{"id":37644,"date":"2025-02-01T18:00:57","date_gmt":"2025-02-01T10:00:57","guid":{"rendered":"https:\/\/17aitech.com\/?p=37644"},"modified":"2025-02-01T18:00:57","modified_gmt":"2025-02-01T10:00:57","slug":"%e5%87%86%e7%a1%ae%e9%a2%84%e6%b5%8b%e8%9b%8b%e7%99%bd%e8%b4%a8%e5%8a%9f%e8%83%bd%e6%96%b0sota%ef%bc%8c%e4%b8%ad%e5%8d%97%e5%a4%a7%e5%ad%a6%e6%8e%a8%e5%87%ba%e5%85%a8%e6%96%b0%e6%b7%b1%e5%ba%a6","status":"publish","type":"post","link":"https:\/\/17aitech.com\/?p=37644","title":{"rendered":"\u51c6\u786e\u9884\u6d4b\u86cb\u767d\u8d28\u529f\u80fd\u65b0SOTA\uff0c\u4e2d\u5357\u5927\u5b66\u63a8\u51fa\u5168\u65b0\u6df1\u5ea6\u5b66\u4e60\u6a21\u578b\uff0c\u767bNature\u5b50\u520a"},"content":{"rendered":"

\u6587\u7ae0\u6765\u6e90\u4e8e\u4e92\u8054\u7f51:\u51c6\u786e\u9884\u6d4b\u86cb\u767d\u8d28\u529f\u80fd\u65b0SOTA\uff0c\u4e2d\u5357\u5927\u5b66\u63a8\u51fa\u5168\u65b0\u6df1\u5ea6\u5b66\u4e60\u6a21\u578b\uff0c\u767bNature\u5b50\u520a<\/a><\/p>\n

<\/a><\/p>\n

\u7f16\u8f91\u4e28&<\/p>\n

\u9884\u6d4b\u86cb\u767d\u8d28\u529f\u80fd\u7684\u8ba1\u7b97\u65b9\u6cd5\u5bf9\u4e8e\u7406\u89e3\u751f\u7269\u5b66\u673a\u5236\u548c\u6cbb\u7597\u590d\u6742\u75be\u75c5\u5177\u6709\u91cd\u8981\u610f\u4e49\u3002\u7136\u800c\uff0c\u73b0\u6709\u7684\u9884\u6d4b\u8ba1\u7b97\u65b9\u6cd5\u7f3a\u4e4f\u53ef\u89e3\u91ca\u6027\uff0c\u96be\u4ee5\u7406\u89e3\u86cb\u767d\u8d28\u7ed3\u6784\u548c\u529f\u80fd\u4e4b\u95f4\u7684\u5173\u7cfb\u3002<\/p>\n

\u5728\u7814\u7a76\u4e2d\uff0c\u6765\u81ea\u4e2d\u5357\u5927\u5b66\u7684\u56e2\u961f\u63d0\u51fa\u4e86\u4e00\u79cd\u57fa\u4e8e\u6df1\u5ea6\u5b66\u4e60\u7684\u89e3\u51b3\u65b9\u6848\uff0c\u540d\u4e3a DPFunc\uff0c\u7528\u4e8e\u4f7f\u7528\u57df\u5f15\u5bfc\u7684\u7ed3\u6784\u4fe1\u606f\u8fdb\u884c\u51c6\u786e\u7684\u86cb\u767d\u8d28\u529f\u80fd\u9884\u6d4b\u3002<\/p>\n

DPFunc \u53ef\u4ee5\u5728\u7ed3\u6784\u57df\u4fe1\u606f\u7684\u6307\u5bfc\u4e0b\u68c0\u6d4b\u86cb\u767d\u8d28\u7ed3\u6784\u4e2d\u7684\u91cd\u8981\u533a\u57df\u5e76\u51c6\u786e\u9884\u6d4b\u76f8\u5e94\u7684\u529f\u80fd\u3002\u5b83\u4f18\u4e8e\u5f53\u524d\u6700\u5148\u8fdb\u7684\u65b9\u6cd5\uff0c\u5e76\u4e0e\u73b0\u6709\u7684\u57fa\u4e8e\u7ed3\u6784\u7684\u65b9\u6cd5\u76f8\u6bd4\u53d6\u5f97\u4e86\u663e\u8457\u6539\u8fdb\u3002<\/p>\n

\u4ed6\u4eec\u7684\u7814\u7a76\u6210\u679c\u4ee5\u300cDPFunc: accurately predicting protein function via deep learning with domain-guided structure information\u300d\u4e3a\u9898\uff0c\u4e8e 2025 \u5e74 1 \u6708 2 \u65e5\u520a\u767b\u5728\u300aNature Communications\u300b\u3002<\/p>\n

<\/a><\/p>\n

\u8be6\u7ec6\u5206\u6790\u8868\u660e\uff0c\u7ed3\u6784\u57df\u4fe1\u606f\u7684\u5f15\u5bfc\u6709\u52a9\u4e8e DPFunc \u8fdb\u884c\u86cb\u767d\u8d28\u529f\u80fd\u9884\u6d4b\uff0c\u80fd\u591f\u68c0\u6d4b\u86cb\u767d\u8d28\u7ed3\u6784\u4e2d\u4e0e\u5176\u529f\u80fd\u5bc6\u5207\u76f8\u5173\u7684\u5173\u952e\u6b8b\u57fa\u6216\u533a\u57df\u3002\u6545\u800c\uff0c\u8be5\u65b9\u6cd5\u662f\u5927\u89c4\u6a21\u86cb\u767d\u8d28\u529f\u80fd\u9884\u6d4b\u7684\u6709\u6548\u5de5\u5177\u3002<\/p>\n

DPFunc \u6982\u8ff0<\/strong><\/p>\n

DPFunc \u662f\u4e00\u79cd\u57fa\u4e8e\u6df1\u5ea6\u5b66\u4e60\u7684\u65b9\u6cd5\uff0c\u7528\u4e8e\u4f7f\u7528\u57df\u5f15\u5bfc\u7ed3\u6784\u4fe1\u606f\u8fdb\u884c\u86cb\u767d\u8d28\u529f\u80fd\u9884\u6d4b\u3002<\/p>\n

\u5b83\u7531\u4e09\u4e2a\u6a21\u5757\u7ec4\u6210\uff1a\u57fa\u4e8e\u9884\u5148\u8bad\u7ec3\u7684\u86cb\u767d\u8d28\u8bed\u8a00\u6a21\u578b\u548c\u56fe\u795e\u7ecf\u7f51\u7edc\u7684\u6b8b\u57fa\u7ea7\u7279\u5f81\u5b66\u4e60\u6a21\u5757\uff1b\u86cb\u767d\u8d28\u6c34\u5e73\u7279\u5f81\u5b66\u4e60\u6a21\u5757\uff1b\u86cb\u767d\u8d28\u529f\u80fd\u9884\u6d4b\u6a21\u5757\u3002<\/p>\n

<\/a><\/p>\n

\u56fe 1\uff1aDPFunc \u7684\u6a21\u578b\u67b6\u6784\u3002\uff08\u56fe\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

\u6b8b\u57fa\u6c34\u5e73\u7279\u5f81\u5b66\u4e60\u6a21\u5757\u5c06\u86cb\u767d\u8d28\u5e8f\u5217\u548c\u7ed3\u6784\u4f5c\u4e3a\u8f93\u5165\u3002\u5b83\u9996\u5148\u4ece\u9884\u8bad\u7ec3\u7684\u86cb\u767d\u8d28\u8bed\u8a00\u6a21\u578b\uff08ESM-1b\uff09\u4e2d\u4e3a\u6bcf\u4e2a\u6b8b\u57fa\u751f\u6210\u521d\u59cb\u7279\u5f81\uff0c\u6839\u636e\u76f8\u5e94\u7684\u86cb\u767d\u8d28\u7ed3\u6784\u6784\u5efa\u63a5\u89e6\u56fe\u3002\u968f\u540e\uff0c\u8fd9\u4e9b\u63a5\u89e6\u56fe\u548c\u6b8b\u57fa\u5c42\u7279\u5f81\u88ab\u8fdb\u4e00\u6b65\u9988\u9001\u5230\u51e0\u4e2a\u56fe\u795e\u7ecf\u7f51\u7edc\uff08GCN\uff09\u5c42\u4e2d\uff0c\u4ee5\u66f4\u65b0\u548c\u5b66\u4e60\u6700\u7ec8\u7684\u6b8b\u57fa\u5c42\u7279\u5f81\u3002<\/p>\n

\u4e3a\u4e86\u8bc4\u4f30\u4e0d\u540c\u6b8b\u57fa\u7684\u91cd\u8981\u6027\uff0c\u53d7 transformer \u7ed3\u6784\u7684\u542f\u53d1\uff0c\u56e2\u961f\u5f15\u5165\u4e86\u4e00\u79cd\u6ce8\u610f\u529b\u673a\u5236\uff0c\u5c06\u86cb\u767d\u8d28\u6c34\u5e73\u7684\u7ed3\u6784\u57df\u7279\u5f81\u548c\u6b8b\u57fa\u6c34\u5e73\u7279\u5f81\u4ea4\u7ec7\u5728\u4e00\u8d77\uff0c\u4ece\u800c\u68c0\u6d4b\u6bcf\u4e2a\u6b8b\u57fa\u7684\u91cd\u8981\u6027\u3002<\/p>\n

\u9884\u6d4b\u7ed3\u679c\u901a\u8fc7\u901a\u7528\u7684\u540e\u5904\u7406\u7a0b\u5e8f\u8fdb\u884c\u5904\u7406\uff0c\u4ee5\u786e\u4fdd\u4e0e\u57fa\u56e0\u672c\u4f53\u8bba\uff08GO\uff09\u9879\u7ed3\u6784\u7684\u4e00\u81f4\u6027\u3002<\/p>\n

\u4e3a\u4e86\u83b7\u5f97\u6a21\u578b\u7684\u6027\u80fd\uff0c\u56e2\u961f\u5c06\u5176\u4e0e\u4e0e\u4ec5\u57fa\u4e8e\u5e8f\u5217\u548c\u4e24\u79cd\u57fa\u4e8e\u7ed3\u6784\u7684\u65b9\u6cd5\u8fdb\u884c\u516c\u5e73\u6bd4\u8f83\u3002\u4ed6\u4eec\u91c7\u7528\u4e86\u4ee5\u524d\u4f7f\u7528\u8fc7\u7684\u6570\u636e\u96c6\uff0c\u5728\u5176\u4ed6\u6a21\u578b\u5e73\u5747\u5f97\u5206\u8fd1\u4f3c\u7684\u60c5\u51b5\u4e0b\uff0c\u65b0\u6a21\u578b\u7684\u6027\u80fd\u8d85\u8fc7\u4e86\u73b0\u6709\u6a21\u578b\u4e00\u5927\u622a\u3002\u8fd9\u4e00\u53d1\u73b0\u8868\u660e\uff0c\u86cb\u767d\u8d28\u5e8f\u5217\u4e2d\u5305\u542b\u7684\u7ed3\u6784\u57df\u4fe1\u606f\u4e3a\u86cb\u767d\u8d28\u529f\u80fd\u9884\u6d4b\u63d0\u4f9b\u4e86\u6709\u4ef7\u503c\u7684\u89c1\u89e3\u3002<\/p>\n

\u6a21\u578b\u6027\u80fd\u5206\u6790<\/strong><\/p>\n

\u56e2\u961f\u6839\u636e\u4e0d\u540c\u7684\u65f6\u95f4\u6233\u5c06\u5927\u89c4\u6a21\u6570\u636e\u96c6\u5212\u5206\u4e3a\u8bad\u7ec3\u96c6\u3001\u9a8c\u8bc1\u96c6\u548c\u6d4b\u8bd5\u96c6\u3002\u4e0e\u4ee5\u524d\u4f7f\u7528\u7684 PDB \u6570\u636e\u96c6\u4e0d\u540c\uff0c\u8fd9\u4e2a\u5927\u89c4\u6a21\u6570\u636e\u96c6\u5305\u542b\u66f4\u591a\u7684\u86cb\u767d\u8d28\u548c\u76f8\u5e94\u7684\u9644\u52a0\u4fe1\u606f\u3002<\/p>\n

\u4e3a\u4e86\u786e\u4fdd\u516c\u5e73\u7684\u6bd4\u8f83\uff0c\u6807\u51c6\u5316\u7684\u65b9\u5f0f\u88ab\u5e94\u7528\u4e8e\u540e\u7eed\u7684\u6240\u6709\u5904\u7406\u8fc7\u7a0b\u3002<\/p>\n

<\/a><\/p>\n

\u56fe 2\uff1a\u6a21\u578b\u6027\u80fd\u7684\u8be6\u7ec6\u5206\u6790\uff08\u56fe\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

\u9664\u4e86\u6574\u4f53\u6027\u80fd\u4e4b\u5916\uff0cDPFunc \u8fd8\u64c5\u957f\u9884\u6d4b\u5177\u6709\u9ad8 IC \u503c\u7279\u5f81\u7684\u4fe1\u606f\u6027 GO \u9879\u3002\u7531\u4e8e\u8fd9\u4e9b\u9879\u51fa\u73b0\u6b21\u6570\u5c11\u4e14\u8bad\u7ec3\u6837\u672c\u6709\u9650\uff0c\u56e0\u6b64\u5e26\u6765\u4e86\u66f4\u5927\u7684\u6311\u6218\u3002\u5728\u9884\u6d4b\u6837\u672c\u8f83\u5c11\u7684 GO \u9879\u65f6\uff0cDPFunc \u7684\u6027\u80fd\u59cb\u7ec8\u4f18\u4e8e\u5176\u4ed6\u65b9\u6cd5\u3002<\/p>\n

DPFunc \u8868\u73b0\u51fa\u4f18\u4e8e SOTA \u65b9\u6cd5\u7684\u660e\u663e\u4f18\u52bf\uff0c\u7279\u522b\u662f\u5b83\u80fd\u591f\u5904\u7406\u5177\u6709\u4f4e\u5e8f\u5217\u540c\u4e00\u6027\u7684\u4e0d\u53ef\u89c1\u86cb\u767d\u8d28\u3001\u5177\u6709\u9ad8 IC \u503c\u7684\u4fe1\u606f\u6027 GO \u9879\u4ee5\u53ca\u5177\u6709\u66f4\u6df1\u8282\u70b9\u7684\u7279\u5b9a GO \u9879\u3002<\/p>\n

\u4e3a\u4e86\u660e\u786e\u8bc1\u660e\u57df\u4fe1\u606f\u5728 DPFunc \u4e2d\u7684\u5173\u952e\u4f5c\u7528\uff0c\u56e2\u961f\u91c7\u7528\u5e73\u5747\u6c60\u5316\u5c42\u66ff\u6362\u4e86\u57df\u6ce8\u610f\u529b\u5757\u3002\u51ed\u501f\u9886\u57df\u6d1e\u5bdf\u529b\uff0cDPFunc \u7684\u51e0\u4e2a\u6a21\u5757\u4e2d\u7684 AUPR \u4e2d\u4f4d\u6570\u5206\u522b\u63d0\u9ad8\u4e86 12.0%\u300114.7% \u548c 16.3%\u3002\u8fd9\u4e9b\u7ed3\u679c\u660e\u786e\u8bc1\u5b9e\u4e86\u6574\u5408\u7ed3\u6784\u57df\u4fe1\u606f\u8fdb\u884c\u86cb\u767d\u8d28\u529f\u80fd\u9884\u6d4b\u7684\u65e0\u4e0e\u4f26\u6bd4\u7684\u4ef7\u503c\u3002<\/p>\n

\u4e3a\u4e86\u8fdb\u4e00\u6b65\u8bf4\u660e DPFunc \u5728\u68c0\u6d4b\u76f8\u4f3c\u7ed3\u6784\u57fa\u5e8f\u65b9\u9762\u7684\u6f5c\u529b\uff0c\u5373\u4f7f\u6ca1\u6709\u5e8f\u5217\u76f8\u4f3c\u6027\uff0c\u56e2\u961f\u4e5f\u8fdb\u884c\u4e86\u4e24\u4e2a\u6848\u4f8b\u7814\u7a76\u3002\u5bf9\u4e24\u79cd\u5c06\u7ec6\u80de\u4e0e\u5916\u90e8\u73af\u5883\u5206\u79bb\u7684\u5173\u952e\u8d28\u819c\u86cb\u767d\uff0cDPFunc \u80fd\u591f\u6355\u6349\u7ed3\u6784\u76f8\u4f3c\u6027\u5e76\u51c6\u786e\u9884\u6d4b\u529f\u80fd\uff0c\u5373\u4f7f\u9762\u5bf9\u4e0d\u540c\u7684\u5e8f\u5217\u4e5f\u662f\u5982\u6b64\uff0c\u7a81\u663e\u4e86\u5b83\u5728\u86cb\u767d\u8d28\u529f\u80fd\u9884\u6d4b\u65b9\u9762\u7684\u5de8\u5927\u6f5c\u529b\u3002<\/p>\n

\u9664\u6b64\u4e4b\u5916\uff0cDPFunc \u53ef\u6709\u6548\u68c0\u6d4b\u9176\u529f\u80fd\u7684\u91cd\u8981\u6d3b\u6027\u4f4d\u70b9\u3002\u8fd9\u79cd\u975e\u51e1\u7684\u80fd\u529b\u5f52\u529f\u4e8e\u56fe\u795e\u7ecf\u7f51\u7edc\u7684\u5f3a\u5927\u529f\u80fd\uff0c\u5b83\u53ef\u4ee5\u805a\u5408\u6765\u81ea\u4e24\u4e2a\u76f8\u90bb\u6d3b\u52a8\u7ad9\u70b9\u7684\u4fe1\u606f\u3002\u4e0d\u8fc7\uff0c\u5c3d\u7ba1 DPFunc \u6709\u6548\u5730\u8fdb\u884c\u4e86\u68c0\u6d4b\uff0c\u4f46\u5728\u65e0\u5e8f\u533a\u57df\u5bfb\u627e\u6d3b\u6027\u4f4d\u70b9\u4ecd\u7136\u662f\u4e00\u4e2a\u6311\u6218\uff0c\u53ef\u80fd\u4f1a\u5728\u672a\u6765\u7684\u6a21\u578b\u4e2d\u8fdb\u4e00\u6b65\u63a2\u7d22\u3002<\/p>\n

\u5b66\u4e60\u6a21\u5757<\/strong><\/p>\n

\u56e2\u961f\u4f7f\u7528\u4e24\u4e2a\u6570\u636e\u96c6\u6765\u8bc4\u4f30\u5176\u65b9\u6cd5\u7684\u6027\u80fd\u3002\u524d\u8005\u662f\u4e00\u4e2a\u975e\u5197\u4f59\u96c6\uff0c\u901a\u8fc7\u4ee5 95% \u7684\u5e8f\u5217\u540c\u4e00\u6027\u5bf9\u6240\u6709 PDB \u94fe\u8fdb\u884c\u805a\u7c7b\u3002\u540e\u8005\u662f\u4ece UniProt \u548c Gene Ontology \u6570\u636e\u5e93\u4e2d\u6536\u96c6\u7684\u3002<\/p>\n

DPFunc \u6574\u5408\u4e86\u8fd9\u4e24\u4e2a\u6a21\u5757\u5e76\u9884\u6d4b\u4e86\u86cb\u767d\u8d28\u529f\u80fd\u3002\u5177\u4f53\u6765\u8bf4\uff0c\u5b83\u5229\u7528\u521d\u59cb\u6b8b\u57fa\u7279\u5f81\u548c\u86cb\u767d\u8d28\u7279\u5f81\u6765\u6ce8\u91ca\u529f\u80fd\u3002\u6b64\u5916\uff0c\u4e00\u65e6\u8be5\u6a21\u578b\u7ecf\u8fc7\u8bad\u7ec3\uff0c\u5b83\u5c31\u53ef\u4ee5\u6839\u636e\u6ce8\u610f\u529b\u673a\u5236\u68c0\u6d4b\u7ed3\u6784\u4e2d\u7684\u91cd\u8981\u6b8b\u7559\u7269\u3002<\/p>\n

<\/a><\/p>\n

\u56fe 3\uff1aDPFunc \u68c0\u6d4b\u5230\u7684\u5173\u952e\u6b8b\u57fa\u3002\uff08\u56fe\u6e90\uff1a\u8bba\u6587\uff09<\/p>\n

\u5c0f\u7ed3<\/strong><\/p>\n

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\u539f\u6587\u94fe\u63a5\uff1ahttps:\/\/www.nature.com\/articles\/s41467-024-54816-8<\/p>\n

\u6e90\u4ee3\u7801\uff1ahttps:\/\/github.com\/CSUBioGroup\/DPFunc<\/a><\/p>\n

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