{"id":39210,"date":"2025-03-05T04:01:38","date_gmt":"2025-03-04T20:01:38","guid":{"rendered":"https:\/\/17aitech.com\/?p=39210"},"modified":"2025-03-05T04:01:38","modified_gmt":"2025-03-04T20:01:38","slug":"%e9%a6%96%e4%b8%aa%e5%bc%ba%e5%8c%96%e7%94%9f%e6%88%90%e6%a8%a1%e5%9e%8babnovo%e5%ae%9e%e7%8e%b0%e5%a4%9a%e7%9b%ae%e6%a0%87%e3%80%81%e5%a4%9a%e7%ba%a6%e6%9d%9f%e6%8a%97%e4%bd%93%e4%bb%8e%e5%a4%b4","status":"publish","type":"post","link":"https:\/\/17aitech.com\/?p=39210","title":{"rendered":"\u9996\u4e2a\u5f3a\u5316\u751f\u6210\u6a21\u578bAbNovo\u5b9e\u73b0\u591a\u76ee\u6807\u3001\u591a\u7ea6\u675f\u6297\u4f53\u4ece\u5934\u8bbe\u8ba1\uff0c\u53d1\u8868\u4e8eICLR 2025"},"content":{"rendered":"

\u6587\u7ae0\u6765\u6e90\u4e8e\u4e92\u8054\u7f51:\u9996\u4e2a\u5f3a\u5316\u751f\u6210\u6a21\u578bAbNovo\u5b9e\u73b0\u591a\u76ee\u6807\u3001\u591a\u7ea6\u675f\u6297\u4f53\u4ece\u5934\u8bbe\u8ba1\uff0c\u53d1\u8868\u4e8eICLR 2025<\/a><\/p>\n

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

\u7f16\u8f91 | ScienceAI<\/p>\n

\u8fd1\u671f\uff0c\u4e0a\u6d77\u4ea4\u901a\u5927\u5b66\u533b\u5b66\u9662\u5f20\u6d77\u4ed3\u8bfe\u9898\u7ec4\u8054\u5408\u4e2d\u539f\u4eba\u5de5\u667a\u80fd\u4ea7\u4e1a\u6280\u672f\u7814\u7a76\u9662\u4e0e\u4e2d\u56fd\u79d1\u5b66\u9662\u8ba1\u7b97\u6280\u672f\u7814\u7a76\u6240\uff0c\u63d0\u51fa\u4e86\u4e00\u9879\u540d\u4e3aAbNovo\u00a0\u7684\u6297\u4f53\u8bbe\u8ba1\u65b0\u65b9\u6cd5\u3002\u8be5\u65b9\u6cd5\u57fa\u4e8e\u5f3a\u5316\u5b66\u4e60\u4e0e\u6df1\u5ea6\u6269\u6563\u6a21\u578b\uff0c\u80fd\u591f\u5728\u591a\u76ee\u6807\u3001\u591a\u7ea6\u675f\u6761\u4ef6\u4e0b\u5b9e\u73b0\u6297\u4f53\u4ece\u5934\u8bbe\u8ba1\u3002<\/p>\n

\u8be5\u7814\u7a76\u4ee5\u300cMulti-objective antibody design with constrained preference optimization\u300d\u4e3a\u9898\u53d1\u8868\u5728\u56fd\u9645\u673a\u5668\u5b66\u4e60\u9876\u4f1aICLR2025\u4e0a\u3002<\/p>\n

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

\u8bba\u6587\u94fe\u63a5\uff1ahttps:\/\/openreview.net\/forum?id=4ktJJBvvUd<\/p>\n

\u80cc\u666f\u4ecb\u7ecd<\/strong><\/p>\n

\u6297\u4f53\u662f\u514d\u75ab\u7cfb\u7edf\u4e2d\u7684\u5173\u952e\u86cb\u767d\uff0c\u80fd\u4e0e\u7279\u5b9a\u9776\u6297\u539f\u7ed3\u5408\u5e76\u89e6\u53d1\u9002\u5e94\u6027\u514d\u75ab\u53cd\u5e94<\/span>\uff0c\u5728\u764c\u75c7\u3001\u81ea\u8eab\u514d\u75ab\u7f3a\u9677\u53ca\u75c5\u6bd2\u611f\u67d3\u7b49\u75be\u75c5\u6cbb\u7597\u4e2d\u5177\u6709\u91cd\u8981\u5730\u4f4d\u3002\u76ee\u524d\uff0c\u5168\u7403\u8303\u56f4\u5185\u5df2\u6279\u51c6\u5e94\u7528\u4e86\u767e\u4f59\u79cd\u6297\u4f53\u836f\u7269\u3002<\/section>\n
\u8fd1\u5e74\u6765\uff0c\u501f\u52a9\u6df1\u5ea6\u751f\u6210\u6a21\u578b\uff0c\u8ba1\u7b97\u6297\u4f53\u8bbe\u8ba1\u53d6\u5f97\u4e86\u957f\u8db3\u8fdb\u5c55\uff0c\u5c24\u5176\u5728\u589e\u5f3a\u6297\u4f53-\u6297\u539f\u7ed3\u5408\u4eb2\u548c\u529b\u65b9\u9762\u6210\u6548\u663e\u8457\u3002<\/section>\n
\u7136\u800c\uff0c\u9664\u4e86\u9ad8\u4eb2\u548c\u529b\u4e4b\u5916\uff0c\u6297\u4f53\u8fd8\u9700\u5177\u5907\u591a\u79cd\u7406\u60f3\u7684\u751f\u7269\u7269\u7406\u7279\u6027\uff0c\u4f8b\u5982\u7a33\u5b9a\u6027\u3001\u9ad8\u9776\u6807\u7279\u5f02\u6027\u4ee5\u53ca\u4f4e\u81ea\u805a\u5408\u6027\u7b49\uff0c\u624d\u80fd\u5b9e\u73b0\u66f4\u4f18\u7684\u53ef\u5f00\u53d1\u6027\u4e0e\u4e34\u5e8a\u5b89\u5168\u6027\u3002<\/section>\n
\u5728\u6e7f\u5b9e\u9a8c\u4e2d\uff0c\u4f20\u7edf\u7684\u300c\u540e\u7b5b\u9009\u300d\u65b9\u6cd5\u901a\u5e38\u5148\u751f\u6210\u4e00\u6279\u6297\u4f53\u5019\u9009\uff0c\u518d\u6839\u636e\u76ee\u6807\u7279\u6027\u8fdb\u884c\u7b5b\u9009\u548c\u6dd8\u6c70\uff0c\u4f46\u8fd9\u6837\u7684\u7b56\u7565\u6548\u7387\u4f4e\u4e0b\uff0c\u4e14\u96be\u4ee5\u4fdd\u8bc1\u8bbe\u8ba1\u5230\u7684\u6297\u4f53\u53ef\u540c\u65f6\u6ee1\u8db3\u6240\u6709\u6307\u5b9a\u7ea6\u675f\u3002<\/section>\n

AbNovo-\u5229\u7528\u7ea6\u675f\u504f\u597d\u4f18\u5316\u8fdb\u884c\u591a\u76ee\u6807\u6297\u4f53\u8bbe\u8ba1<\/strong><\/p>\n

\u4e3a\u5e94\u5bf9\u4e0a\u8ff0\u6311\u6218\uff0c\u5e76\u8fdb\u4e00\u6b65\u7f29\u5c0f\u8ba1\u7b97\u8bbe\u8ba1\u4e0e\u5b9e\u9645\u5e94\u7528\u4e4b\u95f4\u7684\u5dee\u8ddd\uff0c\u7814\u7a76\u56e2\u961f\u63d0\u51fa\u4e86 AbNovo \u6846\u67b6\uff0c\u7387\u5148\u5c06\u300c\u5e26\u6709\u7ea6\u675f\u7684\u504f\u597d\u4f18\u5316\u300d\u601d\u60f3\u878d\u5165\u5230\u591a\u76ee\u6807\u548c\u591a\u7ea6\u675f\u7684\u6297\u4f53\u8bbe\u8ba1\u4e2d\uff0c\u4e3a\u7814\u53d1\u591a\u7279\u6027\u517c\u4f18\u7684\u6297\u4f53\u63d0\u4f9b\u4e86\u65b0\u601d\u8def\u3002<\/section>\n

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

\u56fe\u00a01\uff1aAbNovo\u7684\u6d41\u7a0b\u56fe<\/p>\n

\u4e3b\u8981\u521b\u65b0\u70b9<\/strong><\/p>\n

\u5e94\u7528\u5c42\u9762<\/strong>\uff1aAbNovo \u901a\u8fc7\u5f3a\u5316\u5b66\u4e60\u548c\u6df1\u5ea6\u751f\u6210\u6a21\u578b\u5f15\u5165\u591a\u76ee\u6807\u3001\u591a\u7ea6\u675f\u7684\u6297\u4f53\u8bbe\u8ba1\u601d\u8def\uff0c\u76f4\u63a5\u523b\u753b\u5b9e\u9645\u836f\u7269\u7814\u53d1\u8fc7\u7a0b\u4e2d\u7684\u751f\u7269\u7269\u7406\u7ea6\u675f\u3002<\/p>\n

\u7b97\u6cd5\u5c42\u9762<\/strong>\uff1a\u9996\u6b21\u5c06\u300c\u5e26\u7ea6\u675f\u504f\u597d\u4f18\u5316\u300d\u4ece\u8bed\u8a00\u6a21\u578b\u63a8\u5e7f\u81f3\u57fa\u4e8e\u6269\u6563\u7684\u751f\u6210\u6a21\u578b\uff0c\u8bbe\u8ba1\u4e86\u76f8\u5e94\u8bad\u7ec3\u7b97\u6cd5\uff0c\u5e76\u7ed9\u51fa\u4e86\u4e25\u8c28\u7684\u7406\u8bba\u5206\u6790\u3002<\/p>\n

\u6027\u80fd\u65b9\u9762<\/strong>\uff1a\u4e3a\u7f13\u89e3\u6297\u4f53-\u6297\u539f\u8bad\u7ec3\u6570\u636e\u7a00\u7f3a\u95ee\u9898\uff0cAbNovo\u00a0\u8fd8\u8bad\u7ec3\u4e86\u5927\u89c4\u6a21\u7ed3\u6784\u611f\u77e5\u7684\u86cb\u767d\u8d28\u8bed\u8a00\u6a21\u578b\uff0c\u4ece\u4e30\u5bcc\u7684\u975e\u6297\u4f53\u7ed3\u6784\u6570\u636e\u4e2d\u5b66\u5230\u901a\u7528\u89c4\u5f8b\uff0c\u8fdb\u4e00\u6b65\u964d\u4f4e\u8fc7\u62df\u5408\u98ce\u9669\u3002<\/p>\n

\u591a\u76ee\u6807\u6297\u4f53\u8bbe\u8ba1\u7684\u4e24\u9636\u6bb5\u7ea6\u675f\u504f\u597d\u4f18\u5316\u6846\u67b6<\/strong><\/p>\n

\u5982\u56fe1 \u6240\u793a\uff0cAbNovo \u5728\u8bad\u7ec3\u8fc7\u7a0b\u4e2d\u5305\u542b\u4e24\u4e2a\u4e3b\u8981\u9636\u6bb5\uff1a<\/p>\n

\u9636\u6bb5\u00a01 \uff08\u57fa\u7840\u6a21\u578b\uff09<\/strong>:\u00a0\u4f7f\u7528\u591a\u6a21\u6001\u6269\u6563\u6a21\u578b\u6765\u8fdb\u884c\u6297\u4f53\u5e8f\u5217\u548c\u7ed3\u6784\u7684\u8054\u5408\u8bbe\u8ba1\uff0c\u5f97\u5230\u521d\u6b65\u7684\u6297\u4f53-\u6297\u539f\u6761\u4ef6\u751f\u6210\u6a21\u578b\u3002\u5177\u4f53\u5730\uff0c\u5bf9\u79bb\u6563\u5e8f\u5217\u4f7f\u7528\u57fa\u4e8e\u8fde\u7eed\u65f6\u95f4\u9a6c\u5c14\u53ef\u592b\u94fe(CTMC) \u7684\u6269\u6563\u6a21\u578b\uff0c\u5bf9\u7ed3\u6784\u4f7f\u7528\u57fa\u4e8eSE(3) \u7a7a\u95f4\u7684\u6269\u6563\u6a21\u578b\u3002<\/p>\n

\u9636\u6bb5\u00a02\uff08\u7ea6\u675f\u504f\u597d\u4f18\u5316<\/strong>\uff09<\/strong>:\u4f7f\u7528\u7ea6\u675f\u504f\u597d\u4f18\u5316\u5bf9\u9636\u6bb5\u4e00\u4e2d\u7684\u57fa\u7840\u6a21\u578b\u8fdb\u884c\u5fae\u8c03\u3002\u4e3a\u4e86\u8bbe\u8ba1\u4e0e\u76ee\u6807\u6297\u539f\u7ed3\u5408\u4e14\u540c\u65f6\u6ee1\u8db3\u5176\u4ed6\u751f\u7269\u7269\u7406\u7279\u6027\u7684\u6297\u4f53\uff0c\u8bad\u7ec3\u76ee\u6807\u5982\u4e0b\uff1a<\/p>\n

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

\u7f51\u7edc\u4e0d\u4ec5\u9700\u8981\u4f18\u5316\u4eb2\u548c\u529b\u7b49\u76f8\u5173\u6307\u6807<\/strong>\uff0c\u8fd8\u9700\u8981\u6ee1\u8db3\u7269\u7406\u5316\u5b66\u6027\u8d28\u7684\u7ea6\u675f\u3002\u4e0e\u666e\u901a\u7684\u591a\u76ee\u6807\u4f18\u5316\u4e0d\u540c\uff0c\u5e26\u7ea6\u675f\u591a\u76ee\u6807\u4f18\u5316\u5728\u8bad\u7ec3\u7684\u8fc7\u7a0b\u4e2d\u53ef\u4ee5\u81ea\u52a8\u8c03\u8282\u76ee\u6807\u548c\u7ea6\u675f\u4e4b\u95f4\u7684\u6743\u91cd\u3002\u5728\u6ee1\u8db3\u7ea6\u675f\u7684\u540c\u65f6\uff0c\u53bb\u6700\u5927\u5316\u5956\u52b1\u51fd\u6570\uff0c\u5176\u62e5\u6709\u66f4\u597d\u7684\u7ea6\u675f\u6ee1\u8db3\u6027\u548c\u66f4\u4f18\u7684\u76ee\u6807\u6027\u80fd\u3002<\/p>\n

\u6b64\u5916\uff0c\u8be5\u9636\u6bb5\u4ee5\u8fed\u4ee3\u65b9\u5f0f\u8fdb\u884c\uff0c\u4e0d\u65ad\u66f4\u65b0\u53c2\u8003\u6a21\u578b\u548c\u7b56\u7565\u6a21\u578b\uff0c\u63d0\u9ad8\u6536\u655b\u6548\u7387\u548c\u7ea6\u675f\u6ee1\u8db3\u7387\u3002\u5b8c\u6574\u7684\u8bad\u7ec3\u8fc7\u7a0b\u5982\u56fe 2\u00a0\u6240\u793a\u3002<\/p>\n

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

\u56fe\u00a02: \u6297\u4f53\u8bbe\u8ba1\u7684\u7ea6\u675f\u504f\u597d\u4f18\u5316\u7b97\u6cd5<\/p>\n

AbNovo\u7684\u6027\u80fd\u8bc4\u6d4b<\/strong><\/p>\n

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

\u56fe 3\uff1a\u6d4b\u8bd5\u96c6\u4e2d\u72ec\u7acb\u4e8e\u53c2\u8003\u7684\u6307\u6807\u7684\u8bc4\u4f30<\/p>\n

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

\u56fe 4: \u6d4b\u8bd5\u96c6\u4e2d\u57fa\u4e8e\u53c2\u8003\u7684\u6307\u6807\u7684\u8bc4\u4f30<\/p>\n

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1.\u7269\u7406\u5316\u5b66\u6027\u8d28\u76f8\u5173\u7684<\/strong>\u6307\u6807<\/strong>:<\/strong>\u7269\u7406\u5316\u5b66\u6027\u8d28\u76f8\u5173\u7684\u6307\u6807\u4e3b\u8981\u5305\u542b\u00a0Rosetta \u00a0\u7ed3\u5408\u80fd\u8bc4\u4f30\u6240\u8bbe\u8ba1\u6297\u4f53\u4e0e\u9776\u6297\u539f\u7684\u7ed3\u5408\u4eb2\u548c\u529b\u3002\u4f7f\u7528\u72ec\u7acb\u6297\u4f53\u8bed\u8a00\u6a21\u578b\u4e0b\u7684\u6982\u7387\u4f3c\u7136\u6765\u8bc4\u4f30\u8fdb\u5316\u5408\u7406\u6027\u3002\u6b64\u5916\uff0c\u8bba\u6587\u8003\u8651\u6ee1\u8db3\u4e0e\u81ea\u805a\u5408\u3001\u7a33\u5b9a\u6027\u548c\u975e\u7279\u5f02\u6027\u7ed3\u5408\u76f8\u5173\u7684\u7ea6\u675f\u7684\u751f\u6210\u6297\u4f53\u7684\u6bd4\u4f8b\uff08\u56fe 3\uff09\uff1b<\/p>\n

2.\u57fa\u4e8e\u5929\u7136\u6297\u539f\u6297<\/strong>–<\/strong>\u4f53\u590d\u5408\u7269<\/strong>\u53c2\u8003\u7684\u6307\u6807<\/strong>:<\/strong>\u57fa\u4e8e\u53c2\u8003\u7684\u6307\u6807\u8bc4\u4f30\u8bbe\u8ba1\u6297\u4f53\u548c\u5929\u7136\u6297\u4f53\u7ed3\u6784\u548c\u5e8f\u5217\u4e4b\u95f4\u7684\u76f8\u4f3c\u6027\u3002\u6c28\u57fa\u9178\u6062\u590d\u7387\uff08AAR\uff09\u901a\u8fc7\u5c06\u751f\u6210\u7684\u5e8f\u5217\u4e0e\u5929\u7136\u5e8f\u5217\u8fdb\u884c\u6bd4\u8f83\u6765\u6d4b\u91cf\u5e8f\u5217\u6062\u590d\u7684\u51c6\u786e\u6027\uff1b\u5747\u65b9\u6839\u504f\u5dee\uff08RMSD\uff09\u8ba1\u7b97\u751f\u6210\u7684\u7ed3\u6784\u548c\u5929\u7136\u7ed3\u6784\u4e4b\u95f4\u7684\u504f\u5dee\uff08\u56fe 4\uff09\u3002<\/p>\n

AbNovo \u548c\u5f53\u524d\u4e3b\u6d41\u7684\u6297\u4f53\u8bbe\u8ba1\u6a21\u578b\u505a\u4e86\u6bd4\u8f83\uff0c\u4f8b\u5982\u00a0DiffAb\u3001dyMEAN\u3001GeoAb \u548c AbX\u3002\u5728\u6240\u6709\u72ec\u7acb\u4e8e\u53c2\u8003\u7684\u6307\u6807\u4e0a\u7684\u8868\u73b0\u5747\u4f18\u4e8e\u6240\u6709\u57fa\u7ebf\u65b9\u6cd5\u3002<\/p>\n

\u6b64\u5916\uff0c\u4e0e\u8bba\u6587\u4e2d\u7b2c\u4e00\u9636\u6bb5\u7684\u57fa\u7840\u6a21\u578b\u76f8\u6bd4\uff0cAbNovo \u00a0\u5728\u6240\u6709\u6307\u6807\u4e0a\u90fd\u8868\u73b0\u51fa\u663e\u8457\u7684\u6539\u8fdb\uff0c\u51f8\u663e\u4e86\u7ea6\u675f\u504f\u597d\u4f18\u5316\u7684\u6709\u6548\u6027\u3002<\/p>\n

Case study\uff1a<\/strong>\u8bbe\u8ba1\u6297\u4f53\u7684\u53ef\u89c6\u5316\u548c\u7edf\u8ba1\u5206\u5e03<\/strong><\/p>\n

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

\u56fe 5: \u8bbe\u8ba1\u6297\u4f53\u7684\u53ef\u89c6\u5316<\/p>\n

\u7ed3\u8bed<\/strong><\/p>\n

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