{"id":1072569,"date":"2023-07-07T22:34:00","date_gmt":"2023-07-08T05:34:00","guid":{"rendered":"https:\/\/www.microsoft.com\/en-us\/research\/?post_type=msr-blog-post&#038;p=1072569"},"modified":"2024-09-25T03:41:46","modified_gmt":"2024-09-25T10:41:46","slug":"distributional-graphormer","status":"publish","type":"msr-blog-post","link":"https:\/\/www.microsoft.com\/en-us\/research\/articles\/distributional-graphormer\/","title":{"rendered":"Distributional Graphormer\uff1a\u4ece\u5206\u5b50\u7ed3\u6784\u9884\u6d4b\u5230\u5e73\u8861\u5206\u5e03\u9884\u6d4b"},"content":{"rendered":"\n<p><em>\u4f5c\u8005\uff1a\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3<\/em><\/p>\n\n\n\n<p>\u7f16\u8005\u6309\uff1a\u8fd1\u5e74\u6765\uff0c\u6df1\u5ea6\u5b66\u4e60\u6280\u672f\u5728\u5206\u5b50\u5fae\u89c2\u7ed3\u6784\u9884\u6d4b\u4e2d\u53d6\u5f97\u4e86\u5de8\u5927\u7684\u8fdb\u5c55\u3002\u7136\u800c\uff0c\u5206\u5b50\u7684\u5b8f\u89c2\u5c5e\u6027\u548c\u529f\u80fd\u5f80\u5f80\u53d6\u51b3\u4e8e\u5206\u5b50\u7ed3\u6784\u5728\u5e73\u8861\u6001\u4e0b\u7684\u5206\u5e03\uff0c\u4ec5\u4e86\u89e3\u5206\u5b50\u7684\u5fae\u89c2\u7ed3\u6784\u8fd8\u8fdc\u8fdc\u4e0d\u591f\u3002\u5728\u4f20\u7edf\u7684\u7edf\u8ba1\u529b\u5b66\u4e2d\uff0c\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u6216\u589e\u5f3a\u91c7\u6837\u7b49\u662f\u83b7\u5f97\u5e73\u8861\u5206\u5e03\u4e2d\u91c7\u6837\u7684\u5e38\u7528\u65b9\u6cd5\uff0c\u4f46\u8fd9\u4e9b\u65b9\u6cd5\u6602\u8d35\u53c8\u8017\u65f6\u3002<\/p>\n\n\n\n<p>\u9488\u5bf9\u8fd9\u4e2a\u957f\u671f\u4e14\u8270\u5de8\u7684\u6311\u6218\uff0c\u5fae\u8f6f\u7814\u7a76\u9662\u53d1\u5e03\u4e86\u53ef\u7528\u4e8e\u9884\u6d4b\u5206\u5b50\u7ed3\u6784\u5e73\u8861\u5206\u5e03\u7684\u6df1\u5ea6\u5b66\u4e60\u6846\u67b6 Distributional Graphormer (DiG)\u3002DiG \u53ef\u4ee5\u5feb\u901f\u751f\u6210\u771f\u5b9e\u591a\u6837\u7684\u6784\u8c61\uff0c\u8fdb\u800c\u4e3a\u5b9e\u73b0\u4ece\u5355\u4e00\u7ed3\u6784\u9884\u6d4b\u5230\u5e73\u8861\u5206\u5e03\u9884\u6d4b\u7684\u7a81\u7834\u5960\u5b9a\u57fa\u7840\u3002\u5b9e\u9a8c\u8868\u660e\uff0cDiG \u5728\u86cb\u767d\u8d28\u3001\u86cb\u767d\u8d28-\u914d\u4f53\u590d\u5408\u7269\u548c\u50ac\u5316\u5242-\u5438\u9644\u8d28\u7cfb\u7edf\u7b49\u91c7\u6837\u4efb\u52a1\u4e2d\uff0c\u5c55\u73b0\u51fa\u4e86\u4f18\u5f02\u7684\u6027\u80fd\u548c\u6f5c\u529b\uff0c\u4e3a\u5206\u5b50\u79d1\u5b66\u7814\u7a76\u6253\u5f00\u4e86\u65b0\u7684\u56fe\u666f\uff0c\u5e76\u4e3a\u836f\u7269\u8bbe\u8ba1\u3001\u6750\u6599\u79d1\u5b66\u7b49\u9886\u57df\u5e26\u6765\u65b0\u7684\u53ef\u80fd\u3002<\/p>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity\"\/>\n\n\n\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"800\" height=\"450\" src=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/DiGlogo.gif\" alt=\"DiG logo\" class=\"wp-image-1072704\"\/><\/figure>\n\n\n\n<p>\u7ed3\u6784\u9884\u6d4b\u662f\u5206\u5b50\u79d1\u5b66\u4e2d\u7684\u4e00\u4e2a\u6839\u672c\u8bfe\u9898\uff0c\u56e0\u4e3a\u5206\u5b50\u7684\u4e09\u7ef4\u7ed3\u6784\u51b3\u5b9a\u4e86\u5206\u5b50\u7684\u7279\u6027\u548c\u529f\u80fd\u3002\u8fd1\u5e74\u6765\uff0c\u6df1\u5ea6\u5b66\u4e60\u65b9\u6cd5\u5728\u5206\u5b50\u7ed3\u6784\u9884\u6d4b\u65b9\u9762\u53d6\u5f97\u4e86\u663e\u8457\u8fdb\u5c55\uff0c\u5e76\u4ea7\u751f\u4e86\u91cd\u5927\u5f71\u54cd\u3002\u4f8b\u5982\uff0c\u6df1\u5ea6\u5b66\u4e60\u6a21\u578b AlphaFold \u548c RoseTTAFold \u5728\u4ece\u6c28\u57fa\u9178\u5e8f\u5217\u4e2d\u9884\u6d4b\u6700\u6709\u53ef\u80fd\u7684\u86cb\u767d\u8d28\u7ed3\u6784\u65b9\u9762\u8fbe\u5230\u4e86\u524d\u6240\u672a\u6709\u7684\u51c6\u786e\u5ea6\uff1b\u7531\u5fae\u8f6f\u7814\u7a76\u9662\u7814\u53d1\u7684 Graphormer \u6a21\u578b\u53ef\u4ee5\u7cbe\u51c6\u9884\u6d4b\u50ac\u5316\u5242\u8868\u9762\u5206\u5b50\u7684\u5438\u9644\u6784\u8c61\uff0c\u5e76\u5728\u5168\u7403\u9996\u5c4a\u516c\u5f00\u50ac\u5316\u5242\u6311\u6218\u8d5b\u4e2d\u593a\u51a0\u3002\u5c3d\u7ba1\u6df1\u5ea6\u5b66\u4e60\u65b9\u6cd5\u6539\u53d8\u4e86\u5206\u5b50\u79d1\u5b66\u7684\u6e38\u620f\u89c4\u5219\uff0c\u4f46\u4e3a\u5206\u5b50\u7684\u9759\u6001\u7ed3\u6784\u63d0\u4f9b\u5355\u4e00\u5feb\u7167\uff0c\u4ec5\u63ed\u5f00\u4e86\u590d\u6742\u5206\u5b50\u7cfb\u7edf\u7684\u51b0\u5c71\u4e00\u89d2\u3002<\/p>\n\n\n\n<p>\u4ee5\u86cb\u767d\u8d28\u5206\u5b50\u4e3a\u4f8b\uff0c\u86cb\u767d\u8d28\u5e76\u4e0d\u662f\u521a\u6027\u7269\u4f53\uff0c\u5b83\u4eec\u662f\u52a8\u6001\u7684\u5206\u5b50\uff0c\u5728\u5e73\u8861\u72b6\u6001\u4e0b\u53ef\u4ee5\u5448\u73b0\u4e0d\u540c\u7684\u7ed3\u6784\uff0c\u6bcf\u79cd\u7ed3\u6784\u90fd\u6709\u7279\u5b9a\u7684\u51fa\u73b0\u6982\u7387\u3002\u5e73\u8861\u5206\u5e03\u4e0b\u7684\u7ed3\u6784\u53ca\u5176\u51fa\u73b0\u7684\u6982\u7387\u51b3\u5b9a\u4e86\u5206\u5b50\u7684\u5b8f\u89c2\u5c5e\u6027\u548c\u529f\u80fd\uff0c\u4ece\u800c\u624d\u80fd\u63ed\u793a\u5176\u751f\u7269\u5b66\u539f\u7406\u5e76\u5bf9\u73b0\u5b9e\u5e94\u7528\u4ea7\u751f\u5f71\u54cd\u3002\u800c\u83b7\u5f97\u8fd9\u4e9b\u5e73\u8861\u5206\u5e03\u7684\u4f20\u7edf\u65b9\u6cd5\uff0c\u5982\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u6216\u8499\u7279\u5361\u6d1b\u91c7\u6837\u90fd\u662f\u4ece\u5206\u5e03\u4e2d\u987a\u5e8f\u91c7\u6837\uff0c\u7531\u4e8e\u5176\u8ba1\u7b97\u6210\u672c\u9ad8\uff0c\u5e76\u4e14\u91c7\u6837\u6837\u672c\u4e4b\u95f4\u7edf\u8ba1\u4e0d\u72ec\u7acb\uff0c\u6240\u4ee5\u5bfc\u81f4\u8be5\u7c7b\u65b9\u6cd5\u96be\u4ee5\u8f7b\u6613\u7528\u4e8e\u590d\u6742\u7684\u5b9e\u9645\u5e94\u7528\u573a\u666f\u4e2d\u3002\u56e0\u6b64\uff0c\u5206\u5b50\u79d1\u5b66\u9886\u57df\u8feb\u5207\u9700\u8981\u627e\u5230\u5168\u65b0\u65b9\u6cd5\uff0c\u53ef\u4ee5\u4ece\u5206\u5b50\u7ed3\u6784\u9884\u6d4b\u95ee\u9898\u8fc8\u8fdb\u5230\u5206\u5b50\u7684\u5e73\u8861\u5206\u5e03\u9884\u6d4b\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\" id=\"dig-\u9884\u6d4b\u5e73\u8861\u6001\u4e0b\u5206\u5b50\u7ed3\u6784\u7684\u5206\u5e03\">DiG\uff1a\u9884\u6d4b\u5e73\u8861\u6001\u4e0b\u5206\u5b50\u7ed3\u6784\u7684\u5206\u5e03<\/h2>\n\n\n\n<p>\u5fae\u8f6f\u7814\u7a76\u9662\u53d1\u5e03\u7684\u5168\u65b0\u6df1\u5ea6\u5b66\u4e60\u6846\u67b6 Distributional Graphormer (DiG)[1][2]\uff0c\u53ef\u4ee5\u7528\u4e8e\u9884\u6d4b\u5e73\u8861\u6001\u4e0b\u5206\u5b50\u7ed3\u6784\u7684\u5206\u5e03\uff0c\u65e8\u5728\u653b\u514b\u5e73\u8861\u5206\u5e03\u9884\u6d4b\u8fd9\u4e00\u57fa\u7840\u6027\u96be\u9898\uff0c\u4e3a\u5206\u5b50\u79d1\u5b66\u7814\u7a76\u521b\u9020\u4e86\u65b0\u7684\u673a\u9047\u3002DiG \u5b9e\u73b0\u4e86\u4ece\u5355\u4e00\u7ed3\u6784\u9884\u6d4b\u6269\u5c55\u5230\u5bf9\u5e73\u8861\u5206\u5e03\u7684\u6574\u4f53\u9884\u6d4b\u7684\u91cd\u8981\u7a81\u7834\u3002\u5e73\u8861\u5206\u5e03\u9884\u6d4b\u5f25\u5408\u4e86\u7531\u7edf\u8ba1\u529b\u5b66\u548c\u70ed\u529b\u5b66\u63a7\u5236\u7684\u5206\u5b50\u7cfb\u7edf\u5fae\u89c2\u7ed3\u6784\u548c\u5b8f\u89c2\u7279\u6027\u4e4b\u95f4\u7684\u5dee\u8ddd\u3002\u8fd9\u662f\u4e00\u9879\u975e\u5e38\u5177\u6709\u6311\u6218\u6027\u7684\u4efb\u52a1\uff0c\u56e0\u4e3a\u5b83\u9700\u8981\u5bf9\u9ad8\u7ef4\u7a7a\u95f4\u4e2d\u7684\u590d\u6742\u5206\u5e03\u8fdb\u884c\u5efa\u6a21\uff0c\u4ee5\u6355\u6349\u4e0d\u540c\u5206\u5b50\u72b6\u6001\u7684\u6982\u7387\u3002<\/p>\n\n\n\n<p><\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"343\" src=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-1-1024x343.png\" alt=\"\u56fe1\uff1aDiG \u7684\u76ee\u6807\u662f\u4ee5\u5206\u5b50\u7cfb\u7edf\u7684\u57fa\u672c\u63cf\u8ff0\u7b26\uff08\u4f8b\u5982\u6c28\u57fa\u9178\u5e8f\u5217\u6216\u5206\u5b50\u5316\u5b66\u5f0f\uff09\u4f5c\u4e3a\u8f93\u5165\uff0c\u9884\u6d4b\u7b26\u5408\u5e73\u8861\u5206\u5e03\u7684\u7ed3\u6784\u53ca\u5176\u6982\u7387\u3002\" class=\"wp-image-1072707\" srcset=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-1-1024x343.png 1024w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-1-300x101.png 300w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-1-768x258.png 768w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-1-240x80.png 240w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-1.png 1288w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">\u56fe1\uff1aDiG \u7684\u76ee\u6807\u662f\u4ee5\u5206\u5b50\u7cfb\u7edf\u7684\u57fa\u672c\u63cf\u8ff0\u7b26\uff08\u4f8b\u5982\u6c28\u57fa\u9178\u5e8f\u5217\u6216\u5206\u5b50\u5316\u5b66\u5f0f\uff09\u4f5c\u4e3a\u8f93\u5165\uff0c\u9884\u6d4b\u7b26\u5408\u5e73\u8861\u5206\u5e03\u7684\u7ed3\u6784\u53ca\u5176\u6982\u7387\u3002<\/figcaption><\/figure>\n\n\n\n<p id=\"caption-attachment-45468\"><\/p>\n\n\n\n<p>\u901a\u8fc7\u5bf9\u6b64\u524d\u7814\u7a76\u5de5\u4f5c Graphormer \u7684\u6269\u5c55\uff0cDiG \u5b9e\u73b0\u4e86\u5206\u5e03\u9884\u6d4b\u7684\u5168\u65b0\u89e3\u51b3\u65b9\u6848\u3002Graphormer \u662f\u4e00\u79cd\u901a\u7528\u7684\u56fe (Graph) Transformer\uff0c\u53ef\u4ee5\u6709\u6548\u5730\u5bf9\u5206\u5b50\u7ed3\u6784\u8fdb\u884c\u7406\u89e3\u548c\u5efa\u6a21\uff0c\u5728\u5206\u5b50\u79d1\u5b66\u4e2d\u8868\u73b0\u51fa\u4e86\u4f18\u5f02\u7684\u6027\u80fd\uff0c\u5728\u91cf\u5b50\u5316\u5b66\u6216\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u4e2d\u4e5f\u5f97\u5230\u4e86\u5e94\u7528[3][4]\u3002\u73b0\u5728\uff0cDiG \u5177\u6709\u66f4\u65b0\u3001\u66f4\u5f3a\u5927\u7684\u529f\u80fd\u2014\u2014\u901a\u8fc7\u6df1\u5ea6\u795e\u7ecf\u7f51\u7edc\u76f4\u63a5\u9884\u6d4b\u5e73\u8861\u5206\u5e03\u3002<\/p>\n\n\n\n<p>DiG \u53d7\u5230\u70ed\u529b\u5b66\u548c\u4f18\u5316\u7684\u7ecf\u5178\u65b9\u6cd5\u2014\u2014\u6a21\u62df\u9000\u706b\u7b97\u6cd5\uff08simulated annealing\uff09\u542f\u53d1\uff0c\u901a\u8fc7\u6a21\u62df\u4e00\u4e2a\u968f\u673a\u8fc7\u7a0b\uff0c\u5c06\u4e00\u4e2a\u7b80\u5355\u5206\u5e03\u9010\u6e10\u5b8c\u5584\uff0c\u4ece\u800c\u4ea7\u751f\u4e00\u4e2a\u590d\u6742\u5206\u5e03\u3002\u6b64\u968f\u673a\u8fc7\u7a0b\u7684\u9884\u6d4b\u5728\u6df1\u5ea6\u5b66\u4e60\u6846\u67b6\u4e2d\u5b8c\u6210\u3002\u8fd9\u4e5f\u662f\u6700\u8fd1\u5c06\u751f\u6210\u5f0f\u4eba\u5de5\u667a\u80fd\u63a8\u5411\u706b\u70ed\u7684\u6269\u6563\u6a21\u578b\uff08diffusion models\uff09\u7684\u6a21\u5f0f\u3002DiG \u5c06\u8fd9\u4e00\u601d\u60f3\u53c8\u5e26\u56de\u4e86\u70ed\u529b\u5b66\u7814\u7a76\uff0c\u5f62\u6210\u4e86\u4e00\u4e2a\u7075\u611f\u548c\u521b\u65b0\u7684\u95ed\u73af\u3002\u53ef\u4ee5\u60f3\u8c61\u5728\u4e0d\u4e45\u7684\u672a\u6765\uff0c\u79d1\u5b66\u5bb6\u4eec\u5c06\u53ef\u4ee5\u50cf\u4f7f\u7528 AI \u4f5c\u753b\u4e00\u6837\u6765\u4f7f\u7528 DiG \u751f\u6210\u5206\u5b50\u7ed3\u6784\uff1a\u901a\u8fc7\u8f93\u5165\u7b80\u5355\u7684\u63cf\u8ff0\uff0c\u4f8b\u5982\u6c28\u57fa\u9178\u5e8f\u5217\uff0cDiG \u5c31\u53ef\u4ee5\u5feb\u901f\u751f\u6210\u7b26\u5408\u5e73\u8861\u5206\u5e03\u7684\u3001\u771f\u5b9e\u591a\u6837\u7684\u5206\u5b50\u7ed3\u6784\u3002\u8fd9\u5c06\u5927\u5927\u63d0\u9ad8\u79d1\u5b66\u5bb6\u7684\u751f\u4ea7\u529b\u548c\u521b\u9020\u529b\uff0c\u4f7f\u5176\u80fd\u591f\u5728\u836f\u7269\u8bbe\u8ba1\u3001\u6750\u6599\u79d1\u5b66\u548c\u50ac\u5316\u7b49\u9886\u57df\u83b7\u5f97\u65b0\u7684\u53d1\u73b0\u4e0e\u5e94\u7528\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\" id=\"\u5728\u591a\u79cd\u5206\u5b50\u4f53\u7cfb\u91c7\u6837\u4efb\u52a1\u4e2d-dig\u98a0\u8986\u4f20\u7edf\">\u5728\u591a\u79cd\u5206\u5b50\u4f53\u7cfb\u91c7\u6837\u4efb\u52a1\u4e2d\uff0cDiG\u98a0\u8986\u4f20\u7edf<\/h2>\n\n\n\n<p>DiG \u6846\u67b6\u5df2\u5728\u591a\u4e2a\u5206\u5b50\u91c7\u6837\u4efb\u52a1\u4e0a\u5c55\u73b0\u51fa\u4f18\u5f02\u7684\u6027\u80fd\u548c\u6f5c\u529b\uff0c\u8fd9\u4e9b\u4efb\u52a1\u6db5\u76d6\u4e86\u5e7f\u6cdb\u7684\u5206\u5b50\u7cfb\u7edf\uff0c\u5982\u86cb\u767d\u8d28\u3001\u86cb\u767d\u8d28-\u914d\u4f53\u590d\u5408\u7269\u548c\u50ac\u5316\u5242-\u5438\u9644\u8d28\u7cfb\u7edf\u7b49\u3002\u7814\u7a76\u7ed3\u679c\u663e\u793a\uff0cDiG \u4e0d\u4ec5\u80fd\u591f\u4ee5\u9ad8\u6548\u7387\u548c\u4f4e\u8ba1\u7b97\u6210\u672c\u751f\u6210\u771f\u5b9e\u3001\u591a\u6837\u7684\u5206\u5b50\u7ed3\u6784\uff0c\u8fd8\u53ef\u4ee5\u63d0\u4f9b\u72b6\u6001\u5bc6\u5ea6\u7684\u4f30\u8ba1\uff0c\u8fd9\u5bf9\u4e8e\u4f7f\u7528\u7edf\u8ba1\u529b\u5b66\u8ba1\u7b97\u5b8f\u89c2\u6027\u8d28\u81f3\u5173\u91cd\u8981\u3002DiG \u5728\u4ece\u7edf\u8ba1\u5b66\u89d2\u5ea6\u7406\u89e3\u5fae\u89c2\u5206\u5b50\u5e76\u9884\u6d4b\u5176\u5b8f\u89c2\u7279\u6027\u65b9\u9762\u53d6\u5f97\u4e86\u91cd\u5927\u8fdb\u5c55\uff0c\u4e3a\u5206\u5b50\u79d1\u5b66\u521b\u9020\u4e86\u66f4\u591a\u4ee4\u4eba\u5174\u594b\u7684\u7814\u7a76\u673a\u4f1a\u3002<\/p>\n\n\n\n<p>DiG \u7684\u91cd\u8981\u5e94\u7528\u4e4b\u4e00\u662f\u5bf9\u86cb\u767d\u8d28\u6784\u8c61\u8fdb\u884c\u91c7\u6837\uff0c\u8fd9\u5bf9\u4e8e\u7406\u89e3\u86cb\u767d\u8d28\u6027\u8d28\u548c\u529f\u80fd\u662f\u5fc5\u4e0d\u53ef\u5c11\u7684\u3002\u86cb\u767d\u8d28\u662f\u52a8\u6001\u5206\u5b50\uff0c\u5728\u5e73\u8861\u72b6\u6001\u4e0b\u4f1a\u5f62\u6210\u4e0d\u540c\u7684\u7ed3\u6784\u4e14\u5f62\u6210\u7684\u6982\u7387\u5404\u4e0d\u76f8\u540c\uff0c\u800c\u8fd9\u4e9b\u7ed3\u6784\u901a\u5e38\u53c8\u4e0e\u5176\u751f\u7269\u529f\u80fd\u548c\u4e0e\u5176\u4ed6\u5206\u5b50\u7684\u76f8\u4e92\u4f5c\u7528\u6709\u5173\u3002\u4f46\u662f\u9884\u6d4b\u86cb\u767d\u8d28\u6784\u8c61\u7684\u5e73\u8861\u5206\u5e03\u662f\u4e00\u4e2a\u957f\u671f\u5b58\u5728\u4e14\u5177\u6709\u6311\u6218\u6027\u7684\u95ee\u9898\uff0c\u539f\u56e0\u5728\u4e8e\u6784\u8c61\u7a7a\u95f4\u4e2d\u7684\u6982\u7387\u5206\u5e03\u53d6\u51b3\u4e8e\u590d\u6742\u548c\u9ad8\u7ef4\u7684\u80fd\u91cf\u666f\u89c2\u56fe\uff08Energy Landscape\uff09\u3002\u4e0e\u6602\u8d35\u4e14\u4f4e\u6548\u7684\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u6216\u8499\u7279\u5361\u6d1b\u91c7\u6837\u65b9\u6cd5\u76f8\u6bd4\uff0cDiG \u53ef\u4ee5\u4ece\u6c28\u57fa\u9178\u5e8f\u5217\u4e2d\u751f\u6210\u591a\u6837\u5316\u5e76\u4e0e\u529f\u80fd\u76f8\u5173\u7684\u86cb\u767d\u8d28\u7ed3\u6784\uff0c\u4e0d\u4ec5\u901f\u5ea6\u5feb\uff0c\u800c\u4e14\u6210\u672c\u663e\u8457\u964d\u4f4e\u3002<\/p>\n\n\n\n<p>DiG \u53ef\u4ee5\u4ece\u76f8\u540c\u7684\u86cb\u767d\u8d28\u5e8f\u5217\u4e2d\u4ea7\u751f\u591a\u79cd\u6784\u8c61\u3002\u5982\u56fe2\u6240\u793a\uff0cDiG \u751f\u6210\u4e86 SARS-CoV-2 \u75c5\u6bd2\u4e3b\u86cb\u767d\u9176\u7684\u7ed3\u6784\uff0c\u5e76\u4e0e\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u548c AlphaFold2 \u7684\u9884\u6d4b\u7ed3\u679c\u8fdb\u884c\u4e86\u6bd4\u8f83\u3002\u5728\u4e8c\u7ef4\u7a7a\u95f4\u4e2d\uff0c\u7b49\u9ad8\u7ebf\u56fe\uff08\u4ee5\u7ebf\u6761\u8868\u793a\uff09\u663e\u793a\u4e86\u7531\u5927\u89c4\u6a21\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u91c7\u6837\u7684\u4e09\u4e2a\u7c07\uff0cDiG \u5728\u4e09\u4e2a\u7c07\u4e2d\u5747\u751f\u6210\u4e86\u9ad8\u5ea6\u76f8\u4f3c\u7684\u7ed3\u6784\u3002<\/p>\n\n\n\n<p><\/p>\n\n\n\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"600\" height=\"375\" src=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-2.gif\" alt=\"\u56fe2\uff1aDiG \u751f\u6210\u7684\u7ed3\u6784\u8986\u76d6\u4e86\u65b0\u51a0\u75c5\u6bd2\u4e3b\u86cb\u767d\u9176\u957f\u65f6\u95f4\u5e73\u7a33\u6001\u52a8\u529b\u5b66\u6a21\u62df\u57282\u7ef4\u6295\u5f71\u6784\u8c61\u7a7a\u95f4\u4e2d\u5206\u5e03\u7684\u4e3b\u8981\u533a\u57df\" class=\"wp-image-1072710\"\/><figcaption class=\"wp-element-caption\">\u56fe2\uff1aDiG \u751f\u6210\u7684\u7ed3\u6784\u8986\u76d6\u4e86\u65b0\u51a0\u75c5\u6bd2\u4e3b\u86cb\u767d\u9176\u957f\u65f6\u95f4\u5e73\u7a33\u6001\u52a8\u529b\u5b66\u6a21\u62df\u57282\u7ef4\u6295\u5f71\u6784\u8c61\u7a7a\u95f4\u4e2d\u5206\u5e03\u7684\u4e3b\u8981\u533a\u57df<\/figcaption><\/figure>\n\n\n\n<p id=\"caption-attachment-45469\"><\/p>\n\n\n\n<p>\u56fe3\u662f\u5c06 DiG \u5728\u56db\u79cd\u86cb\u767d\u8d28\u4e0a\u4ea7\u751f\u7684\u7ed3\u6784\u4e0e\u5b9e\u9a8c\u7ed3\u6784\u8fdb\u884c\u5bf9\u6bd4\uff0c\u6bcf\u79cd\u86cb\u767d\u8d28\u90fd\u6709\u4e24\u79cd\u53ef\u533a\u5206\u7684\u6784\u8c61\uff0c\u5bf9\u5e94\u7740\u72ec\u7279\u7684\u529f\u80fd\u72b6\u6001\u3002\u5bf9\u4e8e\u5de6\u4e0a\u7684\u817a\u82f7\u9178\u6fc0\u9176\u86cb\u767d\uff08Adenylate kinase)\u6709\u5f00\u653e\u548c\u95ed\u5408\u72b6\u6001\uff0c\u4e24\u8005\u90fd\u88abDiG\u5f88\u597d\u5730\u91c7\u6837\u3002\u7c7b\u4f3c\u5730\uff0c\u5bf9\u4e8e\u53f3\u4e0a\u7684\u836f\u7269\u8f6c\u8fd0\u86cb\u767d LmrP\uff0cDiG \u4e5f\u751f\u6210\u4e86\u5bf9\u5e94\u4e24\u4e2a\u529f\u80fd\u72b6\u6001\u7684\u7ed3\u6784\u3002\u503c\u5f97\u6ce8\u610f\u7684\u662f\uff0c\u95ed\u5408\u72b6\u6001\u662f\u901a\u8fc7\u5b9e\u9a8c\u786e\u5b9a\u7684\uff08\u7b2c\u4e8c\u5217\u4e0b\u65b9\u7684\u68d5\u8272\u793a\u4f8b\uff0cPDB ID 6t1z\uff09\uff0c\u800c\u53e6\u4e00\u79cd\u72b6\u6001\u5219\u662f\u4e0e\u5b9e\u9a8c\u6570\u636e\u4e00\u81f4\u7684 AlphaFold2 \u9884\u6d4b\u7684\u6a21\u578b\u3002\u5bf9\u4e8e\u56fe3\u5de6\u4e0b\u7684\u4eba\u7c7b B-Raf \u6fc0\u9176\u800c\u8a00\uff0c\u4e3b\u8981\u7684\u7ed3\u6784\u5dee\u5f02\u4f4d\u4e8e A \u73af (A-loop) \u533a\u548c\u9644\u8fd1\u7684\u87ba\u65cb\uff0c\u4e5f\u88ab DiG \u5f88\u597d\u5730\u6355\u83b7\u5230\u4e86\u3002\u53e6\u4e00\u4e2a\u6709\u8da3\u7684\u4f8b\u5b50\u662f\u5177\u6709\u4e24\u4e2a\u5206\u79bb\u7ed3\u6784\u57df\u7684D-\u6838\u7cd6\u7ed3\u5408\u86cb\u767d\uff08\u53f3\u4e0b\uff09\uff0c\u53ef\u4ee5\u88ab\u5305\u88c5\u6210\u4e24\u79cd\u4e0d\u540c\u7684\u6784\u8c61\u3002\u867d\u7136 DiG \u5b8c\u7f8e\u5730\u751f\u6210\u4e86\u5782\u76f4\u6784\u8c61\uff0c\u4f46\u672a\u80fd\u9884\u6d4b\u626d\u66f2\/\u503e\u659c\u6784\u8c61\u3002\u5c3d\u7ba1\u5982\u6b64\uff0cDiG \u8fd8\u662f\u751f\u6210\u4e86\u4f3c\u4e4e\u662f\u4e2d\u95f4\u6001\u7684\u6784\u8c61\u3002\u603b\u4e4b\uff0cDiG \u5c55\u793a\u4e86\u751f\u6210\u4e0e\u529f\u80fd\u76f8\u5173\u72b6\u6001\u5bf9\u5e94\u7684\u591a\u6837\u5316\u7ed3\u6784\u7684\u80fd\u529b\uff0c\u8fd9\u5728\u6b64\u524d\u4e13\u6ce8\u4e8e\u7ed3\u6784\u9884\u6d4b\u7684\u65b9\u6cd5\u4e2d\u5c1a\u672a\u5b9e\u73b0\u3002<\/p>\n\n\n\n<p><\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"490\" src=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-3-1024x490.jpg\" alt=\"\u56fe3\uff1aDiG \u5728\u4ea7\u751f\u86cb\u767d\u8d28\u591a\u79cd\u6784\u8c61\u65b9\u9762\u7684\u6027\u80fd\u3002\u57284\u79cd\u4e0d\u540c\u86cb\u767d\uff0cDiG\uff08\u8584\u5e26\u72b6\uff09\u4ea7\u751f\u7684\u7ed3\u6784\u4e0e\u5b9e\u9a8c\u786e\u5b9a\u7684\u7ed3\u6784\uff08\u5706\u67f1\uff09\u9ad8\u5ea6\u4e00\u81f4\u3002\" class=\"wp-image-1072713\" srcset=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-3-1024x490.jpg 1024w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-3-300x144.jpg 300w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-3-768x368.jpg 768w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-3-240x115.jpg 240w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-3.jpg 1101w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">\u56fe3\uff1aDiG \u5728\u4ea7\u751f\u86cb\u767d\u8d28\u591a\u79cd\u6784\u8c61\u65b9\u9762\u7684\u6027\u80fd\u3002\u57284\u79cd\u4e0d\u540c\u86cb\u767d\uff0cDiG\uff08\u8584\u5e26\u72b6\uff09\u4ea7\u751f\u7684\u7ed3\u6784\u4e0e\u5b9e\u9a8c\u786e\u5b9a\u7684\u7ed3\u6784\uff08\u5706\u67f1\uff09\u9ad8\u5ea6\u4e00\u81f4\u3002<\/figcaption><\/figure>\n\n\n\n<p id=\"caption-attachment-45470\"><\/p>\n\n\n\n<p>DiG \u7684\u53e6\u4e00\u4e2a\u5e94\u7528\u662f\u5bf9\u50ac\u5316\u5242-\u5438\u9644\u8d28\u7cfb\u7edf\u8fdb\u884c\u91c7\u6837\uff0c\u8fd9\u662f\u591a\u76f8\u50ac\u5316\u7684\u6838\u5fc3\u3002\u8bc6\u522b\u6d3b\u6027\u5438\u9644\u4f4d\u70b9\u548c\u7a33\u5b9a\u7684\u5438\u9644\u8d28\u6784\u578b\u662f\u7406\u89e3\u548c\u8bbe\u8ba1\u50ac\u5316\u5242\u7684\u5173\u952e\uff0c\u4f46\u7531\u4e8e\u590d\u6742\u7684\u8868\u9762\u5206\u5b50\u76f8\u4e92\u4f5c\u7528\uff0c\u8fd9\u9879\u5de5\u4f5c\u4e5f\u975e\u5e38\u5177\u6709\u6311\u6218\u6027\u3002\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08DFT\uff09\u8ba1\u7b97\u548c\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u7b49\u4f20\u7edf\u65b9\u6cd5\u5f80\u5f80\u975e\u5e38\u8017\u65f6\u4e14\u6210\u672c\u9ad8\u6602\uff0c\u7279\u522b\u662f\u5bf9\u4e8e\u5927\u578b\u7684\u590d\u6742\u8868\u9762\u3002DiG \u63d0\u4f9b\u4e86\u5feb\u901f\u3001\u51c6\u786e\u7684\u89e3\u51b3\u65b9\u6848\uff0c\u53ef\u4ee5\u6839\u636e\u57fa\u8d28\u548c\u5438\u9644\u8d28\u63cf\u8ff0\u7b26\uff0c\u9884\u6d4b\u5438\u9644\u4f4d\u70b9\u548c\u6784\u578b\u53ca\u5176\u76f8\u5e94\u7684\u6982\u7387\u3002DiG \u8fd8\u53ef\u4ee5\u5904\u7406\u4e0d\u540c\u7c7b\u578b\u7684\u5438\u9644\u8d28\uff0c\u5982\u5355\u539f\u5b50\u6216\u5206\u5b50\uff0c\u4ee5\u53ca\u91d1\u5c5e\u6216\u5408\u91d1\u7b49\u4e0d\u540c\u7c7b\u578b\u7684\u57fa\u8d28\u3002<\/p>\n\n\n\n<p>\u901a\u8fc7 DiG\uff0c\u7814\u7a76\u5458\u4eec\u9884\u6d4b\u4e86\u5404\u79cd\u50ac\u5316\u5242-\u5438\u9644\u8d28\u7cfb\u7edf\u7684\u5438\u9644\u4f4d\u70b9\uff0c\u5e76\u5c06\u9884\u6d4b\u7ed3\u679c\u4e0e DFT \u8ba1\u7b97\u5f97\u5230\u7684\u80fd\u91cf\u8fdb\u884c\u4e86\u6bd4\u8f83\u3002\u5982\u56fe4\u6240\u793a\uff0cDiG \u53ef\u4ee5\u627e\u5230\u6240\u6709\u7a33\u5b9a\u7684\u5438\u9644\u4f4d\u70b9\uff0c\u5e76\u4ea7\u751f\u7c7b\u4f3c\u4e8e DFT \u7ed3\u679c\u7684\u5438\u9644\u8d28\u6784\u578b\uff0c\u6548\u7387\u9ad8\u4e14\u6210\u672c\u4f4e\u3002DiG \u8fd8\u53ef\u4ee5\u4f30\u7b97\u4e0d\u540c\u5438\u9644\u6784\u578b\u7684\u5f62\u6210\u6982\u7387\uff0c\u8fd9\u4e0e DFT \u80fd\u91cf\u975e\u5e38\u4e00\u81f4\u3002<\/p>\n\n\n\n<p><\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"654\" src=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-4-1024x654.png\" alt=\"\u56fe4\uff1a\u5355\u4e2a N \u539f\u5b50\u548c O \u539f\u5b50\u5728\u50ac\u5316\u5242\u8868\u9762\u7684\u5438\u9644\u9884\u6d4b\u7ed3\u679c\u3002\u6a21\u578b\u9884\u6d4b\u7684\u50ac\u5316\u5242\u8868\u9762\u5438\u9644\u8d28\u5438\u9644\u6982\u7387\u5206\u5e03\u4e0e\u91cf\u5b50\u5316\u5b66\u8ba1\u7b97\u5f97\u5230\u7684\u76f8\u4e92\u4f5c\u7528\u80fd\u5206\u90e8\u5bf9\u6bd4\u56fe\u3002\" class=\"wp-image-1072716\" srcset=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-4-1024x654.png 1024w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-4-300x191.png 300w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-4-768x490.png 768w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-4-240x153.png 240w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-4.png 1092w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">\u56fe4\uff1a\u5355\u4e2a N \u539f\u5b50\u548c O \u539f\u5b50\u5728\u50ac\u5316\u5242\u8868\u9762\u7684\u5438\u9644\u9884\u6d4b\u7ed3\u679c\u3002\u6a21\u578b\u9884\u6d4b\u7684\u50ac\u5316\u5242\u8868\u9762\u5438\u9644\u8d28\u5438\u9644\u6982\u7387\u5206\u5e03\u4e0e\u91cf\u5b50\u5316\u5b66\u8ba1\u7b97\u5f97\u5230\u7684\u76f8\u4e92\u4f5c\u7528\u80fd\u5206\u90e8\u5bf9\u6bd4\u56fe\u3002<\/figcaption><\/figure>\n\n\n\n<p id=\"caption-attachment-45471\"><\/p>\n\n\n\n<p>DiG\u8fd8\u5728\u86cb\u767d-\u914d\u4f53\u91c7\u6837\uff0c\u9006\u8bbe\u8ba1\u7b49\u4efb\u52a1\u4e2d\u5c55\u73b0\u4e86\u524d\u6240\u672a\u6709\u7684\u80fd\u529b\u3002\u5177\u4f53\u5185\u5bb9\u8bf7\u53c2\u8003\u8bba\u6587\u539f\u6587\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\" id=\"dig\u662f\u5982\u4f55\u5de5\u4f5c\u7684\">DiG\u662f\u5982\u4f55\u5de5\u4f5c\u7684\uff1f<\/h2>\n\n\n\n<p>\u7c7b\u4f3c\u4e8e\u6a21\u62df\u9000\u706b\u8fc7\u7a0b\u7684\u6a21\u5f0f\uff0cDiG \u901a\u8fc7\u4f7f\u7528 Graphormer \u6a21\u578b\u9884\u6d4b\u4e00\u4e2a\u6269\u6563\u8fc7\u7a0b\uff0c\u5c06\u7b80\u5355\u5206\u5e03\u8f6c\u6362\u4e3a\u590d\u6742\u5206\u5e03\u3002\u7b80\u5355\u5206\u5e03\u901a\u5e38\u662f\u6807\u51c6\u9ad8\u65af\u5206\u5e03\uff0c\u590d\u6742\u5206\u5e03\u5219\u662f\u5206\u5b50\u7ed3\u6784\u7684\u5e73\u8861\u5206\u5e03\u3002\u8f6c\u6362\u662f\u4e00\u6b65\u4e00\u6b65\u8fdb\u884c\u7684\uff0c\u5982\u6b64\u5efa\u6a21\u590d\u6742\u5206\u5e03\u7684\u96be\u5ea6\u4fbf\u88ab\u62c6\u89e3\u5230\u6bcf\u4e00\u6b65\u6210\u4e3a\u8f83\u4e3a\u7b80\u5355\u7684\u95ee\u9898\u3002<\/p>\n\n\n\n<p><\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"319\" src=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-5-1024x319.png\" alt=\"\u56fe5\uff1aDiG \u7684\u8bbe\u8ba1\u548c\u9aa8\u5e72\u67b6\u6784\" class=\"wp-image-1072719\" srcset=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-5-1024x319.png 1024w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-5-300x93.png 300w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-5-768x239.png 768w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-5-240x75.png 240w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/08\/dig-5.png 1396w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">\u56fe5\uff1aDiG \u7684\u8bbe\u8ba1\u548c\u9aa8\u5e72\u67b6\u6784<\/figcaption><\/figure>\n\n\n\n<p id=\"caption-attachment-45472\"><\/p>\n\n\n\n<p>DiG \u53ef\u4ee5\u4f7f\u7528\u4e0d\u540c\u7c7b\u578b\u7684\u6570\u636e\u6216\u4fe1\u606f\u6765\u8fdb\u884c\u8bad\u7ec3\u3002DiG 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\u4f7f\u7528\u751f\u6210\u5f0f AI \u6280\u672f\uff0c\u53ef\u4ee5\u5728\u591a\u79cd\u5206\u5b50\u7cfb\u7edf\u4e2d\u5bf9\u7b26\u5408\u5e73\u8861\u5206\u5e03\u7684\u5206\u5b50\u7ed3\u6784\u8fdb\u884c\u91c7\u6837\u3002\u7814\u7a76\u5458\u4eec\u5728\u5305\u62ec\u86cb\u767d\u8d28\u5728\u5185\u7684\u4e0d\u540c\u7c7b\u522b\u7684\u5206\u5b50\u4e0a\u5c55\u793a\u4e86 DiG \u7684\u7075\u6d3b\u6027\uff0c\u540c\u65f6\u4e5f\u8bc1\u660e\u4e86\u4ee5\u8fd9\u79cd\u65b9\u5f0f\u751f\u6210\u7684\u5355\u4e00\u7ed3\u6784\u662f\u7b26\u5408\u7269\u7406\u5316\u5b66\u76f8\u4e92\u4f5c\u7528\u89c4\u5f8b\u7684\u3002<\/p>\n\n\n\n<p>\u7136\u800c\uff0c\u8981\u83b7\u5f97\u5bf9\u4efb\u610f\u5206\u5b50\u7cfb\u7edf\u5e73\u8861\u5206\u5e03\u66f4\u7cbe\u51c6\u7684\u9884\u6d4b\uff0c\u4ecd\u9700\u8981\u8fdb\u884c\u66f4\u591a\u7684\u7814\u7a76\u3002\u5fae\u8f6f\u7814\u7a76\u9662\u5e0c\u671b DiG 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\uff08https:\/\/www.msra.cn\/zh-cn\/news\/features\/ogb-lsc\uff09<\/p>\n\n\n\n<p>[2] \u516c\u5f00\u50ac\u5316\u5242\u6311\u6218\u8d5b\u51a0\u519b\u6a21\u578b\u3001\u901a\u7528AI\u5206\u5b50\u6a21\u62df\u5e93Graphormer\u5f00\u6e90\uff01\uff08https:\/\/www.msra.cn\/zh-cn\/news\/features\/graphormer\uff09<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u4f5c\u8005\uff1a\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3 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Transformer\uff0c\u53ef\u4ee5\u6709\u6548\u5730\u5bf9\u5206\u5b50\u7ed3\u6784\u8fdb\u884c\u7406\u89e3\u548c\u5efa\u6a21\uff0c\u5728\u5206\u5b50\u79d1\u5b66\u4e2d\u8868\u73b0\u51fa\u4e86\u4f18\u5f02\u7684\u6027\u80fd\uff0c\u5728\u91cf\u5b50\u5316\u5b66\u6216\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u4e2d\u4e5f\u5f97\u5230\u4e86\u5e94\u7528[3][4]\u3002\u73b0\u5728\uff0cDiG \u5177\u6709\u66f4\u65b0\u3001\u66f4\u5f3a\u5927\u7684\u529f\u80fd\u2014\u2014\u901a\u8fc7\u6df1\u5ea6\u795e\u7ecf\u7f51\u7edc\u76f4\u63a5\u9884\u6d4b\u5e73\u8861\u5206\u5e03\u3002 DiG \u53d7\u5230\u70ed\u529b\u5b66\u548c\u4f18\u5316\u7684\u7ecf\u5178\u65b9\u6cd5\u2014\u2014\u6a21\u62df\u9000\u706b\u7b97\u6cd5\uff08simulated 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