{"id":39249,"date":"2025-03-06T23:02:01","date_gmt":"2025-03-06T15:02:01","guid":{"rendered":"https:\/\/17aitech.com\/?p=39249"},"modified":"2025-03-06T23:02:01","modified_gmt":"2025-03-06T15:02:01","slug":"science%e5%ad%90%e5%88%8a%ef%bc%8cai%e4%b8%8e%e7%94%9f%e7%89%a9%e7%89%a9%e7%90%86%e5%bb%ba%e6%a8%a1%e7%9b%b8%e7%bb%93%e5%90%88%ef%bc%8c%e8%ae%be%e8%ae%a1%e6%96%b0%e5%9e%8b%e8%9b%8b%e7%99%bd%e8%b4%a8","status":"publish","type":"post","link":"https:\/\/17aitech.com\/?p=39249","title":{"rendered":"Science\u5b50\u520a\uff0cAI\u4e0e\u751f\u7269\u7269\u7406\u5efa\u6a21\u76f8\u7ed3\u5408\uff0c\u8bbe\u8ba1\u65b0\u578b\u86cb\u767d\u8d28"},"content":{"rendered":"

\u6587\u7ae0\u6765\u6e90\u4e8e\u4e92\u8054\u7f51:Science\u5b50\u520a\uff0cAI\u4e0e\u751f\u7269\u7269\u7406\u5efa\u6a21\u76f8\u7ed3\u5408\uff0c\u8bbe\u8ba1\u65b0\u578b\u86cb\u767d\u8d28<\/a><\/p>\n

<\/a><\/section>\n

\u7f16\u8f91 | \u841d\u535c\u76ae<\/p>\n

\u673a\u5668\u5b66\u4e60 (ML) \u6b63\u5728\u6539\u53d8\u8ba1\u7b97\u86cb\u767d\u8d28\u8bbe\u8ba1\u7684\u4e16\u754c\uff0c\u6570\u636e\u9a71\u52a8\u65b9\u6cd5\u5728\u5b9e\u9a8c\u6210\u529f\u7387\u65b9\u9762\u8d85\u8d8a\u4e86\u57fa\u4e8e\u751f\u7269\u7269\u7406\u7684\u65b9\u6cd5\u3002\u7136\u800c\uff0c\u5b83\u4eec\u901a\u5e38\u88ab\u62a5\u544a\u4e3a\u6848\u4f8b\u7814\u7a76\uff0c\u7f3a\u4e4f\u6574\u5408\u548c\u6807\u51c6\u5316\uff0c\u56e0\u6b64\u5f88\u96be\u8fdb\u884c\u5ba2\u89c2\u6bd4\u8f83\u3002<\/p>\n

\u5728\u6700\u65b0\u7684\u7814\u7a76\u4e2d\uff0c\u5fb7\u56fd\u83b1\u6bd4\u9521\u5927\u5b66\uff08Leipzig University\uff09\u7684\u8de8\u5b66\u79d1\u7814\u7a76\u56e2\u961f\u5728 Rosetta \u8f6f\u4ef6\u6846\u67b6\u5185\u5efa\u7acb\u4e86\u4e00\u4e2a\u7cbe\u7b80\u4e14\u591a\u6837\u5316\u7684\u5de5\u5177\u7bb1\uff0c\u7528\u4e8e\u9884\u6d4b\u6c28\u57fa\u9178\u6982\u7387\u7684\u65b9\u6cd5\uff0c\u4ee5\u4fbf\u5bf9\u8fd9\u4e9b\u6a21\u578b\u8fdb\u884c\u5e76\u6392\u6bd4\u8f83\u3002\u968f\u540e\uff0c\u73b0\u6709\u7684\u86cb\u767d\u8d28\u9002\u5e94\u5ea6\u666f\u89c2\u88ab\u7528\u4e8e\u5728\u73b0\u5b9e\u86cb\u767d\u8d28\u8bbe\u8ba1\u73af\u5883\u4e2d\u5bf9\u65b0\u578b ML \u65b9\u6cd5\u8fdb\u884c\u57fa\u51c6\u6d4b\u8bd5\u3002<\/p>\n

\u8fd9\u79cd\u521b\u65b0\u7b56\u7565\u53ef\u5e94\u7528\u4e8e\u5f00\u53d1\u65b0\u7597\u6cd5\uff0c\u4f8b\u5982\u6297\u4f53\u548c\u75ab\u82d7\uff0c\u5305\u62ec\u7528\u4e8e\u5927\u6d41\u884c\u9632\u8303\u7684\u7597\u6cd5\u3002\u300c\u6211\u4eec\u8feb\u5207\u9700\u8981\u5236\u5b9a\u6b64\u7c7b\u6a21\u578b\u7684\u63cf\u8ff0\u548c\u53ef\u7528\u6027\u6807\u51c6\u3002\u300d\u8be5\u7814\u7a76\u7684\u8d1f\u8d23\u4eba\u4e4b\u4e00 Clara Schoeder \u6559\u6388\u8868\u793a\uff0c\u300c\u6211\u4eec\u7684\u7814\u7a76\u4e3a\u5b9e\u73b0\u8fd9\u4e00\u76ee\u6807\u505a\u51fa\u4e86\u91cd\u8981\u8d21\u732e\u3002\u300d<\/p>\n

\u8be5\u56e2\u961f\u4e13\u6ce8\u4e8e\u86cb\u767d\u8d28\u8bbe\u8ba1\u7684\u4f20\u7edf\u95ee\u9898\uff1a\u91c7\u6837\u548c\u8bc4\u5206\u3002\u4ed6\u4eec\u53d1\u73b0\uff0c\u673a\u5668\u5b66\u4e60\u65b9\u6cd5\u66f4\u5584\u4e8e\u6e05\u9664\u91c7\u6837\u7a7a\u95f4\u4e2d\u7684\u6709\u5bb3\u7a81\u53d8\u3002\u7136\u800c\uff0c\u672a\u7ecf\u6a21\u578b\u5fae\u8c03\u7684\u8bc4\u5206\u7ed3\u679c\u4e0e\u4f7f\u7528 Rosetta \u7684\u8bc4\u5206\u76f8\u6bd4\u5e76\u6ca1\u6709\u660e\u663e\u6539\u5584\u3002\u5f97\u51fa\u7684\u7ed3\u8bba\u662f\uff0c\u673a\u5668\u5b66\u4e60\u73b0\u5728\u8865\u5145\u4e86\u86cb\u767d\u8d28\u8bbe\u8ba1\u4e2d\u7684\u751f\u7269\u7269\u7406\u65b9\u6cd5\uff0c\u800c\u4e0d\u662f\u66ff\u4ee3\u5b83\u4eec\u3002<\/p>\n

\u8be5\u7814\u7a76\u4ee5\u300cSelf-supervised machine learning methods for protein design improve sampling but not the identification of high-fitness variants<\/em>\u300d\u4e3a\u9898\uff0c\u4e8e 2025 \u5e74 2 \u6708 12 \u65e5\u53d1\u5e03\u5728\u300aScience Advances<\/em>\u300b\u3002<\/p>\n

<\/a><\/section>\n

\u86cb\u767d\u8d28\u7684\u8ba1\u7b97\u8bbe\u8ba1\u4e0e\u5de5\u7a0b\u662f\u79d1\u5b66\u754c\u7684\u957f\u671f\u76ee\u6807\uff0c\u65e8\u5728\u5feb\u901f\u751f\u6210\u65b0\u578b\u86cb\u767d\u8d28\u836f\u7269\u548c\u6750\u6599\u3002\u4f20\u7edf\u65b9\u6cd5\u5982 Rosetta \u901a\u8fc7\u5e8f\u5217\u7a81\u53d8\u3001\u7ed3\u6784\u9884\u6d4b\u548c\u4f18\u5316\u7b49\u5de5\u5177\u6210\u529f\u8bbe\u8ba1\u4e86\u591a\u79cd\u86cb\u767d\u8d28\uff0c\u800c RosettaScripts \u548c PyRosetta \u6846\u67b6\u8fdb\u4e00\u6b65\u7b80\u5316\u4e86\u534f\u8bae\u5f00\u53d1\u3002\u7136\u800c\uff0c\u86cb\u767d\u8d28\u5e8f\u5217\u8bbe\u8ba1\u4ecd\u9762\u4e34\u91c7\u6837\u548c\u8bc4\u5206\u4e24\u5927\u6838\u5fc3\u95ee\u9898\u3002<\/p>\n

\u8fd1\u5e74\u6765\uff0cML \u65b9\u6cd5\u5728\u86cb\u767d\u8d28\u7ed3\u6784\u9884\u6d4b\u3001\u5e8f\u5217\u8bbe\u8ba1\u548c\u5de5\u7a0b\u4e2d\u53d6\u5f97\u7a81\u7834\uff0c\u5982 ProteinMPNN \u548c\u86cb\u767d\u8d28\u8bed\u8a00\u6a21\u578b\uff08PLMs\uff09\u5728\u7eb3\u7c73\u6750\u6599\u8bbe\u8ba1\u548c\u6297\u4f53\u4f18\u5316\u4e2d\u8868\u73b0\u51fa\u8272\u3002\u5c3d\u7ba1\u5982\u6b64\uff0cML \u6a21\u578b\u662f\u5426\u4f18\u4e8e\u7ecf\u5178\u751f\u7269\u7269\u7406\u8bbe\u8ba1\u7b97\u6cd5\u4ecd\u5b58\u7591\uff0c\u4e14\u590d\u6742\u7684\u591a\u8f6f\u4ef6\u7ba1\u9053\u6613\u5bfc\u81f4\u6280\u672f\u503a\u52a1\u548c\u53ef\u91cd\u590d\u6027\u95ee\u9898\u3002<\/p>\n

\u4e3a\u6b64\uff0c\u79d1\u5b66\u5bb6\u901a\u8fc7\u5c06 ESM PLM \u5bb6\u65cf\u5d4c\u5165 Rosetta\uff0c\u5229\u7528 C++ Tensorflow \u548c LibTorch \u5e93\u4f18\u5316\u63a5\u53e3\uff0c\u4ee5\u63d0\u5347\u6a21\u578b\u7684\u53ef\u6bd4\u6027\u548c\u53ef\u79fb\u690d\u6027\u3002<\/p>\n

\u5728\u65b0\u7684\u7814\u7a76\u4e2d\uff0c\u83b1\u6bd4\u9521\u5927\u5b66\u7684\u7814\u7a76\u56e2\u961f\u6d4b\u8bd5\u4e86\u65b0\u578b\u81ea\u76d1\u7763\u673a\u5668\u5b66\u4e60\u65b9\u6cd5\u662f\u5426\u4f18\u4e8e Rosetta \u7b49\u57fa\u4e8e\u751f\u7269\u7269\u7406\u7684\u65b9\u6cd5\uff0c\u5e76\u786e\u5b9a\u4e86\u8bbe\u8ba1\u9879\u76ee\u7684\u6700\u4f73\u5b9e\u8df5\u3002<\/p>\n

<\/a><\/section>\n

\u56fe\u793a\uff1aRosetta \u4e2d\u7684 ML \u652f\u6301\u6846\u67b6\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

\u4e3a\u6b64\uff0c\u7814\u7a76\u4eba\u5458\u5229\u7528\u73b0\u6709\u7684\u86cb\u767d\u8d28\u9002\u5e94\u5ea6\u666f\u89c2\u6570\u636e\u96c6\u5bf9\u8fd9\u4e9b\u5de5\u5177\u5728\u5e38\u89c1\u4efb\u52a1\uff08\u5982\u63d0\u9ad8\u86cb\u767d\u8d28\u7ed3\u5408\u4eb2\u548c\u529b\u6216\u9176\u6d3b\u6027\uff09\u4e0a\u8fdb\u884c\u57fa\u51c6\u6d4b\u8bd5\uff0c\u8bc4\u4f30\u5b83\u4eec\u5728\u96f6\u6837\u672c\u65b9\u6cd5\u4e2d\u65e0\u9700\u8fdb\u4e00\u6b65\u4e0b\u6e38\u8bad\u7ec3\u5373\u53ef\u6cdb\u5316\u7684\u80fd\u529b\u3002\u86cb\u767d\u8d28\u5de5\u7a0b\u6d3b\u52a8\u7684\u4e24\u4e2a\u4e3b\u8981\u76ee\u6807\u662f\u751f\u6210\u5019\u9009\u7269\uff08\u91c7\u6837\u7a81\u53d8\uff09\u7136\u540e\u5bf9\u8fd9\u4e9b\u5019\u9009\u7269\u8fdb\u884c\u6392\u5e8f\uff08\u8bc4\u5206\u7a81\u53d8\uff09\u3002<\/p>\n

\u56e0\u6b64\uff0c\u5728\u5927\u89c4\u6a21\u8bf1\u53d8\u6570\u636e\u96c6\u4e0a\u8bad\u7ec3\u9884\u6d4b\u6a21\u578b\uff08\u79f0\u4e3a\u300c\u9884\u8a00\u673a\u300d\uff09\uff0c\u4ee5\u5206\u6790 16 \u79cd\u4e0d\u540c\u65b9\u6848\u7684\u91c7\u6837\u548c\u8bc4\u5206\u884c\u4e3a\u3002\u7b80\u5355\u8bb2\uff0c\u4ed6\u4eec\u53d1\u73b0\uff0c\u5c3d\u7ba1 ML \u65b9\u6cd5\u5728\u6e05\u9664\u5e8f\u5217\u7a7a\u95f4\u4e2d\u7684\u6709\u5bb3\u7a81\u53d8\u65b9\u9762\u8868\u73b0\u66f4\u597d\uff0c\u4f46\u5bf9\u5f97\u5230\u7684\u5019\u9009\u5e8f\u5217\u8fdb\u884c\u8bc4\u5206\u548c\u6392\u5e8f\u4ecd\u7136\u662f\u86cb\u767d\u8d28\u8bbe\u8ba1\u4e2d\u7684\u4e00\u9879\u6311\u6218\u3002<\/p>\n

<\/a><\/section>\n

\u56fe\u793a\uff1a\u91c7\u6837\u7a81\u53d8\u4ee5\u63d0\u9ad8 GB1 \u7684\u9002\u5e94\u5ea6\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

\u300c\u6211\u4eec\u7684\u7814\u7a76\u7ed3\u679c\u8868\u660e\uff0c\u6ca1\u6709\u4efb\u4f55\u4e00\u79cd\u4eba\u5de5\u667a\u80fd\u6a21\u578b\u6216\u751f\u7269\u7269\u7406\u65b9\u6cd5\u80fd\u591f\u5b8c\u7f8e\u5730\u89e3\u51b3\u6240\u6709\u8bbe\u8ba1\u95ee\u9898\u3002\u300d\u8be5\u9879\u76ee\u7684\u8d1f\u8d23\u4eba\u4e4b\u4e00 Jens Meiler \u89e3\u91ca\u9053\uff0c\u300c\u672a\u6765\uff0c\u6211\u4eec\u5c06\u4e0d\u5f97\u4e0d\u4ed4\u7ec6\u8003\u8651\u5c06\u54ea\u79cd\u6a21\u578b\u7528\u4e8e\u54ea\u79cd\u76ee\u7684\u3002\u6211\u4eec\u7684\u5de5\u4f5c\u662f\u671d\u7740\u63d0\u9ad8\u4e0d\u540c\u65b9\u6cd5\u4e4b\u95f4\u7684\u53ef\u6bd4\u6027\u8fc8\u51fa\u7684\u7b2c\u4e00\u6b65\u3002\u300d<\/p>\n

\u5177\u4f53\u6765\u8bf4\u7814\u7a76\u4eba\u5458\u63a2\u7d22\u4e86\u81ea\u76d1\u7763\u673a\u5668\u5b66\u4e60\uff08ML\uff09\u65b9\u6cd5\u5728\u86cb\u767d\u8d28\u5de5\u7a0b\u4e2d\u7684\u5e8f\u5217\u91c7\u6837\u548c\u8bc4\u5206\u6027\u80fd\u3002\u901a\u8fc7\u5728\u5927\u578b\u86cb\u767d\u8d28\u9002\u5e94\u5ea6\u6570\u636e\u96c6\u4e0a\u8bad\u7ec3 oracle \u6a21\u578b\uff0c\u7814\u7a76\u4eba\u5458\u53d1\u73b0\u6570\u636e\u9a71\u52a8\u65b9\u6cd5\u5728\u9650\u5236\u5e8f\u5217\u7a7a\u95f4\u81f3\u65e0\u5bb3\u7a81\u53d8\u65b9\u9762\u4f18\u4e8e\u4f20\u7edf\u65b9\u6cd5\uff08\u5982 Rosetta\uff09\u3002<\/p>\n

\u7136\u800c\uff0c\u5c3d\u7ba1\u8fd9\u4e9b\u65b9\u6cd5\u80fd\u591f\u91c7\u6837\u9ad8\u9002\u5e94\u5ea6\u5e8f\u5217\uff0c\u4f46\u5176\u9884\u6d4b\u9002\u5e94\u5ea6\u503c\u4e0e\u5b9e\u9645\u503c\u76f8\u5173\u6027\u8f83\u4f4e\uff0c\u5bfc\u81f4\u96be\u4ee5\u7b5b\u9009\u51fa\u6700\u4f73\u5019\u9009\u5e8f\u5217\u8fdb\u884c\u5b9e\u9a8c\u9a8c\u8bc1\u3002<\/p>\n

\u8fd9\u8868\u660e\u91c7\u6837\u4e0e\u8bc4\u5206\u4e4b\u95f4\u5b58\u5728\u7d27\u5bc6\u5173\u8054\uff0c\u4e14\u8bc4\u5206\u6307\u6807\u7684\u4e0d\u5b8c\u6574\u6027\u53ef\u80fd\u5f71\u54cd\u7ed3\u679c\u3002\u4f7f\u7528\u66f4\u7cbe\u786e\u7684\u8bc4\u5206\u51fd\u6570\uff08\u5982\u57fa\u4e8e AF2 \u7684\u6307\u6807\uff09\u53ef\u80fd\u90e8\u5206\u7f13\u89e3\u8fd9\u4e00\u95ee\u9898\uff0c\u4f46\u5728\u590d\u6742\u6848\u4f8b\uff08\u5982 emibetuzumab \u8bbe\u8ba1\uff09\u4e2d\u6548\u679c\u6709\u9650\u3002<\/p>\n

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\u56fe\u793a\uff1a\u91c7\u6837\u7a81\u53d8\u7528\u4e8e\u6539\u5584 avGFP \u8367\u5149\u3002\uff08\u6765\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

\u7814\u7a76\u76ee\u6807\u662f\u627e\u5230\u81ea\u76d1\u7763 ML \u65b9\u6cd5\u7684\u6700\u4f73\u5b9e\u8df5\uff0c\u4ee5\u96f6\u6837\u672c\u65b9\u5f0f\u8bbe\u8ba1\u9ad8\u9002\u5e94\u5ea6\u86cb\u767d\u8d28\u53d8\u4f53\u3002\u7ed3\u679c\u663e\u793a\uff0c\u63d0\u9ad8\u91c7\u6837\u6e29\u5ea6\u53ef\u589e\u52a0\u591a\u6837\u6027\u5e76\u6269\u5c55\u9002\u5e94\u5ea6\u5206\u5e03\uff0c\u4f46\u672a\u53d1\u73b0\u5355\u4e00\u65b9\u6cd5\u5728\u6240\u6709\u6d4b\u8bd5\u7528\u4f8b\u4e2d\u8868\u73b0\u6700\u4f18\u3002<\/p>\n

\u57fa\u4e8e\u6b64\uff0c\u8be5\u56e2\u961f\u63d0\u51fa\u4e24\u79cd\u7b56\u7565\uff1a\u4e00\u662f\u901a\u8fc7\u4f4e\u6e29\u8fed\u4ee3\u91c7\u6837\u751f\u6210\u5c11\u91cf\u9ad8\u9002\u5e94\u5ea6\u53d8\u4f53\uff0c\u9002\u5408\u5b9e\u9a8c\u80fd\u529b\u6709\u9650\u7684\u60c5\u51b5\uff1b\u4e8c\u662f\u63d0\u9ad8\u91c7\u6837\u6e29\u5ea6\u751f\u6210\u5927\u91cf\u5019\u9009\u5e8f\u5217\uff0c\u9002\u5408\u9ad8\u901a\u91cf\u5b9e\u9a8c\u3002<\/p>\n

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<\/a><\/section>\n

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\u300c\u901a\u8fc7\u8fd9\u4e00\u8fdb\u5c55\uff0c\u6211\u4eec\u53ef\u4ee5\u5feb\u901f\u8f7b\u677e\u5730\u5c06\u4eba\u5de5\u667a\u80fd\u6a21\u578b\u4e0e\u4f20\u7edf\u65b9\u6cd5\u7ed3\u5408\u8d77\u6765\uff0c\u5e76\u5c06\u5b83\u4eec\u5e76\u5217\u4f7f\u7528\u3002\u300dMeiler \u6559\u6388\u89e3\u91ca\u9053\uff0c\u300c\u8fd9\u5927\u5927\u7b80\u5316\u4e86\u6211\u4eec\u7684\u5de5\u4f5c\uff0c\u8ba9\u6211\u4eec\u80fd\u591f\u5145\u5206\u5229\u7528\u8fc7\u53bb 20 \u5e74\u6765 Rosetta \u5f00\u53d1\u7684\u6240\u6709\u57fa\u7840\u8bbe\u65bd\u3002\u300d<\/p>\n

\u300c\u6211\u4eec\u6b63\u5728\u7814\u7a76\u54ea\u4e9b\u65b9\u6cd5\u53ef\u4ee5\u53ef\u9760\u5730\u63d0\u793a\u53ef\u80fd\u4ea7\u751f\u75ab\u82d7\u5019\u9009\u7269\u7684\u6c28\u57fa\u9178\u53d8\u5316\u3002\u300d Clara Schoeder \u6559\u6388\u8bf4\u3002<\/p>\n

\u8be5\u7814\u7a76\u7684\u5c40\u9650\u6027\u5728\u4e8e\u4f9d\u8d56\u8ba1\u7b97\u673a\u9a8c\u8bc1\uff0c\u4e14 oracle \u6a21\u578b\u8f83\u4e3a\u7b80\u5355\uff0c\u53ef\u80fd\u65e0\u6cd5\u6355\u6349\u590d\u6742\u7a81\u53d8\u5173\u7cfb\u3002<\/p>\n

\u672a\u6765\u7814\u7a76\u53ef\u7ed3\u5408\u4f20\u7edf\u65b9\u6cd5\uff08\u5982\u9176\u5de5\u7a0b\u6216\u6297\u4f53\u8bbe\u8ba1\uff09\u8fdb\u884c\u6bd4\u8f83\uff0c\u5e76\u63a2\u7d22\u76d1\u7763\u5f0f ML \u6a21\u578b\u76f4\u63a5\u9884\u6d4b\u86cb\u767d\u8d28\u9002\u5e94\u5ea6\u7684\u6f5c\u529b\u3002<\/p>\n

\u603b\u4f53\u800c\u8a00\uff0cML \u663e\u8457\u6539\u5584\u4e86\u5e8f\u5217\u91c7\u6837\uff0c\u4f46\u8bc4\u5206\u548c\u6392\u5e8f\u4ecd\u662f\u6311\u6218\u3002\u4e0d\u8fc7\uff0c\u7814\u7a76\u56e2\u961f\u4ecd\u7136\u4e50\u89c2\u5730\u8ba4\u4e3a\u4eba\u5de5\u667a\u80fd\u548c\u751f\u7269\u7269\u7406\u65b9\u6cd5\u7684\u7ed3\u5408\u5c06\u63d0\u9ad8\u86cb\u767d\u8d28\u8bbe\u8ba1\u7684\u6548\u7387\u3002<\/p>\n

\u8bba\u6587\u94fe\u63a5\uff1ahttps:\/\/www.science.org\/doi\/10.1126\/sciadv.adr7338<\/p>\n

\u76f8\u5173\u62a5\u9053\uff1ahttps:\/\/phys.org\/news\/2025-02-ai-biophysical-protein.html<\/p>\n

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