7269\u7406\u9000\u5316\u53c2\u6570\u4e4b\u95f4\u7684\u6620\u5c04\u5173\u7cfb\u3002<\/p>\n\n\n\n<p>c) <strong>\u9ad8\u6548\u53c2\u6570\u53cd\u6f14<\/strong>\uff1a\u9488\u5bf9\u4e0d\u540c\u9000\u5316\u9636\u6bb5\u7684\u7269\u7406\u7279\u5f81\uff0c\u5206\u522b\u91c7\u7528\u7ebf\u6027\u56de\u5f52\u548cXGBoost\u5b9e\u73b0\u5173\u952e\u9000\u5316\u53c2\u6570\u7684\u9ad8\u6548\u53cd\u6f14\u3002\u5176\u4e2d\uff0c\u65e9\u671f\u8fd1\u7ebf\u6027\u9000\u5316\u9636\u6bb5\u5efa\u7acb&nbsp;(<em>k<\/em><em><sub><em><sub>1<\/sub><\/em><\/sub><\/em>) \u4e0eSEI\u76f8\u5173\u53c2\u6570\u4e4b\u95f4\u7684\u4f4e\u7ef4\u6620\u5c04\uff0c\u540e\u671f\u590d\u6742\u9000\u5316\u9636\u6bb5\u5219\u5229\u7528\u673a\u5668\u5b66\u4e60\u6355\u6349&nbsp;(<em>k<\/em><em><sub><em><sub>2<\/sub><\/em><\/sub><\/em>)\u3001\u819d\u70b9\u53ca\u9502\u6790\u51fa\u76f8\u5173\u53c2\u6570\u4e4b\u95f4\u7684\u975e\u7ebf\u6027\u5173\u7cfb\uff0c\u4ece\u800c\u964d\u4f4e\u4f20\u7edfP2D\u6a21\u578b\u9ad8\u7ef4\u53c2\u6570\u8fa8\u8bc6\u4e2d\u7684\u53c2\u6570\u8026\u5408\u4e0e\u53ef\u8fa8\u8bc6\u6027\u95ee\u9898\u3002<\/p>\n\n\n\n<p>d) <strong>\u5b9e\u9a8c\u9a8c\u8bc1\u4e0e\u4e0d\u786e\u5b9a\u6027\u91cf\u5316<\/strong>\uff1a\u57fa\u4e8eStanford\u5feb\u5145\u7535\u6c60\u6570\u636e\u96c6&nbsp;(MATR) 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loading=\"lazy\" decoding=\"async\" width=\"700\" height=\"306\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2026\/08\/2382c315a6ba396-6.png\" alt=\"\" class=\"wp-image-272786\"\/><\/figure>\n\n\n\n<p>\u56fe1. \u4e24\u9636\u6bb5\u9000\u5316\u7279\u5f81\u63d0\u53d6\u53ca\u53c2\u6570\u53cd\u6f14\u6d41\u7a0b<\/p>\n\n\n\n<p>\u56fe1\u7cfb\u7edf\u5c55\u793a\u4e86\u672c\u7814\u7a76\u5de5\u4f5c\u7684\u6574\u4f53\u6280\u672f\u8def\u7ebf\u3002\u9996\u5148\uff0c\u4eceStanford\u5feb\u5145\u7535\u6c60\u6570\u636e\u96c6\uff08MATR\uff09\u51fa\u53d1\uff0c\u5bf9\u5b9e\u9a8c\u5bb9\u91cf\u8870\u51cf\u8f68\u8ff9\u8fdb\u884c\u9636\u6bb5\u5212\u5206\uff0c\u4ece\u5b9e\u9a8c\u5bb9\u91cf\u8870\u51cf\u8f68\u8ff9\u4e2d\u63d0\u53d6\u65e9\u671f\u9000\u5316\u659c\u7387 <em>k<\/em><em><sub><em><sub>1<\/sub><\/em><\/sub><\/em>\u3001\u4e2d\u671f\u9000\u5316\u659c\u7387<em>k<\/em><em><sub><em><sub>2<\/sub><\/em><\/sub><\/em>&nbsp;\u4ee5\u53ca\u819d\u70b9\u4f4d\u7f6e&nbsp;(<img loading=\"lazy\" decoding=\"async\" width=\"7\" height=\"39\" src=\"\">)\u3002\u968f\u540e\uff0c\u5229\u7528PyBaMM\u7269\u7406\u6a21\u578b\u6784\u5efa\u5305\u542bSEI\u751f\u957f\u548c\u9502\u6790\u51fa\u673a\u5236\u7684\u5408\u6210\u9000\u5316\u6570\u636e\u96c6\uff0c\u5e76\u5efa\u7acb\u5b9e\u9a8c\u53ef\u89c2\u6d4b\u9000\u5316\u7279\u5f81\u4e0e\u5185\u90e8\u9000\u5316\u53c2\u6570\u4e4b\u95f4\u7684\u6620\u5c04\u5173\u7cfb\u3002\u5728\u6b64\u57fa\u7840\u4e0a\uff0c\u5206\u522b\u91c7\u7528\u7ebf\u6027\u56de\u5f52\u548cXGBoost\u6a21\u578b\u5bf9\u4e0d\u540c\u9000\u5316\u9636\u6bb5\u7684\u5173\u952e\u7269\u7406\u53c2\u6570\u8fdb\u884c\u53cd\u6f14\u3002\u6700\u540e\uff0c\u5c06\u53cd\u6f14\u5f97\u5230\u7684\u9000\u5316\u53c2\u6570\u91cd\u65b0\u8f93\u5165PyBaMM\u6a21\u578b\uff0c\u91cd\u6784\u5b9e\u9a8c\u5bb9\u91cf\u8870\u51cf\u8f68\u8ff9\uff0c\u5e76\u901a\u8fc7\u4e0e\u5b9e\u9a8c\u6570\u636e\u7684\u76f4\u63a5\u6bd4\u8f83\u5bf9\u6240\u63d0\u51fa\u65b9\u6cd5\u8fdb\u884c\u9a8c\u8bc1\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"700\" height=\"472\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2026\/08\/ce6e2814f207c93-6.png\" alt=\"\" class=\"wp-image-272787\"\/><\/figure>\n\n\n\n<p>\u56fe2. \u56fe2\u5c55\u793a\u4e86\u4e24\u9636\u6bb5\u9000\u5316\u7279\u5f81\u63d0\u53d6\u53ca\u5173\u952e\u53c2\u6570\u6620\u5c04\u7ed3\u679c\uff0c\u5176\u4e2d(a)\u4e3a\u5b9e\u9a8c\u5bb9\u91cf\u8870\u51cf\u66f2\u7ebf\u7684\u4e24\u9636\u6bb5\u7ebf\u6027\u5206\u6bb5\u53ca <em>k<\/em><em><sub><em><sub>1<\/sub><\/em><\/sub><\/em><em>\u3001k<\/em><em><sub><em><sub>2<\/sub><\/em><\/sub><\/em>&nbsp;\u4ee5\u53ca\u819d\u70b9&nbsp;(<img loading=\"lazy\" decoding=\"async\" width=\"32\" height=\"20\" src=\"\">)&nbsp;\u7684\u63d0\u53d6\uff0c(b)\u4e3a\u65e9\u671f\u9000\u5316\u659c\u7387 <em>k<\/em><em><sub><em><sub>1<\/sub><\/em><\/sub><\/em><em><sub><em><sub>&nbsp;<\/sub><\/em><\/sub><\/em>\u4e0e (<em>j<\/em><em><sub><em><sub>sei<\/sub><\/em><\/sub><\/em>),\u7684\u5173\u7cfb\uff0c(c)\u4e3a\u540e\u671f\u9000\u5316\u659c\u7387 <em>k<\/em><em><sub><em><sub>2<\/sub><\/em><\/sub><\/em>\u4e0e (<em>\u03b3<\/em>) \u7684\u5173\u7cfb\uff0c(d)\u4e3a\u7ebf\u6027\u56de\u5f52\u6a21\u578b\u5bf9 (<em>j<\/em><em><sub><em><sub>sei<\/sub><\/em><\/sub><\/em>)&nbsp;\u7684\u9884\u6d4b\u7ed3\u679c\uff0c(e)\u4e3aXGBoost\u6a21\u578b\u5bf9 (<em>\u03b3<\/em>)&nbsp;\u7684\u9884\u6d4b\u7ed3\u679c\uff0c(f)\u4e3a (<em>\u03b3<\/em>) \u9884\u6d4b\u7ed3\u679c\u5bf9\u5e94\u7684\u6b8b\u5dee\u5206\u5e03\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"450\" height=\"589\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2026\/08\/7f88dbbcaa77a1d-6.png\" alt=\"\" class=\"wp-image-272788\"\/><\/figure>\n\n\n\n<p>\u56fe3.&nbsp;\u5c55\u793a\u4e86\u91c7\u7528\u53cd\u6f14\u9000\u5316\u53c2\u6570\u8fdb\u884cPyBaMM\u6a21\u62df\u540e\u4e0eMATR\u5b9e\u9a8c\u5bb9\u91cf\u8870\u51cf\u66f2\u7ebf\u7684\u5bf9\u6bd4\u7ed3\u679c\uff0c\u5176\u4e2d(a)\u2013(c)\u5206\u522b\u5bf9\u5e94MSE\u6700\u4f4e\u7684\u4e09\u4e2a\u4ee3\u8868\u6027\u6837\u672c,b1c11\u3001b1c25\u548cb1c28\uff0c\u4e0a\u65b9\u4e3aPyBaMM\u6a21\u62df\u7ed3\u679c\u4e0e\u5b9e\u9a8c\u5bb9\u91cf\u8870\u51cf\u66f2\u7ebf\u7684\u76f4\u63a5\u6bd4\u8f83\uff0c\u4e0b\u65b9\u4e3a\u76f8\u5e94\u7684\u6b8b\u5dee\u5206\u5e03\u3002<\/p>\n\n\n\n<p>\u56fe3\u5c55\u793a\u4e86\u57fa\u4e8e\u53cd\u6f14\u9000\u5316\u53c2\u6570\u5f97\u5230\u7684PyBaMM\u6a21\u62df\u7ed3\u679c\u4e0eMATR\u5b9e\u9a8c\u5bb9\u91cf\u8870\u51cf\u8f68\u8ff9\u4e4b\u95f4\u7684\u5bf9\u6bd4\u3002\u6574\u4f53\u6765\u770b\uff0c\u6a21\u578b\u80fd\u591f\u8f83\u597d\u5730\u91cd\u6784\u5b9e\u9a8c\u7535\u6c60\u7684\u4e24\u9636\u6bb5\u9000\u5316\u884c\u4e3a\uff0c\u5176\u4e2d\u65e9\u671f\u8fd1\u7ebf\u6027\u9000\u5316\u9636\u6bb5\u66f4\u5bb9\u6613\u901a\u8fc7\u53cd\u6f14\u5f97\u5230\u7684SEI\u76f8\u5173\u53c2\u6570\u8fdb\u884c\u51c6\u786e\u63cf\u8ff0\uff0c\u800c\u7b2c\u4e8c\u9636\u6bb5\u867d\u7136\u5728\u6574\u4f53\u8d8b\u52bf\u4e0a\u4e0e\u5b9e\u9a8c\u7ed3\u679c\u4fdd\u6301\u8f83\u597d\u4e00\u81f4\uff0c\u4f46\u5176\u5b9a\u91cf\u8bef\u5dee\u76f8\u5bf9\u66f4\u5927\u3002\u6b8b\u5dee\u5206\u6790\u8fdb\u4e00\u6b65\u63ed\u793a\u4e86\u8fd9\u4e00\u5dee\u5f02\uff1a\u7b2c\u4e00\u9636\u6bb5\u7684\u6b8b\u5dee\u6574\u4f53\u8f83\u5c0f\u4e14\u5206\u5e03\u8f83\u4e3a\u5747\u5300\uff0c\u800c\u5728\u7b2c\u4e8c\u9636\u6bb5\u7684\u8d77\u59cb\u548c\u672b\u7aef\u9644\u8fd1\u51fa\u73b0\u4e86\u4e24\u4e2a\u8f83\u4e3a\u660e\u663e\u7684\u504f\u5dee\u533a\u57df\u3002\u8fd9\u4e9b\u5c40\u90e8\u8bef\u5dee\u8868\u660e\uff0c\u76f8\u8f83\u4e8e\u65e9\u671f\u7ebf\u6027\u9000\u5316\u9636\u6bb5\uff0c\u540e\u671f\u975e\u7ebf\u6027\u8f6c\u53d8\u884c\u4e3a\u66f4\u52a0\u590d\u6742\uff0c\u5176\u6f14\u5316\u53d7\u5230\u6301\u7eedSEI\u751f\u957f\u3001\u9502\u6790\u51fa\u4ee5\u53ca\u819d\u70b9\u5904\u7535\u6c60\u8001\u5316\u72b6\u6001\u7b49\u591a\u79cd\u56e0\u7d20\u8026\u5408\u4f5c\u7528\u7684\u5f71\u54cd\uff0c\u56e0\u6b64\u4e5f\u5177\u6709\u66f4\u9ad8\u7684\u53c2\u6570\u53cd\u6f14\u96be\u5ea6\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"450\" height=\"648\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2026\/08\/4e9a0ba2491dfde-6.png\" alt=\"\" class=\"wp-image-272789\"\/><\/figure>\n\n\n\n<p>\u56fe4.&nbsp;\u5c55\u793a\u4e86\u4e0d\u540c\u9884\u6d4b\u7cbe\u5ea6\u4e0bPyBaMM\u6a21\u62df\u7ed3\u679c\u4e0eMATR\u5b9e\u9a8c\u5bb9\u91cf\u8870\u51cf\u8f68\u8ff9\u53caXGBoost\u4e0d\u786e\u5b9a\u6027\u533a\u95f4\u7684\u5bf9\u6bd4\uff0c\u5176\u4e2d(a)\u2013(c)\u5206\u522b\u5bf9\u5e94\u4f4e\u3001\u4e2d\u3001\u9ad8\u9884\u6d4b\u7cbe\u5ea6\u7684\u4ee3\u8868\u6027\u6837\u672cb1c4\u3001b1c7\u548cb1c34\uff0c\u4e0a\u65b9\u4e3a\u6a21\u62df\u66f2\u7ebf\u3001\u5b9e\u9a8c\u66f2\u7ebf\u53ca\u4e0d\u786e\u5b9a\u6027\u533a\u95f4\uff0c\u4e0b\u65b9\u4e3a\u5b9e\u9a8c\u6570\u636e\u843d\u5165\u4e0d\u786e\u5b9a\u6027\u533a\u95f4\u7684\u7d2f\u79ef\u8986\u76d6\u7387\uff0c\u5176\u8986\u76d6\u7387\u5206\u522b\u4e3a93.9%\u300124.3%\u548c13.6%\u3002<\/p>\n\n\n\n<p>\u56fe4\u603b\u7ed3\u4e86\u4e0d\u540c\u9884\u6d4b\u7cbe\u5ea6\u4e0bPyBaMM\u6a21\u62df\u7ed3\u679c\u4e0eMATR\u5b9e\u9a8c\u9000\u5316\u8f68\u8ff9\u4e4b\u95f4\u7684\u5bf9\u6bd4\uff0c\u5e76\u8fdb\u4e00\u6b65\u5c55\u793a\u4e86XGBoost\u6a21\u578b\u5728\u9502\u6790\u51fa\u76f8\u5173\u9636\u6bb5\u7684\u4e0d\u786e\u5b9a\u6027\u91cf\u5316\u7ed3\u679c\u3002\u503c\u5f97\u5173\u6ce8\u7684\u662f\uff0c\u968f\u7740\u9884\u6d4b\u7cbe\u5ea6\u964d\u4f4e\uff0c\u6a21\u578b\u7ed9\u51fa\u7684\u4e0d\u786e\u5b9a\u6027\u533a\u95f4\u6574\u4f53\u5448\u73b0\u589e\u5bbd\u8d8b\u52bf\uff0c\u5176\u7d2f\u79ef\u8986\u76d6\u7387\u5728\u4f4e\u3001\u4e2d\u3001\u9ad8\u7cbe\u5ea6\u6848\u4f8b\u4e2d\u5206\u522b\u8fbe\u523093.9%\u300124.3%\u548c13.6%\u3002\u5176\u4e2d\uff0c\u5728\u9884\u6d4b\u8bef\u5dee\u8f83\u5927\u7684\u6848\u4f8b\u4e2d\uff0c\u8f83\u5bbd\u7684\u4e0d\u786e\u5b9a\u6027\u533a\u95f4\u4ecd\u80fd\u591f\u8986\u76d6\u5b9e\u9a8c\u9000\u5316\u8f68\u8ff9\u7684\u4e3b\u8981\u8303\u56f4\uff0c\u8868\u660e\u4e0d\u786e\u5b9a\u6027\u91cf\u5316\u80fd\u591f\u6709\u6548\u53cd\u6620\u6a21\u578b\u9884\u6d4b\u7684\u53ef\u9760\u7a0b\u5ea6\u3002\u8be5\u7ed3\u679c\u8fdb\u4e00\u6b65\u8bf4\u660e\uff0c\u5728\u771f\u5b9e\u7535\u6c60\u9000\u5316\u673a\u5236\u8f83\u4e3a\u590d\u6742\u3001\u8f83\u5bbd\u7684\u4e0d\u786e\u5b9a\u6027\u533a\u95f4\u80fd\u591f\u66f4\u597d\u5730\u8986\u76d6\u5b9e\u9a8c\u9000\u5316\u8f68\u8ff9\uff0c\u4e3a\u5b9e\u9a8c\u7ed3\u679c\u63d0\u4f9b\u66f4\u5408\u7406\u7684\u62df\u5408\u8303\u56f4\uff0c\u4ece\u800c\u63d0\u9ad8\u53c2\u6570\u53cd\u6f14\u7684\u53ef\u9760\u6027\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"700\" height=\"400\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2026\/08\/b14210e1ee30421-4.png\" alt=\"\" class=\"wp-image-272790\"\/><\/figure>\n\n\n\n<p>\u56fe5. 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