{"id":1094748,"date":"2024-10-17T03:04:06","date_gmt":"2024-10-17T10:04:06","guid":{"rendered":"https:\/\/www.microsoft.com\/en-us\/research\/?post_type=msr-blog-post&#038;p=1094748"},"modified":"2024-10-17T03:04:09","modified_gmt":"2024-10-17T10:04:09","slug":"haiguang-liu","status":"publish","type":"msr-blog-post","link":"https:\/\/www.microsoft.com\/en-us\/research\/articles\/haiguang-liu\/","title":{"rendered":"\u5218\u6d77\u5e7f\uff1a\u53d1\u6325\u201c\u751f\u7269\u591a\u6837\u6027\u201d\u6cd5\u5219\u7684\u529b\u91cf\uff0c\u5bfb\u627e\u79d1\u5b66\u7684\u65b0\u7b54\u6848"},"content":{"rendered":"\n<p>\u7f16\u8005\u6309\uff1a\u5218\u6d77\u5e7f\u662f\u4e00\u4f4d\u5178\u578b\u7684\u8de8\u5b66\u79d1\u7814\u7a76\u8005\uff0c\u4ed6\u7684\u5b66\u672f\u8db3\u8ff9\u904d\u5e03\u7269\u7406\u3001\u751f\u7269\u3001\u8ba1\u7b97\u673a\u79d1\u5b66\u548c\u4eba\u5de5\u667a\u80fd\u7b49\u591a\u4e2a\u9886\u57df\uff0c\u5728\u8de8\u5b66\u79d1\u7684\u5b66\u4e60\u4e0e\u7814\u7a76\u4e2d\u4e0d\u65ad\u63a2\u7d22\u548c\u7a81\u7834\u3002\u5982\u4eca\uff0c\u4f5c\u4e3a\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\uff08Microsoft Research AI for Science\uff09\u7684\u9996\u5e2d\u7814\u7a76\u5458\uff0c\u5218\u6d77\u5e7f\u5728\u8de8\u5b66\u79d1\u7814\u7a76\u4e2d\u53d6\u5f97\u4e86\u54ea\u4e9b\u6210\u679c\uff1f\u4ed6\u548c\u56e2\u961f\u53c8\u5c06\u5982\u4f55\u5229\u7528\u4eba\u5de5\u667a\u80fd\u6280\u672f\u6765\u52a0\u901f\u79d1\u5b66\u7814\u7a76\u8fdb\u7a0b\uff0c\u5e76\u63a8\u52a8\u79d1\u7814\u6210\u679c\u5411\u5b9e\u9645\u5e94\u7528\u8f6c\u5316\uff1f<\/p>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity\"\/>\n\n\n\n<p>\u4ece\u6e05\u534e\u5927\u5b66\u8f6c\u5b66\u81f3\u9999\u6e2f\u6d78\u4f1a\u5927\u5b66\uff0c\u4e3a\u4ec0\u4e48\u4f1a\u505a\u51fa\u8fd9\u4e2a\u9009\u62e9\uff1f\u719f\u6089\u5218\u6d77\u5e7f\u7684\u4eba\u90fd\u4f1a\u5bf9\u6b64\u611f\u5230\u597d\u5947\u3002\u201c\u6027\u683c\u6240\u81f4\u3002\u6211\u4e00\u76f4\u6e34\u671b\u63a2\u7d22\u672a\u77e5\uff0c\u89c1\u8bc6\u4e0d\u540c\u7684\u4e16\u754c\u3002\u4eba\u751f\u672c\u6765\u5c31\u5f88\u77ed\u6682\uff0c\u6211\u4eec\u5e94\u8be5\u575a\u5b9a\u5730\u8ffd\u968f\u5185\u5fc3\u7684\u4fe1\u5ff5\u3002\u7279\u522b\u662f\u5f53\u4f60\u5bf9\u67d0\u4ef6\u4e8b\u5145\u6ee1\u70ed\u60c5\u65f6\uff0c\u65e0\u8bba\u9009\u62e9\u54ea\u6761\u8def\uff0c\u6700\u7ec8\u90fd\u4f1a\u671d\u7740\u5185\u5fc3\u7684\u76ee\u6807\u524d\u8fdb\u3002\u6240\u4ee5\u65e0\u8bba\u662f\u7559\u5728\u6e05\u534e\u5927\u5b66\u8fd8\u662f\u6d78\u4f1a\u5927\u5b66\uff0c\u6211\u6700\u7ec8\u4f9d\u7136\u4f1a\u6295\u8eab\u4e8e\u79d1\u5b66\u7814\u7a76\uff0c\u73b0\u5728\u770b\u6765\u90fd\u662f\u6b8a\u9014\u540c\u5f52\u7684\u3002\u201d\u5218\u6d77\u5e7f\u8bf4\u9053\u3002<\/p>\n\n\n\n<p>\u5218\u6d77\u5e7f\u59cb\u7ec8\u575a\u6301\u201c\u5fc3\u4e4b\u6240\u60f3\uff0c\u529b\u4e4b\u6240\u53ca\u201d\u7684\u505a\u4e8b\u51c6\u5219\uff0c\u4ed6\u575a\u4fe1\u79d1\u5b66\u7814\u7a76\u7684\u76ee\u6807\u662f\u9020\u798f\u4e8e\u4eba\u30022022\u5e74\uff0c\u5e26\u7740\u201c\u8ba9\u79d1\u5b66\u7814\u7a76\u6210\u679c\u5728\u73b0\u5b9e\u4e16\u754c\u843d\u5730\u5b9e\u7528\u201d\u7684\u60f3\u6cd5\uff0c\u5218\u6d77\u5e7f\u4ece\u7eaf\u5b66\u672f\u7814\u7a76\u9886\u57df\u6765\u5230\u4e86\u5fae\u8f6f\u7814\u7a76\u9662\u3002\u5728\u52a0\u5165\u5fae\u8f6f\u4e4b\u524d\uff0c\u4ed6\u5728\u5b66\u672f\u9053\u8def\u4e0a\u4e0d\u65ad\u63a2\u7d22\u8de8\u5b66\u79d1\u7814\u7a76\u7684\u6df1\u5ea6\u4e0e\u5e7f\u5ea6\uff0c\u800c\u5fae\u8f6f\u7814\u7a76\u9662\u5219\u4e3a\u4ed6\u63d0\u4f9b\u4e86\u4e00\u4e2a\u66f4\u5177\u521b\u65b0\u6027\u548c\u5f71\u54cd\u529b\u7684\u5e73\u53f0\u3002\u5982\u4eca\uff0c\u4f5c\u4e3a\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\uff08Microsoft Research AI for Science\uff09\u7684\u9996\u5e2d\u7814\u7a76\u5458\uff0c\u5218\u6d77\u5e7f\u6b63\u501f\u52a9\u524d\u6cbf\u7684\u4eba\u5de5\u667a\u80fd\u6280\u672f\uff0c\u52a0\u901f\u79d1\u5b66\u7814\u7a76\u8fdb\u7a0b\uff0c\u63a8\u52a8\u79d1\u7814\u6210\u679c\u5411\u5b9e\u9645\u5e94\u7528\u8f6c\u5316\uff0c\u9010\u6b65\u5c06\u81ea\u5df1\u7684\u613f\u666f\u53d8\u4e3a\u73b0\u5b9e\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"768\" src=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-1-1024x768.jpg\" alt=\"a man standing in front of a computer\" class=\"wp-image-1094760\" srcset=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-1-1024x768.jpg 1024w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-1-300x225.jpg 300w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-1-768x576.jpg 768w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-1-1536x1152.jpg 1536w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-1-2048x1536.jpg 2048w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-1-80x60.jpg 80w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-1-240x180.jpg 240w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u9996\u5e2d\u7814\u7a76\u5458\u5218\u6d77\u5e7f<\/figcaption><\/figure>\n\n\n\n<h2 class=\"wp-block-heading\" id=\"\u63a2\u7d22\u79d1\u5b66\u9886\u57df\u7684\u9690\u85cf\u89d2\u843d\">\u63a2\u7d22\u79d1\u5b66\u9886\u57df\u7684\u9690\u85cf\u89d2\u843d<\/h2>\n\n\n\n<p>\u5218\u6d77\u5e7f\u53ef\u8c13\u662f\u8de8\u5b66\u79d1\u7814\u7a76\u7684\u8d44\u6df1\u63a2\u7d22\u8005\u30021999\u5e74\uff0c\u5218\u6d77\u5e7f\u88ab\u6e05\u534e\u5927\u5b66\u5f55\u53d6\uff0c\u7531\u6b64\u5f00\u542f\u4e86\u4ed6\u4ee5\u7269\u7406\u5b66\u4e3a\u8d77\u70b9\u7684\u5b66\u672f\u751f\u6daf\u3002\u5728\u6e05\u534e\u7684\u5b66\u4e60\u751f\u6daf\u521a\u521a\u5f00\u59cb\uff0c\u4e00\u6b21\u8f6c\u53d8\u7684\u673a\u4f1a\u5c31\u51fa\u73b0\u5728\u4e86\u5218\u6d77\u5e7f\u7684\u9762\u524d\u2014\u2014\u9999\u6e2f\u6d78\u4f1a\u5927\u5b66\u9762\u5411\u5185\u5730\u9ad8\u6821\u62db\u751f\u3002\u6e34\u671b\u201c\u62d3\u5bbd\u89c6\u91ce\u201d\u7684\u5218\u6d77\u5e7f\u6293\u4f4f\u4e86\u8fd9\u6b21\u673a\u4f1a\uff0c\u8f6c\u800c\u5728\u9999\u6e2f\u6d78\u4f1a\u5927\u5b66\u7ee7\u7eed\u4ed6\u7684\u7269\u7406\u4e13\u4e1a\u5b66\u4e60\uff0c\u5e08\u4ece\u8457\u540d\u7edf\u8ba1\u7269\u7406\u5b66\u5bb6\u6c64\u96f7\u7ff0\u6559\u6388\u3002<\/p>\n\n\n\n<p>\u4f46\u4e0d\u540c\u7684\u662f\uff0c\u8fd9\u4e00\u6b21\u4ed6\u9009\u62e9\u4e86\u4e00\u4e2a\u878d\u5408\u4e86\u7269\u7406\u5b66\u4e0e\u8ba1\u7b97\u673a\u79d1\u5b66\u7684\u4ea4\u53c9\u4e13\u4e1a\uff0c\u540c\u65f6\u5b66\u4e60\u7269\u7406\u7cfb\u548c\u8ba1\u7b97\u673a\u7cfb\u4e24\u4e2a\u5b66\u79d1\u7684\u6838\u5fc3\u8bfe\u7a0b\u3002\u6700\u540e\u7684\u6bd5\u4e1a\u8bba\u6587\u7814\u7a76\u5219\u5c06\u8ba1\u7b97\u65b9\u6cd5\u5e94\u7528\u4e8e\u4e86\u751f\u7269\u7269\u7406\u4f53\u7cfb\u4e2d\uff0c\u7279\u522b\u662f\u9488\u5bf9\u86cb\u767d\u8d28\u7ed3\u6784\u4e0e\u52a8\u529b\u5b66\u7684\u7814\u7a76\u3002\u201c\u8fd9\u4e00\u4e13\u4e1a\u878d\u5408\u4e86\u8ba1\u7b97\u673a\u3001\u7269\u7406\u3001\u751f\u7269\u5b66\u4e09\u4e2a\u5b66\u79d1\uff0c\u8ba9\u6211\u81ea\u7136\u800c\u7136\u5730\u8de8\u8d8a\u4e86\u7269\u7406\u5b66\uff0c\u8fdb\u5165\u4e86\u8ba1\u7b97\u673a\u79d1\u5b66\u4e0e\u751f\u7269\u5b66\u7684\u4ea4\u53c9\u9886\u57df\u3002\u201d\u5218\u6d77\u5e7f\u8bf4\u3002<\/p>\n\n\n\n<p>\u5927\u5b66\u6bd5\u4e1a\u540e\uff0c\u5218\u6d77\u5e7f\u9009\u62e9\u51fa\u56fd\u6df1\u9020\uff0c\u5728\u7f8e\u56fd\u52a0\u5dde\u5927\u5b66\u6234\u7ef4\u65af\u5206\u6821\u83b7\u5f97\u4e86\u535a\u58eb\u5b66\u4f4d\u3002\u5728\u8fd9\u4e00\u65f6\u671f\uff0c\u4ed6\u7684\u7814\u7a76\u4fa7\u91cd\u4e8e\u8fd0\u7528\u7269\u7406\u601d\u7ef4\u6765\u62bd\u8c61\u751f\u7269\u5b66\u673a\u5236\uff0c\u5e76\u901a\u8fc7\u8ba1\u7b97\u7684\u65b9\u6cd5\u6a21\u62df\u751f\u7269\u5206\u5b50\u7684\u52a8\u529b\u5b66\u53d8\u5316\u8fc7\u7a0b\u3002\u968f\u7740\u5bf9\u4ea4\u53c9\u5b66\u79d1\u7814\u7a76\u7684\u6df1\u5165\uff0c\u5218\u6d77\u5e7f\u53d1\u73b0\u8fd9\u79cd\u8de8\u5b66\u79d1\u7814\u7a76\u5b58\u5728\u4e00\u4e9b\u5c40\u9650\u6027\u3002<\/p>\n\n\n\n<p>\u9996\u5148\uff0c\u53d7\u5f53\u65f6\u8ba1\u7b97\u80fd\u529b\u7684\u9650\u5236\uff0c\u5373\u4f7f\u662f\u7528\u5f53\u65f6\u6700\u5148\u8fdb\u7684\u8d85\u7ea7\u8ba1\u7b97\u673a\u4e5f\u65e0\u6cd5\u7cbe\u786e\u63cf\u8ff0\u4e0a\u4e07\u4e2a\u539f\u5b50\u7ec4\u6210\u7684\u86cb\u767d\u8d28\u5206\u5b50\u4f53\u7cfb\uff0c\u6240\u4ee5\u53ea\u80fd\u5c06\u5176\u91cd\u8981\u7279\u5f81\u62bd\u8c61\u4e3a\u7269\u7406\u6a21\u578b\uff0c\u4f46\u8fd9\u5728\u79d1\u5b66\u7814\u7a76\u4e2d\u4e0d\u591f\u4e25\u8c28\uff1b\u5176\u6b21\uff0c\u4ece\u8ba1\u7b97\u7269\u7406\u89d2\u5ea6\u51fa\u53d1\u7684\u8de8\u751f\u7269\u5b66\u79d1\u7814\u7a76\uff0c\u5bf9\u751f\u7269\u4f53\u7cfb\u7684\u62bd\u8c61\u63cf\u8ff0\u7531\u4e8e\u6a21\u578b\u81ea\u8eab\u7684\u7f3a\u9677\uff0c\u5373\u4fbf\u62e5\u6709\u5f3a\u5927\u7684\u8ba1\u7b97\u8d44\u6e90\u80fd\u591f\u8fdb\u884c\u6a21\u62df\uff0c\u83b7\u5f97\u7684\u7ed3\u679c\u7684\u7f6e\u4fe1\u5ea6\u548c\u53ef\u9760\u6027\u4e5f\u4e0d\u80fd\u66ff\u4ee3\u5b9e\u9a8c\u6d4b\u91cf\u3002<\/p>\n\n\n\n<p>\u56e0\u6b64\uff0c\u5728\u535a\u58eb\u6bd5\u4e1a\u540e\u7684\u804c\u4e1a\u9009\u62e9\u4e0a\uff0c\u5218\u6d77\u5e7f\u660e\u786e\u4e86\u76ee\u6807\uff1a\u81f4\u529b\u4e8e\u8de8\u5b66\u79d1\u7814\u7a76\u3002\u5f7c\u65f6\uff0c\u7f8e\u56fd\u52b3\u4f26\u65af\u4f2f\u514b\u5229\u56fd\u5bb6\u5b9e\u9a8c\u5ba4\u6b63\u5728\u7814\u53d1\u4e00\u79cd\u65b9\u6cd5\u5229\u7528 X \u5149\u63a2\u6d4b\u751f\u7269\u5206\u5b50\u7ed3\u6784\u548c\u52a8\u529b\u5b66\u53d8\u5316\uff0c\u6025\u9700\u76f8\u5e94\u7684\u8ba1\u7b97\u65b9\u6cd5\u89e3\u8bfb\u6570\u636e\uff0c\u8fd9\u6b63\u662f\u5218\u6d77\u5e7f\u80fd\u591f\u53d1\u6325\u4e13\u957f\u7684\u673a\u4f1a\u3002\u5728\u4f2f\u514b\u5229\u56fd\u5bb6\u5b9e\u9a8c\u5ba4\uff0c\u4ed6\u4e0d\u4ec5\u8fd0\u7528\u8ba1\u7b97\u65b9\u6cd5\u5c06\u590d\u6742\u7684\u751f\u7269\u6570\u636e\u8f6c\u5316\u4e3a\u6709\u610f\u4e49\u3001\u6709\u4ef7\u503c\u7684\u6a21\u578b\uff0c\u800c\u4e14\u5b9e\u9a8c\u5ba4\u7684\u751f\u7269\u5b9e\u9a8c\u4e5f\u52a0\u6df1\u4e86\u4ed6\u5bf9\u8de8\u5b66\u79d1\u77e5\u8bc6\u7684\u7406\u89e3\u3002\u5728\u8fd9\u91cc\uff0c\u5218\u6d77\u5e7f\u771f\u6b63\u5b9e\u73b0\u4e86\u4ece\u7eaf\u7cb9\u7684\u8ba1\u7b97\u7814\u7a76\u5411\u4e0e\u5b9e\u9a8c\u76f8\u7ed3\u5408\u7684\u4ea4\u53c9\u9886\u57df\u7814\u7a76\u7684\u8f6c\u53d8\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"768\" src=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-2-1024x768.jpg\" alt=\"\uff08\u53ef\u80fd\u662f\uff09\u7b2c\u4e00\u4e2a\u5728\u7f8e\u56fdSLAC\u56fd\u5bb6\u5b9e\u9a8c\u5ba4\u5403\u8783\u87f9\u7684\u4eba\" class=\"wp-image-1094763\" srcset=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-2-1024x768.jpg 1024w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-2-300x225.jpg 300w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-2-768x576.jpg 768w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-2-80x60.jpg 80w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-2-240x180.jpg 240w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-2.jpg 1267w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">\uff08\u53ef\u80fd\u662f\uff09\u7b2c\u4e00\u4e2a\u5728\u7f8e\u56fdSLAC\u56fd\u5bb6\u5b9e\u9a8c\u5ba4\u5403\u8783\u87f9\u7684\u4eba<\/figcaption><\/figure>\n\n\n\n<p>\u6cbf\u7740\u8fd9\u4e00\u7814\u7a76\u65b9\u5411\uff0c\u5218\u6d77\u5e7f\u53c8\u5728\u4e9a\u5229\u6851\u90a3\u5dde\u7acb\u5927\u5b66\u7269\u7406\u7cfb\/BioXFEL \u4e2d\u5fc3\u5b8c\u6210\u4e86\u535a\u58eb\u540e\u5de5\u4f5c\u3002\u5728\u53d6\u5f97\u4e86\u4e00\u7cfb\u5217\u6210\u679c\u4e4b\u540e\uff0c\u4ed6\u9009\u62e9\u4e86\u56de\u56fd\u53d1\u5c55\uff0c\u52a0\u5165\u5317\u4eac\u8ba1\u7b97\u79d1\u5b66\u7814\u7a76\u4e2d\u5fc3\uff0c\u7ec4\u5efa\u4e86\u81ea\u5df1\u7684\u79d1\u7814\u56e2\u961f\uff0c\u4e0e\u56fd\u5185\u5916\u5927\u5b66\u548c\u7814\u7a76\u673a\u6784\u5408\u4f5c\uff0c\u901a\u8fc7\u6574\u5408\u591a\u79cd\u5b9e\u9a8c\u624b\u6bb5\u548c\u8ba1\u7b97\u65b9\u6cd5\uff0c\u6df1\u5165\u63a2\u7d22\u751f\u7269\u5206\u5b50\u7684\u7ed3\u6784\u3001\u52a8\u529b\u5b66\u548c\u529f\u80fd\uff0c\u6301\u7eed\u5728\u8ba1\u7b97\u673a\u4e0e\u751f\u7269\u5b66\u9886\u57df\u8fdb\u884c\u8de8\u5b66\u79d1\u7684\u7814\u7a76\u4e0e\u521b\u65b0\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\" id=\"\u505a\u5b9e\u7528\u4e3b\u4e49\u7684\u79d1\u5b66\u7814\u7a76\">\u505a\u5b9e\u7528\u4e3b\u4e49\u7684\u79d1\u5b66\u7814\u7a76<\/h2>\n\n\n\n<p>\u968f\u7740\u8ba1\u7b97\u80fd\u529b\u7684\u63d0\u5347\u548c\u4eba\u5de5\u667a\u80fd\u6280\u672f\u7684\u53d1\u5c55\uff0c\u8ba1\u7b97\u65b9\u6cd5\u4e0e\u8de8\u9886\u57df\u7814\u7a76\u7684\u7ed3\u5408\u65e5\u76ca\u7d27\u5bc6\uff0c\u663e\u8457\u52a0\u5feb\u4e86\u79d1\u5b66\u53d1\u73b0\u7684\u6b65\u4f10\u3002\u57282015\u81f32022\u5e74\u7684\u4e03\u5e74\u65f6\u95f4\u91cc\uff0c\u5218\u6d77\u5e7f\u5e26\u9886\u56e2\u961f\u53d6\u5f97\u4e86\u4e00\u7cfb\u5217\u7a81\u7834\u6027\u6210\u679c\u3002\u7136\u800c\uff0c\u8fd9\u4e9b\u6210\u679c\u5f80\u5f80\u53ea\u505c\u7559\u5728\u8bba\u6587\u9636\u6bb5\u3002\u201c\u6211\u66f4\u5e0c\u671b\u5c06\u8fd9\u4e9b\u7814\u7a76\u6210\u679c\u8f6c\u5316\u4e3a\u5b9e\u7528\u5de5\u5177\uff0c\u8ba9\u66f4\u591a\u4eba\u53d7\u76ca\u3002\u4f46\u5728\u7eaf\u7cb9\u7684\u5b66\u672f\u754c\uff0c\u8fd9\u4e9b\u7814\u7a76\u5f88\u96be\u76f4\u63a5\u5e94\u7528\u4e8e\u5b9e\u8df5\u3002\u201d\u5218\u6d77\u5e7f\u8bf4\u3002<\/p>\n\n\n\n<p>\u201c\u5fae\u8f6f\u7814\u7a76\u9662\u63d0\u4f9b\u4e86\u4e00\u4e2a\u65e2\u80fd\u8fdb\u884c\u79d1\u5b66\u6280\u672f\u7814\u7a76\uff0c\u53c8\u80fd\u7d27\u5bc6\u5bf9\u63a5\u5de5\u4e1a\u9700\u6c42\u7684\u7edd\u4f73\u5e73\u53f0\uff0c\u8ba9\u6211\u4eec\u53ef\u4ee5\u4e13\u6ce8\u4e8e\u79d1\u5b66\u7814\u7a76\u7684\u63a2\u7d22\u3001\u6280\u672f\u4ea7\u54c1\u7684\u8f6c\u5316\u53ca\u5176\u5b9e\u9645\u5e94\u7528\u3002\u4f8b\u5982\uff0c\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u7684\u4e00\u4e9b\u7814\u7a76\u6210\u679c\u5df2\u7ecf\u8f6c\u5316\u4e3a\u5de5\u5177\uff0c\u5e76\u5728\u5fae\u8f6f Azure \u4e91\u5e73\u53f0\u4e0a\u90e8\u7f72\uff0c\u4f7f\u66f4\u591a\u4eba\u80fd\u591f\u53d7\u76ca\u4e8e\u521b\u65b0\u6280\u672f\u3002\u201d\u8fd9\u4fbf\u662f\u5218\u6d77\u5e7f\u773c\u4e2d\u7684\u5fae\u8f6f\u7814\u7a76\u9662\uff0c\u4e5f\u662f\u4ed6\u9009\u62e9\u52a0\u5165\u7684\u539f\u56e0\u3002<\/p>\n\n\n\n<p>\u76ee\u524d\uff0c\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u7684\u7814\u7a76\u65b9\u5411\u6db5\u76d6\u4e86\u9762\u5411\u81ea\u7136\u79d1\u5b66\u7684\u4eba\u5de5\u667a\u80fd\u6a21\u578b\u3001\u57fa\u4e8e\u4eba\u5de5\u667a\u80fd\u7684\u79d1\u5b66\u8ba1\u7b97\u548c\u79d1\u5b66\u53d1\u73b0\u7b49\u591a\u4e2a\u9886\u57df\uff0c\u5177\u4f53\u5305\u62ec\u836f\u7269\u7814\u53d1\u3001\u751f\u547d\u79d1\u5b66\u3001\u6750\u6599\u79d1\u5b66\u7b49\u3002\u5218\u6d77\u5e7f\u7684\u7814\u7a76\u91cd\u70b9\u96c6\u4e2d\u5728\u4e0e\u4eba\u7c7b\u5065\u5eb7\u7d27\u5bc6\u76f8\u5173\u7684\u836f\u7269\u7814\u53d1\u9886\u57df\uff1a\u57fa\u4e8e\u9776\u70b9\u86cb\u767d\u8d28\u7684\u5316\u5408\u7269\u8bbe\u8ba1\u4ee5\u53ca\u5bf9\u86cb\u767d\u8d28\u672c\u8eab\u7684\u6df1\u5165\u7814\u7a76\u3002<\/p>\n\n\n\n<p>\u9488\u5bf9\u7279\u5b9a\u9776\u70b9\u86cb\u767d\u7684\u5316\u5408\u7269\u8bbe\u8ba1\uff0c\u5218\u6d77\u5e7f\u53ca\u56e2\u961f\u5f00\u53d1\u4e86\u5316\u5408\u7269\u7814\u7a76\u5de5\u5177 TamGen\uff0c\u76f8\u5173\u8bba\u6587\u5df2\u88ab\u300a\u81ea\u7136-\u901a\u8baf\u300b\uff08Nature Communications\uff09\u6742\u5fd7\u63a5\u6536\u3002\u4e0e\u901a\u8fc7\u8ba1\u7b97\u7b5b\u9009\u9884\u5b9a\u4e49\u5316\u5408\u7269\u5e93\u7684\u865a\u62df\u7b5b\u9009\u65b9\u6cd5\u76f8\u6bd4\uff0c\u57fa\u4e8e\u9776\u70b9\u86cb\u767d\u7ed3\u6784\u7684\u4ece\u5934\u836f\u7269\u8bbe\u8ba1\u80fd\u591f\u63d0\u4f9b\u65b0\u7684\u5019\u9009\u836f\u7269\u3002TamGen \u662f\u96c6\u6210\u4e86 Transformer \u9776\u6807\u611f\u77e5\u5206\u5b50\u751f\u6210\u5668\u7684\u751f\u6210\u89e3\u51b3\u65b9\u6848\uff0c\u80fd\u591f\u76f4\u63a5\u4ece\u96f6\u5f00\u59cb\u4e3a\u7279\u5b9a\u9776\u70b9\u751f\u6210\u5019\u9009\u836f\u7269\uff0c\u6269\u5927\u4e86\u73b0\u6709\u5316\u5408\u7269\u7684\u7b5b\u9009\u8303\u56f4\uff0c\u4e3a\u65b0\u836f\u53d1\u73b0\u63d0\u4f9b\u4e86\u66f4\u591a\u53ef\u80fd\u6027\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"689\" src=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-3-1024x689.png\" alt=\"TamGen \u793a\u610f\u56fe\" class=\"wp-image-1094766\" srcset=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-3-1024x689.png 1024w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-3-300x202.png 300w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-3-768x517.png 768w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-3-240x161.png 240w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-3.png 1030w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">TamGen \u793a\u610f\u56fe<\/figcaption><\/figure>\n\n\n\n<p>\u5bf9\u4e8e\u86cb\u767d\u8d28\u672c\u8eab\u7684\u7814\u7a76\uff0c\u5218\u6d77\u5e7f\u53ca\u56e2\u961f\u4e13\u6ce8\u4e8e\u86cb\u767d\u8d28\u7ed3\u6784\u53ca\u5176\u52a8\u529b\u5b66\u6027\u8d28\uff0c\u4ee5\u53ca\u6c28\u57fa\u9178\u7a81\u53d8\u6027\u8d28\u7684\u63a2\u7d22\u3002\u5728\u836f\u7269\u7814\u53d1\u4e2d\uff0c\u5bf9\u9776\u70b9\u86cb\u767d\u7684\u6df1\u5165\u7406\u89e3\u81f3\u5173\u91cd\u8981\uff0c\u56e0\u4e3a\u4e00\u65e6\u9776\u70b9\u86cb\u767d\u53d1\u751f\u7a81\u53d8\uff0c\u53ef\u80fd\u5bfc\u81f4\u836f\u7269\u6548\u679c\u964d\u4f4e\u751a\u81f3\u5b8c\u5168\u5931\u6548\u3002\u4f20\u7edf\u7684\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u65b9\u6cd5\u5728\u5206\u5b50\u7ed3\u6784\u91c7\u6837\u5206\u6790\u65f6\u5b58\u5728\u5c40\u9650\uff0c\u5f80\u5f80\u53ea\u80fd\u6355\u6349\u5230\u5206\u5b50\u7684\u521d\u59cb\u72b6\u6001\uff0c\u65e0\u6cd5\u5168\u9762\u63cf\u8ff0\u5176\u5728\u4e0d\u540c\u6761\u4ef6\u4e0b\u7684\u884c\u4e3a\u3002<\/p>\n\n\n\n<p>\u9488\u5bf9\u8fd9\u4e00\u95ee\u9898\uff0c\u5218\u6d77\u5e7f\u548c\u540c\u4e8b\u4eec\u5f00\u53d1\u4e86\u7528\u4e8e\u5206\u5b50\u7ed3\u6784\u5e73\u8861\u5206\u5e03\u9884\u6d4b\u7684\u6df1\u5ea6\u5b66\u4e60\u6846\u67b6 Distributional Graphormer\uff08DiG\uff09\u3002\u8fd9\u9879\u521b\u65b0\u6280\u672f\u80fd\u591f\u5feb\u901f\u751f\u6210\u591a\u6837\u5316\u7684\u5206\u5b50\u6784\u8c61\uff0c\u4e3a\u4ece\u5355\u4e00\u7ed3\u6784\u9884\u6d4b\u5230\u5e73\u8861\u5206\u5e03\u9884\u6d4b\u7684\u7a81\u7834\u5960\u5b9a\u4e86\u57fa\u7840\u3002DiG \u7684\u5f00\u53d1\u4e0d\u4ec5\u4e3a\u5206\u5b50\u79d1\u5b66\u5f00\u8f9f\u4e86\u65b0\u7684\u7814\u7a76\u65b9\u5411\uff0c\u4e5f\u4e3a\u836f\u7269\u8bbe\u8ba1\u548c\u6750\u6599\u79d1\u5b66\u9886\u57df\u63d0\u4f9b\u4e86\u65b0\u7684\u5de5\u5177\u3002\u76f8\u5173\u7814\u7a76\u6210\u679c\u5df2\u53d1\u8868\u5728\u300a\u81ea\u7136-\u673a\u5668\u667a\u80fd\u300b(Nature Machine Intelligence)\u6742\u5fd7\u4e0a\u3002<\/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\/10\/haiguang-liu-4-1024x319.png\" alt=\"Distributional Graphormer \u793a\u610f\u56fe\" class=\"wp-image-1094769\" srcset=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-4-1024x319.png 1024w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-4-300x93.png 300w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-4-768x239.png 768w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-4-240x75.png 240w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-4.png 1274w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">Distributional Graphormer \u793a\u610f\u56fe<\/figcaption><\/figure>\n\n\n\n<p>\u6b64\u5916\uff0c\u4f5c\u4e3a\u4e00\u540d\u62e5\u6709\u4e30\u5bcc\u8de8\u5b66\u79d1\u7814\u7a76\u7ecf\u9a8c\u7684\u7814\u7a76\u5458\uff0c\u5218\u6d77\u5e7f\u79ef\u6781\u81f4\u529b\u4e8e\u63a8\u52a8\u4e0d\u540c\u9886\u57df\u95f4\u7684\u5408\u4f5c\u3002\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u4f1a\u5b9a\u671f\u4e3e\u529e\u79d1\u5b66\u8bba\u575b\uff0c\u9080\u8bf7\u5168\u7403\u7684\u4e13\u5bb6\u5b66\u8005\u5206\u4eab\u9886\u57df\u77e5\u8bc6\u548c\u524d\u6cbf\u7814\u7a76\u6210\u679c\uff0c\u4fc3\u8fdb\u5b66\u672f\u754c\u4e0e\u5de5\u4e1a\u754c\u7684\u4ea4\u6d41\u4e0e\u5408\u4f5c\uff0c\u52a0\u901f\u79d1\u6280\u6210\u679c\u7684\u843d\u5730\u5e94\u7528\u3002<\/p>\n\n\n\n<p>\u4eca\u5e745\u6708\uff0c\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u4e0e\u897f\u6e56\u5927\u5b66\u8054\u5408\u4e3e\u529e\u4e86\u4e00\u573a\u5b66\u672f\u7814\u8ba8\u4f1a\uff0c\u53cc\u65b9\u5206\u4eab\u4e86\u5728\u836f\u7269\u7814\u53d1\u3001\u751f\u547d\u79d1\u5b66\u548c\u6750\u6599\u79d1\u5b66\u9886\u57df\u7684\u6700\u65b0\u6210\u679c\u3002\u201c\u6211\u4eec\u8fd8\u4e0e\u5168\u7403\u5065\u5eb7\u836f\u7269\u7814\u53d1\u4e2d\u5fc3\uff08GHDDI\uff09\u5408\u4f5c\uff0c\u5229\u7528 TamGen \u5e73\u53f0\u4e3a\u80ba\u7ed3\u6838\u548c\u51a0\u72b6\u75c5\u6bd2\u7b49\u5168\u7403\u6027\u4f20\u67d3\u75c5\u8bbe\u8ba1\u4e86\u9ad8\u6548\u7684\u65b0\u5019\u9009\u836f\u7269\uff0c\u4e3a\u6cbb\u7597\u8fd9\u4e9b\u75be\u75c5\u63d0\u4f9b\u4e86\u65b0\u7684\u5e0c\u671b\u3002\u201d\u5218\u6d77\u5e7f\u4ecb\u7ecd\u9053\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\" id=\"ai-for-science-\u52a0\u901f\u8de8\u5b66\u79d1\u7814\u7a76\u7684\u667a\u80fd\u5f15\u64ce\">AI for Science\uff1a\u52a0\u901f\u8de8\u5b66\u79d1\u7814\u7a76\u7684\u667a\u80fd\u5f15\u64ce<\/h2>\n\n\n\n<p>\u5728 AI for Science \u7684\u7814\u7a76\u4e2d\uff0c\u4eba\u5de5\u667a\u80fd\u7684\u6700\u5927\u4f18\u52bf\u5728\u4e8e\u5176\u63d0\u5347\u6548\u7387\u548c\u77e5\u8bc6\u63d0\u53d6\u7684\u80fd\u529b\u3002\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u8fd0\u7528\u673a\u5668\u5b66\u4e60\u6280\u672f\uff0c\u663e\u8457\u52a0\u5feb\u4e86\u836f\u7269\u7814\u7a76\u548c\u6750\u6599\u53d1\u73b0\u7684\u8ba1\u7b97\u901f\u5ea6\uff0c\u5b9e\u73b0\u4e86\u6570\u5341\u751a\u81f3\u6570\u767e\u500d\u7684\u63d0\u5347\u3002\u201c\u5728\u6211\u8bfb\u535a\u671f\u95f4\uff0c\u4e00\u6b21\u4eff\u771f\u6a21\u62df\u9700\u8981\u4e24\u4e09\u4e2a\u6708\u624d\u80fd\u5b8c\u6210\uff0c\u73b0\u5728\u4e00\u4e24\u5929\u5c31\u80fd\u5f97\u51fa\u7ed3\u679c\u3002\u201d\u5218\u6d77\u5e7f\u8bf4\uff0c\u201c\u5728\u4fe1\u606f\u7206\u70b8\u7684\u4eca\u5929\uff0c\u4eba\u5de5\u667a\u80fd\u548c\u5927\u8bed\u8a00\u6a21\u578b\u8fd8\u80fd\u5e2e\u52a9\u6211\u4eec\u66f4\u5feb\u5730\u53d1\u73b0\u548c\u7406\u89e3\u5176\u4ed6\u9886\u57df\u7684\u77e5\u8bc6\uff0c\u5e76\u5b9a\u671f\u66f4\u65b0\u6211\u4eec\u7684\u77e5\u8bc6\u5e93\u3002\u4eba\u5de5\u667a\u80fd\u50cf\u4e00\u4f4d\u535a\u5b66\u591a\u624d\u7684\u52a9\u624b\uff0c\u80fd\u591f\u89e6\u7c7b\u65c1\u901a\uff0c\u8fd9\u5bf9\u4e8e\u8de8\u5b66\u79d1\u548c\u8de8\u9886\u57df\u7684\u7814\u7a76\u81f3\u5173\u91cd\u8981\u3002\u201d<\/p>\n\n\n\n<p>\u5218\u6d77\u5e7f\u8ba4\u4e3a\uff0c\u4eba\u5de5\u667a\u80fd\u6280\u672f\u5728\u751f\u7269\u7814\u7a76\u7684\u5404\u4e2a\u73af\u8282\u90fd\u80fd\u53d1\u6325\u91cd\u8981\u4f5c\u7528\uff0c\u4fc3\u8fdb\u6211\u4eec\u5bf9\u5206\u5b50\u7ed3\u6784\u548c\u76f8\u5173\u6570\u636e\u7684\u6df1\u5165\u89e3\u8bfb\u3002\u4ee5\u773c\u775b\u611f\u5149\u86cb\u767d\u2014\u2014\u89c6\u9ec4\u7d20\u86cb\u767d\u7684\u7814\u7a76\u4e3a\u4f8b\uff0c\u8fd9\u79cd\u86cb\u767d\u4f4d\u4e8e\u7ec6\u80de\u819c\u4e0a\uff0c\u80fd\u5728\u5149\u7167\u4e0b\u5229\u7528\u5149\u80fd\u5b8c\u6210\u5bf9\u79bb\u5b50\u6216\u8005\u4fe1\u53f7\u7684\u4f20\u8f93\u3002\u7814\u7a76\u89c6\u9ec4\u7d20\u86cb\u767d\u7684\u5de5\u4f5c\u539f\u7406\u9700\u8981\u4f9d\u8d56\u591a\u79cd\u5b9e\u9a8c\u65b9\u6cd5\uff0c\u5305\u62ec\u7ed3\u6784\u751f\u7269\u5b66\u3001\u5149\u8c31\u5b66\u3001\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u548c\u9ad8\u7cbe\u5ea6\u8d85\u5feb\u7684\u663e\u5fae\u62cd\u6444\u6280\u672f\u7b49\u3002\u800c\u73b0\u5728\uff0c\u4eba\u5de5\u667a\u80fd\u53ef\u4ee5\u5e94\u7528\u4e8e\u8fd9\u4e9b\u7814\u7a76\u7684\u6bcf\u4e2a\u73af\u8282\uff0c\u63d0\u5347\u8ba1\u7b97\u6548\u7387\uff0c\u52a0\u901f\u79d1\u5b66\u53d1\u73b0\u7684\u8fdb\u7a0b\u3002<\/p>\n\n\n\n<p>\u4e0e\u6b64\u540c\u65f6\uff0c\u4eba\u5de5\u667a\u80fd\u4f5c\u4e3a\u4e00\u9879\u878d\u5408\u4e86\u591a\u5b66\u79d1\u548c\u591a\u9886\u57df\u77e5\u8bc6\u7684\u6280\u672f\uff0c\u65e0\u8bba\u662f\u5728\u5176\u81ea\u8eab\u53d1\u5c55\u8fc7\u7a0b\u4e2d\uff0c\u8fd8\u662f\u5728\u4e0e\u5404\u884c\u5404\u4e1a\u7684\u8de8\u754c\u878d\u5408\u4e2d\uff0c\u90fd\u8feb\u5207\u9700\u8981\u8de8\u9886\u57df\u4eba\u624d\u7684\u652f\u6301\u3002\u5fae\u8f6f\u7814\u7a76\u9662\u6c47\u805a\u4e86\u6765\u81ea\u4e0d\u540c\u9886\u57df\u548c\u80cc\u666f\u7684\u9876\u5c16\u4eba\u624d\uff0c\u5e76\u4e0e\u4f17\u591a\u9ad8\u6821\u548c\u4f01\u4e1a\u4fdd\u6301\u6df1\u5165\u5408\u4f5c\uff0c\u4e0d\u4ec5\u63a8\u52a8\u4e86\u521b\u65b0\u6280\u672f\u5728\u73b0\u5b9e\u4e16\u754c\u4e2d\u7684\u5e94\u7528\uff0c\u66f4\u6709\u52a9\u4e8e\u63a8\u52a8\u8de8\u9886\u57df\u7684\u79d1\u5b66\u7814\u7a76\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"768\" src=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-5-1024x768.jpg\" alt=\"\u5218\u6d77\u5e7f\uff08\u53f3\u4e00\uff09\u4e0e\u540c\u4e8b\u4eec\u8bbf\u95ee\u76d6\u8328\u57fa\u91d1\u4f1a\" class=\"wp-image-1094772\" srcset=\"https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-5-1024x768.jpg 1024w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-5-300x225.jpg 300w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-5-768x576.jpg 768w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-5-80x60.jpg 80w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-5-240x180.jpg 240w, https:\/\/www.microsoft.com\/en-us\/research\/wp-content\/uploads\/2024\/10\/haiguang-liu-5.jpg 1269w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">\u5218\u6d77\u5e7f\uff08\u53f3\u4e00\uff09\u4e0e\u540c\u4e8b\u4eec\u8bbf\u95ee\u76d6\u8328\u57fa\u91d1\u4f1a<\/figcaption><\/figure>\n\n\n\n<p>\u201c\u8fd9\u91cc\u7684\u7814\u7a76\u5458\u5145\u6ee1\u6d3b\u529b\u4e14\u5bcc\u6709\u4e2a\u6027\uff0c\u6211\u4eec\u53ef\u4ee5\u968f\u65f6\u4ea4\u6d41\u548c\u8fa9\u8bba\uff0c\u8fd9\u79cd\u591a\u6837\u6027\u548c\u5305\u5bb9\u6027\u662f\u4e00\u4e2a\u4f18\u79c0\u7814\u7a76\u673a\u6784\u4e0d\u53ef\u6216\u7f3a\u7684\u7279\u8d28\u3002\u8fd9\u5c31\u5982\u540c\u7ec6\u83cc\u7fa4\u843d\u9700\u8981\u4fdd\u6301\u591a\u6837\u6027\u4e00\u6837\uff0c\u5982\u679c\u7fa4\u843d\u4ec5\u7531\u5355\u4e00\u7c7b\u578b\u7684\u7ec6\u83cc\u6784\u6210\uff0c\u5f53\u73af\u5883\u53d8\u5f97\u4e0d\u5229\u65f6\uff0c\u5f88\u5bb9\u6613\u5bfc\u81f4\u6574\u4e2a\u7fa4\u843d\u7684\u6d88\u4ea1\u3002\u76f8\u53cd\uff0c\u751f\u7269\u591a\u6837\u6027\u7684\u5b58\u5728\u610f\u5473\u7740\u53ea\u6709\u90e8\u5206\u7c7b\u578b\u7684\u7ec6\u83cc\u4f1a\u53d7\u5230\u5f71\u54cd\uff0c\u800c\u7ec6\u83cc\u7fa4\u843d\u6574\u4f53\u4ecd\u80fd\u5b58\u7eed\u3002\u6b63\u662f\u5177\u5907\u8fd9\u79cd\u97e7\u6027\u548c\u591a\u6837\u6027\uff0c\u5fae\u8f6f\u7814\u7a76\u9662\u624d\u5f97\u4ee5\u5728\u8fc7\u53bb\u7684\u4e09\u5341\u591a\u5e74\u4e2d\u4e00\u76f4\u7a33\u6b65\u53d1\u5c55\uff0c\u5e76\u59cb\u7ec8\u4fdd\u6301\u7740\u521b\u65b0\u7684\u6d3b\u529b\u3002\u201d\u5218\u6d77\u5e7f\u8bf4\u3002<\/p>\n\n\n\n<p>\u76f8\u5173\u94fe\u63a5\uff1a<\/p>\n\n\n\n<p><a href=\"https:\/\/www.microsoft.com\/en-us\/research\/articles\/distributional-graphormer\/\">Distributional Graphormer\uff1a\u4ece\u5206\u5b50\u7ed3\u6784\u9884\u6d4b\u5230\u5e73\u8861\u5206\u5e03\u9884\u6d4b<\/a><\/p>\n\n\n\n<p><a class=\"msr-external-link glyph-append glyph-append-open-in-new-tab glyph-append-xsmall\" href=\"https:\/\/www.biorxiv.org\/content\/10.1101\/2024.01.08.574635v2.full.pdf\">TamGen: Target-aware Molecule Generation for Drug Design Using a Chemical Language Model<span class=\"sr-only\"> (opens in new tab)<\/span><\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u7f16\u8005\u6309\uff1a\u5218\u6d77\u5e7f\u662f\u4e00\u4f4d\u5178\u578b\u7684\u8de8\u5b66\u79d1\u7814\u7a76\u8005\uff0c\u4ed6\u7684\u5b66\u672f\u8db3\u8ff9\u904d\u5e03\u7269\u7406\u3001\u751f\u7269\u3001\u8ba1\u7b97\u673a\u79d1\u5b66\u548c\u4eba\u5de5\u667a\u80fd\u7b49\u591a\u4e2a\u9886\u57df\uff0c\u5728\u8de8\u5b66\u79d1\u7684\u5b66\u4e60\u4e0e\u7814\u7a76\u4e2d\u4e0d\u65ad\u63a2\u7d22\u548c\u7a81\u7834\u3002\u5982\u4eca\uff0c\u4f5c\u4e3a\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\uff08Microsoft Research AI for Science\uff09\u7684\u9996\u5e2d\u7814\u7a76\u5458\uff0c\u5218\u6d77\u5e7f\u5728\u8de8\u5b66\u79d1\u7814\u7a76\u4e2d\u53d6\u5f97\u4e86\u54ea\u4e9b\u6210\u679c\uff1f\u4ed6\u548c\u56e2\u961f\u53c8\u5c06\u5982\u4f55\u5229\u7528\u4eba\u5de5\u667a\u80fd\u6280\u672f\u6765\u52a0\u901f\u79d1\u5b66\u7814\u7a76\u8fdb\u7a0b\uff0c\u5e76\u63a8\u52a8\u79d1\u7814\u6210\u679c\u5411\u5b9e\u9645\u5e94\u7528\u8f6c\u5316\uff1f \u4ece\u6e05\u534e\u5927\u5b66\u8f6c\u5b66\u81f3\u9999\u6e2f\u6d78\u4f1a\u5927\u5b66\uff0c\u4e3a\u4ec0\u4e48\u4f1a\u505a\u51fa\u8fd9\u4e2a\u9009\u62e9\uff1f\u719f\u6089\u5218\u6d77\u5e7f\u7684\u4eba\u90fd\u4f1a\u5bf9\u6b64\u611f\u5230\u597d\u5947\u3002\u201c\u6027\u683c\u6240\u81f4\u3002\u6211\u4e00\u76f4\u6e34\u671b\u63a2\u7d22\u672a\u77e5\uff0c\u89c1\u8bc6\u4e0d\u540c\u7684\u4e16\u754c\u3002\u4eba\u751f\u672c\u6765\u5c31\u5f88\u77ed\u6682\uff0c\u6211\u4eec\u5e94\u8be5\u575a\u5b9a\u5730\u8ffd\u968f\u5185\u5fc3\u7684\u4fe1\u5ff5\u3002\u7279\u522b\u662f\u5f53\u4f60\u5bf9\u67d0\u4ef6\u4e8b\u5145\u6ee1\u70ed\u60c5\u65f6\uff0c\u65e0\u8bba\u9009\u62e9\u54ea\u6761\u8def\uff0c\u6700\u7ec8\u90fd\u4f1a\u671d\u7740\u5185\u5fc3\u7684\u76ee\u6807\u524d\u8fdb\u3002\u6240\u4ee5\u65e0\u8bba\u662f\u7559\u5728\u6e05\u534e\u5927\u5b66\u8fd8\u662f\u6d78\u4f1a\u5927\u5b66\uff0c\u6211\u6700\u7ec8\u4f9d\u7136\u4f1a\u6295\u8eab\u4e8e\u79d1\u5b66\u7814\u7a76\uff0c\u73b0\u5728\u770b\u6765\u90fd\u662f\u6b8a\u9014\u540c\u5f52\u7684\u3002\u201d\u5218\u6d77\u5e7f\u8bf4\u9053\u3002 \u5218\u6d77\u5e7f\u59cb\u7ec8\u575a\u6301\u201c\u5fc3\u4e4b\u6240\u60f3\uff0c\u529b\u4e4b\u6240\u53ca\u201d\u7684\u505a\u4e8b\u51c6\u5219\uff0c\u4ed6\u575a\u4fe1\u79d1\u5b66\u7814\u7a76\u7684\u76ee\u6807\u662f\u9020\u798f\u4e8e\u4eba\u30022022\u5e74\uff0c\u5e26\u7740\u201c\u8ba9\u79d1\u5b66\u7814\u7a76\u6210\u679c\u5728\u73b0\u5b9e\u4e16\u754c\u843d\u5730\u5b9e\u7528\u201d\u7684\u60f3\u6cd5\uff0c\u5218\u6d77\u5e7f\u4ece\u7eaf\u5b66\u672f\u7814\u7a76\u9886\u57df\u6765\u5230\u4e86\u5fae\u8f6f\u7814\u7a76\u9662\u3002\u5728\u52a0\u5165\u5fae\u8f6f\u4e4b\u524d\uff0c\u4ed6\u5728\u5b66\u672f\u9053\u8def\u4e0a\u4e0d\u65ad\u63a2\u7d22\u8de8\u5b66\u79d1\u7814\u7a76\u7684\u6df1\u5ea6\u4e0e\u5e7f\u5ea6\uff0c\u800c\u5fae\u8f6f\u7814\u7a76\u9662\u5219\u4e3a\u4ed6\u63d0\u4f9b\u4e86\u4e00\u4e2a\u66f4\u5177\u521b\u65b0\u6027\u548c\u5f71\u54cd\u529b\u7684\u5e73\u53f0\u3002\u5982\u4eca\uff0c\u4f5c\u4e3a\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\uff08Microsoft Research AI for Science\uff09\u7684\u9996\u5e2d\u7814\u7a76\u5458\uff0c\u5218\u6d77\u5e7f\u6b63\u501f\u52a9\u524d\u6cbf\u7684\u4eba\u5de5\u667a\u80fd\u6280\u672f\uff0c\u52a0\u901f\u79d1\u5b66\u7814\u7a76\u8fdb\u7a0b\uff0c\u63a8\u52a8\u79d1\u7814\u6210\u679c\u5411\u5b9e\u9645\u5e94\u7528\u8f6c\u5316\uff0c\u9010\u6b65\u5c06\u81ea\u5df1\u7684\u613f\u666f\u53d8\u4e3a\u73b0\u5b9e\u3002 \u5218\u6d77\u5e7f\u53ef\u8c13\u662f\u8de8\u5b66\u79d1\u7814\u7a76\u7684\u8d44\u6df1\u63a2\u7d22\u8005\u30021999\u5e74\uff0c\u5218\u6d77\u5e7f\u88ab\u6e05\u534e\u5927\u5b66\u5f55\u53d6\uff0c\u7531\u6b64\u5f00\u542f\u4e86\u4ed6\u4ee5\u7269\u7406\u5b66\u4e3a\u8d77\u70b9\u7684\u5b66\u672f\u751f\u6daf\u3002\u5728\u6e05\u534e\u7684\u5b66\u4e60\u751f\u6daf\u521a\u521a\u5f00\u59cb\uff0c\u4e00\u6b21\u8f6c\u53d8\u7684\u673a\u4f1a\u5c31\u51fa\u73b0\u5728\u4e86\u5218\u6d77\u5e7f\u7684\u9762\u524d\u2014\u2014\u9999\u6e2f\u6d78\u4f1a\u5927\u5b66\u9762\u5411\u5185\u5730\u9ad8\u6821\u62db\u751f\u3002\u6e34\u671b\u201c\u62d3\u5bbd\u89c6\u91ce\u201d\u7684\u5218\u6d77\u5e7f\u6293\u4f4f\u4e86\u8fd9\u6b21\u673a\u4f1a\uff0c\u8f6c\u800c\u5728\u9999\u6e2f\u6d78\u4f1a\u5927\u5b66\u7ee7\u7eed\u4ed6\u7684\u7269\u7406\u4e13\u4e1a\u5b66\u4e60\uff0c\u5e08\u4ece\u8457\u540d\u7edf\u8ba1\u7269\u7406\u5b66\u5bb6\u6c64\u96f7\u7ff0\u6559\u6388\u3002 \u4f46\u4e0d\u540c\u7684\u662f\uff0c\u8fd9\u4e00\u6b21\u4ed6\u9009\u62e9\u4e86\u4e00\u4e2a\u878d\u5408\u4e86\u7269\u7406\u5b66\u4e0e\u8ba1\u7b97\u673a\u79d1\u5b66\u7684\u4ea4\u53c9\u4e13\u4e1a\uff0c\u540c\u65f6\u5b66\u4e60\u7269\u7406\u7cfb\u548c\u8ba1\u7b97\u673a\u7cfb\u4e24\u4e2a\u5b66\u79d1\u7684\u6838\u5fc3\u8bfe\u7a0b\u3002\u6700\u540e\u7684\u6bd5\u4e1a\u8bba\u6587\u7814\u7a76\u5219\u5c06\u8ba1\u7b97\u65b9\u6cd5\u5e94\u7528\u4e8e\u4e86\u751f\u7269\u7269\u7406\u4f53\u7cfb\u4e2d\uff0c\u7279\u522b\u662f\u9488\u5bf9\u86cb\u767d\u8d28\u7ed3\u6784\u4e0e\u52a8\u529b\u5b66\u7684\u7814\u7a76\u3002\u201c\u8fd9\u4e00\u4e13\u4e1a\u878d\u5408\u4e86\u8ba1\u7b97\u673a\u3001\u7269\u7406\u3001\u751f\u7269\u5b66\u4e09\u4e2a\u5b66\u79d1\uff0c\u8ba9\u6211\u81ea\u7136\u800c\u7136\u5730\u8de8\u8d8a\u4e86\u7269\u7406\u5b66\uff0c\u8fdb\u5165\u4e86\u8ba1\u7b97\u673a\u79d1\u5b66\u4e0e\u751f\u7269\u5b66\u7684\u4ea4\u53c9\u9886\u57df\u3002\u201d\u5218\u6d77\u5e7f\u8bf4\u3002 \u5927\u5b66\u6bd5\u4e1a\u540e\uff0c\u5218\u6d77\u5e7f\u9009\u62e9\u51fa\u56fd\u6df1\u9020\uff0c\u5728\u7f8e\u56fd\u52a0\u5dde\u5927\u5b66\u6234\u7ef4\u65af\u5206\u6821\u83b7\u5f97\u4e86\u535a\u58eb\u5b66\u4f4d\u3002\u5728\u8fd9\u4e00\u65f6\u671f\uff0c\u4ed6\u7684\u7814\u7a76\u4fa7\u91cd\u4e8e\u8fd0\u7528\u7269\u7406\u601d\u7ef4\u6765\u62bd\u8c61\u751f\u7269\u5b66\u673a\u5236\uff0c\u5e76\u901a\u8fc7\u8ba1\u7b97\u7684\u65b9\u6cd5\u6a21\u62df\u751f\u7269\u5206\u5b50\u7684\u52a8\u529b\u5b66\u53d8\u5316\u8fc7\u7a0b\u3002\u968f\u7740\u5bf9\u4ea4\u53c9\u5b66\u79d1\u7814\u7a76\u7684\u6df1\u5165\uff0c\u5218\u6d77\u5e7f\u53d1\u73b0\u8fd9\u79cd\u8de8\u5b66\u79d1\u7814\u7a76\u5b58\u5728\u4e00\u4e9b\u5c40\u9650\u6027\u3002 \u9996\u5148\uff0c\u53d7\u5f53\u65f6\u8ba1\u7b97\u80fd\u529b\u7684\u9650\u5236\uff0c\u5373\u4f7f\u662f\u7528\u5f53\u65f6\u6700\u5148\u8fdb\u7684\u8d85\u7ea7\u8ba1\u7b97\u673a\u4e5f\u65e0\u6cd5\u7cbe\u786e\u63cf\u8ff0\u4e0a\u4e07\u4e2a\u539f\u5b50\u7ec4\u6210\u7684\u86cb\u767d\u8d28\u5206\u5b50\u4f53\u7cfb\uff0c\u6240\u4ee5\u53ea\u80fd\u5c06\u5176\u91cd\u8981\u7279\u5f81\u62bd\u8c61\u4e3a\u7269\u7406\u6a21\u578b\uff0c\u4f46\u8fd9\u5728\u79d1\u5b66\u7814\u7a76\u4e2d\u4e0d\u591f\u4e25\u8c28\uff1b\u5176\u6b21\uff0c\u4ece\u8ba1\u7b97\u7269\u7406\u89d2\u5ea6\u51fa\u53d1\u7684\u8de8\u751f\u7269\u5b66\u79d1\u7814\u7a76\uff0c\u5bf9\u751f\u7269\u4f53\u7cfb\u7684\u62bd\u8c61\u63cf\u8ff0\u7531\u4e8e\u6a21\u578b\u81ea\u8eab\u7684\u7f3a\u9677\uff0c\u5373\u4fbf\u62e5\u6709\u5f3a\u5927\u7684\u8ba1\u7b97\u8d44\u6e90\u80fd\u591f\u8fdb\u884c\u6a21\u62df\uff0c\u83b7\u5f97\u7684\u7ed3\u679c\u7684\u7f6e\u4fe1\u5ea6\u548c\u53ef\u9760\u6027\u4e5f\u4e0d\u80fd\u66ff\u4ee3\u5b9e\u9a8c\u6d4b\u91cf\u3002 \u56e0\u6b64\uff0c\u5728\u535a\u58eb\u6bd5\u4e1a\u540e\u7684\u804c\u4e1a\u9009\u62e9\u4e0a\uff0c\u5218\u6d77\u5e7f\u660e\u786e\u4e86\u76ee\u6807\uff1a\u81f4\u529b\u4e8e\u8de8\u5b66\u79d1\u7814\u7a76\u3002\u5f7c\u65f6\uff0c\u7f8e\u56fd\u52b3\u4f26\u65af\u4f2f\u514b\u5229\u56fd\u5bb6\u5b9e\u9a8c\u5ba4\u6b63\u5728\u7814\u53d1\u4e00\u79cd\u65b9\u6cd5\u5229\u7528 X \u5149\u63a2\u6d4b\u751f\u7269\u5206\u5b50\u7ed3\u6784\u548c\u52a8\u529b\u5b66\u53d8\u5316\uff0c\u6025\u9700\u76f8\u5e94\u7684\u8ba1\u7b97\u65b9\u6cd5\u89e3\u8bfb\u6570\u636e\uff0c\u8fd9\u6b63\u662f\u5218\u6d77\u5e7f\u80fd\u591f\u53d1\u6325\u4e13\u957f\u7684\u673a\u4f1a\u3002\u5728\u4f2f\u514b\u5229\u56fd\u5bb6\u5b9e\u9a8c\u5ba4\uff0c\u4ed6\u4e0d\u4ec5\u8fd0\u7528\u8ba1\u7b97\u65b9\u6cd5\u5c06\u590d\u6742\u7684\u751f\u7269\u6570\u636e\u8f6c\u5316\u4e3a\u6709\u610f\u4e49\u3001\u6709\u4ef7\u503c\u7684\u6a21\u578b\uff0c\u800c\u4e14\u5b9e\u9a8c\u5ba4\u7684\u751f\u7269\u5b9e\u9a8c\u4e5f\u52a0\u6df1\u4e86\u4ed6\u5bf9\u8de8\u5b66\u79d1\u77e5\u8bc6\u7684\u7406\u89e3\u3002\u5728\u8fd9\u91cc\uff0c\u5218\u6d77\u5e7f\u771f\u6b63\u5b9e\u73b0\u4e86\u4ece\u7eaf\u7cb9\u7684\u8ba1\u7b97\u7814\u7a76\u5411\u4e0e\u5b9e\u9a8c\u76f8\u7ed3\u5408\u7684\u4ea4\u53c9\u9886\u57df\u7814\u7a76\u7684\u8f6c\u53d8\u3002 \u6cbf\u7740\u8fd9\u4e00\u7814\u7a76\u65b9\u5411\uff0c\u5218\u6d77\u5e7f\u53c8\u5728\u4e9a\u5229\u6851\u90a3\u5dde\u7acb\u5927\u5b66\u7269\u7406\u7cfb\/BioXFEL \u4e2d\u5fc3\u5b8c\u6210\u4e86\u535a\u58eb\u540e\u5de5\u4f5c\u3002\u5728\u53d6\u5f97\u4e86\u4e00\u7cfb\u5217\u6210\u679c\u4e4b\u540e\uff0c\u4ed6\u9009\u62e9\u4e86\u56de\u56fd\u53d1\u5c55\uff0c\u52a0\u5165\u5317\u4eac\u8ba1\u7b97\u79d1\u5b66\u7814\u7a76\u4e2d\u5fc3\uff0c\u7ec4\u5efa\u4e86\u81ea\u5df1\u7684\u79d1\u7814\u56e2\u961f\uff0c\u4e0e\u56fd\u5185\u5916\u5927\u5b66\u548c\u7814\u7a76\u673a\u6784\u5408\u4f5c\uff0c\u901a\u8fc7\u6574\u5408\u591a\u79cd\u5b9e\u9a8c\u624b\u6bb5\u548c\u8ba1\u7b97\u65b9\u6cd5\uff0c\u6df1\u5165\u63a2\u7d22\u751f\u7269\u5206\u5b50\u7684\u7ed3\u6784\u3001\u52a8\u529b\u5b66\u548c\u529f\u80fd\uff0c\u6301\u7eed\u5728\u8ba1\u7b97\u673a\u4e0e\u751f\u7269\u5b66\u9886\u57df\u8fdb\u884c\u8de8\u5b66\u79d1\u7684\u7814\u7a76\u4e0e\u521b\u65b0\u3002 \u968f\u7740\u8ba1\u7b97\u80fd\u529b\u7684\u63d0\u5347\u548c\u4eba\u5de5\u667a\u80fd\u6280\u672f\u7684\u53d1\u5c55\uff0c\u8ba1\u7b97\u65b9\u6cd5\u4e0e\u8de8\u9886\u57df\u7814\u7a76\u7684\u7ed3\u5408\u65e5\u76ca\u7d27\u5bc6\uff0c\u663e\u8457\u52a0\u5feb\u4e86\u79d1\u5b66\u53d1\u73b0\u7684\u6b65\u4f10\u3002\u57282015\u81f32022\u5e74\u7684\u4e03\u5e74\u65f6\u95f4\u91cc\uff0c\u5218\u6d77\u5e7f\u5e26\u9886\u56e2\u961f\u53d6\u5f97\u4e86\u4e00\u7cfb\u5217\u7a81\u7834\u6027\u6210\u679c\u3002\u7136\u800c\uff0c\u8fd9\u4e9b\u6210\u679c\u5f80\u5f80\u53ea\u505c\u7559\u5728\u8bba\u6587\u9636\u6bb5\u3002\u201c\u6211\u66f4\u5e0c\u671b\u5c06\u8fd9\u4e9b\u7814\u7a76\u6210\u679c\u8f6c\u5316\u4e3a\u5b9e\u7528\u5de5\u5177\uff0c\u8ba9\u66f4\u591a\u4eba\u53d7\u76ca\u3002\u4f46\u5728\u7eaf\u7cb9\u7684\u5b66\u672f\u754c\uff0c\u8fd9\u4e9b\u7814\u7a76\u5f88\u96be\u76f4\u63a5\u5e94\u7528\u4e8e\u5b9e\u8df5\u3002\u201d\u5218\u6d77\u5e7f\u8bf4\u3002 \u201c\u5fae\u8f6f\u7814\u7a76\u9662\u63d0\u4f9b\u4e86\u4e00\u4e2a\u65e2\u80fd\u8fdb\u884c\u79d1\u5b66\u6280\u672f\u7814\u7a76\uff0c\u53c8\u80fd\u7d27\u5bc6\u5bf9\u63a5\u5de5\u4e1a\u9700\u6c42\u7684\u7edd\u4f73\u5e73\u53f0\uff0c\u8ba9\u6211\u4eec\u53ef\u4ee5\u4e13\u6ce8\u4e8e\u79d1\u5b66\u7814\u7a76\u7684\u63a2\u7d22\u3001\u6280\u672f\u4ea7\u54c1\u7684\u8f6c\u5316\u53ca\u5176\u5b9e\u9645\u5e94\u7528\u3002\u4f8b\u5982\uff0c\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u7684\u4e00\u4e9b\u7814\u7a76\u6210\u679c\u5df2\u7ecf\u8f6c\u5316\u4e3a\u5de5\u5177\uff0c\u5e76\u5728\u5fae\u8f6f Azure \u4e91\u5e73\u53f0\u4e0a\u90e8\u7f72\uff0c\u4f7f\u66f4\u591a\u4eba\u80fd\u591f\u53d7\u76ca\u4e8e\u521b\u65b0\u6280\u672f\u3002\u201d\u8fd9\u4fbf\u662f\u5218\u6d77\u5e7f\u773c\u4e2d\u7684\u5fae\u8f6f\u7814\u7a76\u9662\uff0c\u4e5f\u662f\u4ed6\u9009\u62e9\u52a0\u5165\u7684\u539f\u56e0\u3002 \u76ee\u524d\uff0c\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u7684\u7814\u7a76\u65b9\u5411\u6db5\u76d6\u4e86\u9762\u5411\u81ea\u7136\u79d1\u5b66\u7684\u4eba\u5de5\u667a\u80fd\u6a21\u578b\u3001\u57fa\u4e8e\u4eba\u5de5\u667a\u80fd\u7684\u79d1\u5b66\u8ba1\u7b97\u548c\u79d1\u5b66\u53d1\u73b0\u7b49\u591a\u4e2a\u9886\u57df\uff0c\u5177\u4f53\u5305\u62ec\u836f\u7269\u7814\u53d1\u3001\u751f\u547d\u79d1\u5b66\u3001\u6750\u6599\u79d1\u5b66\u7b49\u3002\u5218\u6d77\u5e7f\u7684\u7814\u7a76\u91cd\u70b9\u96c6\u4e2d\u5728\u4e0e\u4eba\u7c7b\u5065\u5eb7\u7d27\u5bc6\u76f8\u5173\u7684\u836f\u7269\u7814\u53d1\u9886\u57df\uff1a\u57fa\u4e8e\u9776\u70b9\u86cb\u767d\u8d28\u7684\u5316\u5408\u7269\u8bbe\u8ba1\u4ee5\u53ca\u5bf9\u86cb\u767d\u8d28\u672c\u8eab\u7684\u6df1\u5165\u7814\u7a76\u3002 \u9488\u5bf9\u7279\u5b9a\u9776\u70b9\u86cb\u767d\u7684\u5316\u5408\u7269\u8bbe\u8ba1\uff0c\u5218\u6d77\u5e7f\u53ca\u56e2\u961f\u5f00\u53d1\u4e86\u5316\u5408\u7269\u7814\u7a76\u5de5\u5177 TamGen\uff0c\u76f8\u5173\u8bba\u6587\u5df2\u88ab\u300a\u81ea\u7136-\u901a\u8baf\u300b\uff08Nature Communications\uff09\u6742\u5fd7\u63a5\u6536\u3002\u4e0e\u901a\u8fc7\u8ba1\u7b97\u7b5b\u9009\u9884\u5b9a\u4e49\u5316\u5408\u7269\u5e93\u7684\u865a\u62df\u7b5b\u9009\u65b9\u6cd5\u76f8\u6bd4\uff0c\u57fa\u4e8e\u9776\u70b9\u86cb\u767d\u7ed3\u6784\u7684\u4ece\u5934\u836f\u7269\u8bbe\u8ba1\u80fd\u591f\u63d0\u4f9b\u65b0\u7684\u5019\u9009\u836f\u7269\u3002TamGen \u662f\u96c6\u6210\u4e86 Transformer \u9776\u6807\u611f\u77e5\u5206\u5b50\u751f\u6210\u5668\u7684\u751f\u6210\u89e3\u51b3\u65b9\u6848\uff0c\u80fd\u591f\u76f4\u63a5\u4ece\u96f6\u5f00\u59cb\u4e3a\u7279\u5b9a\u9776\u70b9\u751f\u6210\u5019\u9009\u836f\u7269\uff0c\u6269\u5927\u4e86\u73b0\u6709\u5316\u5408\u7269\u7684\u7b5b\u9009\u8303\u56f4\uff0c\u4e3a\u65b0\u836f\u53d1\u73b0\u63d0\u4f9b\u4e86\u66f4\u591a\u53ef\u80fd\u6027\u3002 \u5bf9\u4e8e\u86cb\u767d\u8d28\u672c\u8eab\u7684\u7814\u7a76\uff0c\u5218\u6d77\u5e7f\u53ca\u56e2\u961f\u4e13\u6ce8\u4e8e\u86cb\u767d\u8d28\u7ed3\u6784\u53ca\u5176\u52a8\u529b\u5b66\u6027\u8d28\uff0c\u4ee5\u53ca\u6c28\u57fa\u9178\u7a81\u53d8\u6027\u8d28\u7684\u63a2\u7d22\u3002\u5728\u836f\u7269\u7814\u53d1\u4e2d\uff0c\u5bf9\u9776\u70b9\u86cb\u767d\u7684\u6df1\u5165\u7406\u89e3\u81f3\u5173\u91cd\u8981\uff0c\u56e0\u4e3a\u4e00\u65e6\u9776\u70b9\u86cb\u767d\u53d1\u751f\u7a81\u53d8\uff0c\u53ef\u80fd\u5bfc\u81f4\u836f\u7269\u6548\u679c\u964d\u4f4e\u751a\u81f3\u5b8c\u5168\u5931\u6548\u3002\u4f20\u7edf\u7684\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u65b9\u6cd5\u5728\u5206\u5b50\u7ed3\u6784\u91c7\u6837\u5206\u6790\u65f6\u5b58\u5728\u5c40\u9650\uff0c\u5f80\u5f80\u53ea\u80fd\u6355\u6349\u5230\u5206\u5b50\u7684\u521d\u59cb\u72b6\u6001\uff0c\u65e0\u6cd5\u5168\u9762\u63cf\u8ff0\u5176\u5728\u4e0d\u540c\u6761\u4ef6\u4e0b\u7684\u884c\u4e3a\u3002 \u9488\u5bf9\u8fd9\u4e00\u95ee\u9898\uff0c\u5218\u6d77\u5e7f\u548c\u540c\u4e8b\u4eec\u5f00\u53d1\u4e86\u7528\u4e8e\u5206\u5b50\u7ed3\u6784\u5e73\u8861\u5206\u5e03\u9884\u6d4b\u7684\u6df1\u5ea6\u5b66\u4e60\u6846\u67b6 Distributional Graphormer\uff08DiG\uff09\u3002\u8fd9\u9879\u521b\u65b0\u6280\u672f\u80fd\u591f\u5feb\u901f\u751f\u6210\u591a\u6837\u5316\u7684\u5206\u5b50\u6784\u8c61\uff0c\u4e3a\u4ece\u5355\u4e00\u7ed3\u6784\u9884\u6d4b\u5230\u5e73\u8861\u5206\u5e03\u9884\u6d4b\u7684\u7a81\u7834\u5960\u5b9a\u4e86\u57fa\u7840\u3002DiG \u7684\u5f00\u53d1\u4e0d\u4ec5\u4e3a\u5206\u5b50\u79d1\u5b66\u5f00\u8f9f\u4e86\u65b0\u7684\u7814\u7a76\u65b9\u5411\uff0c\u4e5f\u4e3a\u836f\u7269\u8bbe\u8ba1\u548c\u6750\u6599\u79d1\u5b66\u9886\u57df\u63d0\u4f9b\u4e86\u65b0\u7684\u5de5\u5177\u3002\u76f8\u5173\u7814\u7a76\u6210\u679c\u5df2\u53d1\u8868\u5728\u300a\u81ea\u7136-\u673a\u5668\u667a\u80fd\u300b(Nature Machine Intelligence)\u6742\u5fd7\u4e0a\u3002 \u6b64\u5916\uff0c\u4f5c\u4e3a\u4e00\u540d\u62e5\u6709\u4e30\u5bcc\u8de8\u5b66\u79d1\u7814\u7a76\u7ecf\u9a8c\u7684\u7814\u7a76\u5458\uff0c\u5218\u6d77\u5e7f\u79ef\u6781\u81f4\u529b\u4e8e\u63a8\u52a8\u4e0d\u540c\u9886\u57df\u95f4\u7684\u5408\u4f5c\u3002\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u4f1a\u5b9a\u671f\u4e3e\u529e\u79d1\u5b66\u8bba\u575b\uff0c\u9080\u8bf7\u5168\u7403\u7684\u4e13\u5bb6\u5b66\u8005\u5206\u4eab\u9886\u57df\u77e5\u8bc6\u548c\u524d\u6cbf\u7814\u7a76\u6210\u679c\uff0c\u4fc3\u8fdb\u5b66\u672f\u754c\u4e0e\u5de5\u4e1a\u754c\u7684\u4ea4\u6d41\u4e0e\u5408\u4f5c\uff0c\u52a0\u901f\u79d1\u6280\u6210\u679c\u7684\u843d\u5730\u5e94\u7528\u3002 \u4eca\u5e745\u6708\uff0c\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u4e0e\u897f\u6e56\u5927\u5b66\u8054\u5408\u4e3e\u529e\u4e86\u4e00\u573a\u5b66\u672f\u7814\u8ba8\u4f1a\uff0c\u53cc\u65b9\u5206\u4eab\u4e86\u5728\u836f\u7269\u7814\u53d1\u3001\u751f\u547d\u79d1\u5b66\u548c\u6750\u6599\u79d1\u5b66\u9886\u57df\u7684\u6700\u65b0\u6210\u679c\u3002\u201c\u6211\u4eec\u8fd8\u4e0e\u5168\u7403\u5065\u5eb7\u836f\u7269\u7814\u53d1\u4e2d\u5fc3\uff08GHDDI\uff09\u5408\u4f5c\uff0c\u5229\u7528 TamGen \u5e73\u53f0\u4e3a\u80ba\u7ed3\u6838\u548c\u51a0\u72b6\u75c5\u6bd2\u7b49\u5168\u7403\u6027\u4f20\u67d3\u75c5\u8bbe\u8ba1\u4e86\u9ad8\u6548\u7684\u65b0\u5019\u9009\u836f\u7269\uff0c\u4e3a\u6cbb\u7597\u8fd9\u4e9b\u75be\u75c5\u63d0\u4f9b\u4e86\u65b0\u7684\u5e0c\u671b\u3002\u201d\u5218\u6d77\u5e7f\u4ecb\u7ecd\u9053\u3002 \u5728 AI for Science \u7684\u7814\u7a76\u4e2d\uff0c\u4eba\u5de5\u667a\u80fd\u7684\u6700\u5927\u4f18\u52bf\u5728\u4e8e\u5176\u63d0\u5347\u6548\u7387\u548c\u77e5\u8bc6\u63d0\u53d6\u7684\u80fd\u529b\u3002\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u8fd0\u7528\u673a\u5668\u5b66\u4e60\u6280\u672f\uff0c\u663e\u8457\u52a0\u5feb\u4e86\u836f\u7269\u7814\u7a76\u548c\u6750\u6599\u53d1\u73b0\u7684\u8ba1\u7b97\u901f\u5ea6\uff0c\u5b9e\u73b0\u4e86\u6570\u5341\u751a\u81f3\u6570\u767e\u500d\u7684\u63d0\u5347\u3002\u201c\u5728\u6211\u8bfb\u535a\u671f\u95f4\uff0c\u4e00\u6b21\u4eff\u771f\u6a21\u62df\u9700\u8981\u4e24\u4e09\u4e2a\u6708\u624d\u80fd\u5b8c\u6210\uff0c\u73b0\u5728\u4e00\u4e24\u5929\u5c31\u80fd\u5f97\u51fa\u7ed3\u679c\u3002\u201d\u5218\u6d77\u5e7f\u8bf4\uff0c\u201c\u5728\u4fe1\u606f\u7206\u70b8\u7684\u4eca\u5929\uff0c\u4eba\u5de5\u667a\u80fd\u548c\u5927\u8bed\u8a00\u6a21\u578b\u8fd8\u80fd\u5e2e\u52a9\u6211\u4eec\u66f4\u5feb\u5730\u53d1\u73b0\u548c\u7406\u89e3\u5176\u4ed6\u9886\u57df\u7684\u77e5\u8bc6\uff0c\u5e76\u5b9a\u671f\u66f4\u65b0\u6211\u4eec\u7684\u77e5\u8bc6\u5e93\u3002\u4eba\u5de5\u667a\u80fd\u50cf\u4e00\u4f4d\u535a\u5b66\u591a\u624d\u7684\u52a9\u624b\uff0c\u80fd\u591f\u89e6\u7c7b\u65c1\u901a\uff0c\u8fd9\u5bf9\u4e8e\u8de8\u5b66\u79d1\u548c\u8de8\u9886\u57df\u7684\u7814\u7a76\u81f3\u5173\u91cd\u8981\u3002\u201d \u5218\u6d77\u5e7f\u8ba4\u4e3a\uff0c\u4eba\u5de5\u667a\u80fd\u6280\u672f\u5728\u751f\u7269\u7814\u7a76\u7684\u5404\u4e2a\u73af\u8282\u90fd\u80fd\u53d1\u6325\u91cd\u8981\u4f5c\u7528\uff0c\u4fc3\u8fdb\u6211\u4eec\u5bf9\u5206\u5b50\u7ed3\u6784\u548c\u76f8\u5173\u6570\u636e\u7684\u6df1\u5165\u89e3\u8bfb\u3002\u4ee5\u773c\u775b\u611f\u5149\u86cb\u767d\u2014\u2014\u89c6\u9ec4\u7d20\u86cb\u767d\u7684\u7814\u7a76\u4e3a\u4f8b\uff0c\u8fd9\u79cd\u86cb\u767d\u4f4d\u4e8e\u7ec6\u80de\u819c\u4e0a\uff0c\u80fd\u5728\u5149\u7167\u4e0b\u5229\u7528\u5149\u80fd\u5b8c\u6210\u5bf9\u79bb\u5b50\u6216\u8005\u4fe1\u53f7\u7684\u4f20\u8f93\u3002\u7814\u7a76\u89c6\u9ec4\u7d20\u86cb\u767d\u7684\u5de5\u4f5c\u539f\u7406\u9700\u8981\u4f9d\u8d56\u591a\u79cd\u5b9e\u9a8c\u65b9\u6cd5\uff0c\u5305\u62ec\u7ed3\u6784\u751f\u7269\u5b66\u3001\u5149\u8c31\u5b66\u3001\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u548c\u9ad8\u7cbe\u5ea6\u8d85\u5feb\u7684\u663e\u5fae\u62cd\u6444\u6280\u672f\u7b49\u3002\u800c\u73b0\u5728\uff0c\u4eba\u5de5\u667a\u80fd\u53ef\u4ee5\u5e94\u7528\u4e8e\u8fd9\u4e9b\u7814\u7a76\u7684\u6bcf\u4e2a\u73af\u8282\uff0c\u63d0\u5347\u8ba1\u7b97\u6548\u7387\uff0c\u52a0\u901f\u79d1\u5b66\u53d1\u73b0\u7684\u8fdb\u7a0b\u3002 \u4e0e\u6b64\u540c\u65f6\uff0c\u4eba\u5de5\u667a\u80fd\u4f5c\u4e3a\u4e00\u9879\u878d\u5408\u4e86\u591a\u5b66\u79d1\u548c\u591a\u9886\u57df\u77e5\u8bc6\u7684\u6280\u672f\uff0c\u65e0\u8bba\u662f\u5728\u5176\u81ea\u8eab\u53d1\u5c55\u8fc7\u7a0b\u4e2d\uff0c\u8fd8\u662f\u5728\u4e0e\u5404\u884c\u5404\u4e1a\u7684\u8de8\u754c\u878d\u5408\u4e2d\uff0c\u90fd\u8feb\u5207\u9700\u8981\u8de8\u9886\u57df\u4eba\u624d\u7684\u652f\u6301\u3002\u5fae\u8f6f\u7814\u7a76\u9662\u6c47\u805a\u4e86\u6765\u81ea\u4e0d\u540c\u9886\u57df\u548c\u80cc\u666f\u7684\u9876\u5c16\u4eba\u624d\uff0c\u5e76\u4e0e\u4f17\u591a\u9ad8\u6821\u548c\u4f01\u4e1a\u4fdd\u6301\u6df1\u5165\u5408\u4f5c\uff0c\u4e0d\u4ec5\u63a8\u52a8\u4e86\u521b\u65b0\u6280\u672f\u5728\u73b0\u5b9e\u4e16\u754c\u4e2d\u7684\u5e94\u7528\uff0c\u66f4\u6709\u52a9\u4e8e\u63a8\u52a8\u8de8\u9886\u57df\u7684\u79d1\u5b66\u7814\u7a76\u3002 \u201c\u8fd9\u91cc\u7684\u7814\u7a76\u5458\u5145\u6ee1\u6d3b\u529b\u4e14\u5bcc\u6709\u4e2a\u6027\uff0c\u6211\u4eec\u53ef\u4ee5\u968f\u65f6\u4ea4\u6d41\u548c\u8fa9\u8bba\uff0c\u8fd9\u79cd\u591a\u6837\u6027\u548c\u5305\u5bb9\u6027\u662f\u4e00\u4e2a\u4f18\u79c0\u7814\u7a76\u673a\u6784\u4e0d\u53ef\u6216\u7f3a\u7684\u7279\u8d28\u3002\u8fd9\u5c31\u5982\u540c\u7ec6\u83cc\u7fa4\u843d\u9700\u8981\u4fdd\u6301\u591a\u6837\u6027\u4e00\u6837\uff0c\u5982\u679c\u7fa4\u843d\u4ec5\u7531\u5355\u4e00\u7c7b\u578b\u7684\u7ec6\u83cc\u6784\u6210\uff0c\u5f53\u73af\u5883\u53d8\u5f97\u4e0d\u5229\u65f6\uff0c\u5f88\u5bb9\u6613\u5bfc\u81f4\u6574\u4e2a\u7fa4\u843d\u7684\u6d88\u4ea1\u3002\u76f8\u53cd\uff0c\u751f\u7269\u591a\u6837\u6027\u7684\u5b58\u5728\u610f\u5473\u7740\u53ea\u6709\u90e8\u5206\u7c7b\u578b\u7684\u7ec6\u83cc\u4f1a\u53d7\u5230\u5f71\u54cd\uff0c\u800c\u7ec6\u83cc\u7fa4\u843d\u6574\u4f53\u4ecd\u80fd\u5b58\u7eed\u3002\u6b63\u662f\u5177\u5907\u8fd9\u79cd\u97e7\u6027\u548c\u591a\u6837\u6027\uff0c\u5fae\u8f6f\u7814\u7a76\u9662\u624d\u5f97\u4ee5\u5728\u8fc7\u53bb\u7684\u4e09\u5341\u591a\u5e74\u4e2d\u4e00\u76f4\u7a33\u6b65\u53d1\u5c55\uff0c\u5e76\u59cb\u7ec8\u4fdd\u6301\u7740\u521b\u65b0\u7684\u6d3b\u529b\u3002\u201d\u5218\u6d77\u5e7f\u8bf4\u3002 \u76f8\u5173\u94fe\u63a5\uff1a Distributional Graphormer\uff1a\u4ece\u5206\u5b50\u7ed3\u6784\u9884\u6d4b\u5230\u5e73\u8861\u5206\u5e03\u9884\u6d4b TamGen: Target-aware [&hellip;]<\/p>\n","protected":false},"author":34512,"featured_media":1094775,"template":"","meta":{"msr-url-field":"","msr-podcast-episode":"","msrModifiedDate":"","msrModifiedDateEnabled":false,"ep_exclude_from_search":false,"_classifai_error":"","msr-content-parent":1012650,"footnotes":""},"research-area":[13556],"msr-locale":[268881],"msr-post-option":[269148,269142],"class_list":["post-1094748","msr-blog-post","type-msr-blog-post","status-publish","has-post-thumbnail","hentry","msr-research-area-artificial-intelligence","msr-locale-zh_cn","msr-post-option-approved-for-river","msr-post-option-include-in-river"],"msr_assoc_parent":{"id":1012650,"type":"lab"},"_links":{"self":[{"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-blog-post\/1094748","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-blog-post"}],"about":[{"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/types\/msr-blog-post"}],"author":[{"embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/users\/34512"}],"version-history":[{"count":3,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-blog-post\/1094748\/revisions"}],"predecessor-version":[{"id":1094781,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-blog-post\/1094748\/revisions\/1094781"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/media\/1094775"}],"wp:attachment":[{"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/media?parent=1094748"}],"wp:term":[{"taxonomy":"msr-research-area","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/research-area?post=1094748"},{"taxonomy":"msr-locale","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-locale?post=1094748"},{"taxonomy":"msr-post-option","embeddable":true,"href":"https:\/\/www.microsoft.com\/en-us\/research\/wp-json\/wp\/v2\/msr-post-option?post=1094748"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}