{"id":1092618,"date":"2024-10-11T02:16:35","date_gmt":"2024-10-11T09:16:35","guid":{"rendered":"https:\/\/newed.any0.dpdns.org\/en-us\/research\/?post_type=msr-blog-post&#038;p=1092618"},"modified":"2024-10-11T02:16:38","modified_gmt":"2024-10-11T09:16:38","slug":"how-new-ai-foundation-models-can-speed-up-scientific-discovery","status":"publish","type":"msr-blog-post","link":"https:\/\/newed.any0.dpdns.org\/en-us\/research\/articles\/how-new-ai-foundation-models-can-speed-up-scientific-discovery\/","title":{"rendered":"\u4ece\u9884\u6d4b\u98ce\u66b4\u5230\u8bbe\u8ba1\u5206\u5b50\uff1a\u4eba\u5de5\u667a\u80fd\u57fa\u7840\u6a21\u578b\u5982\u4f55\u52a0\u901f\u79d1\u5b66\u53d1\u73b0"},"content":{"rendered":"\n<p>\u7f16\u8005\u6309\uff1a\u4eba\u5de5\u667a\u80fd\u57fa\u7840\u6a21\u578b\u6b63\u5728\u52a0\u901f\u79d1\u5b66\u53d1\u73b0\u7684\u8fdb\u7a0b\uff0c\u5c24\u5176\uff0c\u7ecf\u8fc7\u591a\u9886\u57df\u6570\u636e\u8bad\u7ec3\u7684\u57fa\u7840\u6a21\u578b\uff0c\u66f4\u80fd\u5728\u8de8\u9886\u57df\u7684\u4efb\u52a1\u4e2d\u5c55\u73b0\u51fa\u8272\u7684\u6027\u80fd\u3002\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u5df2\u5229\u7528\u57fa\u7840\u6a21\u578b\u6253\u9020\u4e86\u4e00\u7cfb\u5217\u5f3a\u5927\u7684\u79d1\u5b66\u53d1\u73b0\u6a21\u578b\uff0c\u5305\u62ec\uff1a\u9769\u65b0\u5929\u6c14\u4e0e\u6c61\u67d3\u9884\u6d4b\u7684 Aurora \u6a21\u578b\u3001\u4e13\u6ce8\u4e8e\u65b0\u6750\u6599\u53d1\u73b0\u4e0e\u8bbe\u8ba1\u7684 MatterGen\u3001\u53ef\u9884\u6d4b\u65b0\u6750\u6599\u884c\u4e3a\u548c\u5c5e\u6027\u7684 MatterSim\uff0c\u4ee5\u53ca\u53ef\u81ea\u52a8\u8bbe\u8ba1\u5019\u9009\u836f\u7269\u7684 TamGen \u6a21\u578b\u7b49\u3002\u57fa\u7840\u6a21\u578b\u7684\u5e94\u7528\u4e0d\u4ec5\u63d0\u9ad8\u4e86\u79d1\u5b66\u53d1\u73b0\u7684\u6548\u7387\uff0c\u964d\u4f4e\u4e86\u6210\u672c\uff0c\u8fd8\u6781\u5927\u5730\u4fc3\u8fdb\u4e86\u79d1\u5b66\u7814\u7a76\u7684\u666e\u53ca\uff0c\u8ba9\u5176\u89e6\u624b\u53ef\u53ca\u3002<\/p>\n\n\n\n<p>\u672c\u6587\u7ffb\u8bd1\u81ea\u5fae\u8f6f\u535a\u5ba2\uff1aFrom forecasting storms to designing molecules: How new AI foundation models can speed up scientific discovery<\/p>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity\"\/>\n\n\n\n<p>\u4eba\u7c7b\u4e00\u76f4\u5728\u5bfb\u627e\u80fd\u591f\u89e3\u91ca\u5b87\u5b99\u73b0\u8c61\u5e76\u9884\u6d4b\u672a\u6765\u7684\u6a21\u5f0f\uff08pattern\uff09\u3002\u201c\u665a\u971e\u884c\u5343\u91cc\uff0c\u671d\u971e\u4e0d\u51fa\u95e8\u3002\u201d\u5c31\u662f\u4e00\u53e5\u7528\u4e8e\u9884\u6d4b\u5929\u6c14\u7684\u8c1a\u8bed\u3002<\/p>\n\n\n\n<p>\u4eba\u5de5\u667a\u80fd\u7684\u4e00\u4e2a\u5f3a\u5927\u80fd\u529b\u5c31\u662f\u53d1\u73b0\u6570\u636e\u4e2d\u7684\u89c4\u5f8b\u4e0e\u6a21\u5f0f\uff0c\u5e76\u505a\u51fa\u9884\u6d4b\u3002\u73b0\u5728\uff0c\u5fae\u8f6f\u7684\u7814\u7a76\u5458\u4eec\u6b63\u5728\u52aa\u529b\u5c06\u5229\u7528\u4e86\u524d\u6cbf\u4eba\u5de5\u667a\u80fd\u6280\u672f\u7684\u201c\u57fa\u7840\u6a21\u578b\u201d\u5e94\u7528\u4e8e\u79d1\u5b66\u53d1\u73b0\u3002\u4e0e\u90a3\u4e9b\u4e13\u95e8\u9488\u5bf9\u7279\u5b9a\u4efb\u52a1\u8bbe\u8ba1\u7684\u6a21\u578b\u4e0d\u540c\uff0c\u57fa\u7840\u6a21\u578b\u7ecf\u8fc7\u4e86\u591a\u9886\u57df\u6570\u636e\u7684\u8bad\u7ec3\uff0c\u80fd\u591f\u5728\u4f17\u591a\u4efb\u52a1\u4e2d\u5c55\u73b0\u51fa\u5353\u8d8a\u7684\u6027\u80fd\u3002\u76f8\u6bd4\u4f20\u7edf\u65b9\u6cd5\uff0c\u5b83\u4eec\u4e0d\u4ec5\u80fd\u591f\u5927\u5e45\u63d0\u5347\u751f\u6210\u7b54\u6848\u7684\u6548\u7387\uff0c\u8fd8\u80fd\u5e2e\u52a9\u89e3\u51b3\u66f4\u590d\u6742\u7684\u79d1\u5b66\u95ee\u9898\u3002<\/p>\n\n\n\n<p>\u6b63\u56e0\u4e3a\u6b64\uff0c\u4eba\u5de5\u667a\u80fd\u5728\u6750\u6599\u79d1\u5b66\u3001\u6c14\u5019\u79d1\u5b66\u4ee5\u53ca\u533b\u7597\u5065\u5eb7\u548c\u751f\u547d\u79d1\u5b66\u7b49\u9886\u57df\u5177\u6709\u5e7f\u9614\u7684\u5e94\u7528\u524d\u666f\u3002\u4e13\u5bb6\u8868\u793a\uff0c\u9488\u5bf9\u8fd9\u4e9b\u9886\u57df\u5b9a\u5236\u7684\u57fa\u7840\u6a21\u578b\u5c06\u6781\u5927\u52a0\u901f\u79d1\u5b66\u53d1\u73b0\u7684\u8fdb\u7a0b\uff0c\u4fc3\u8fdb\u9886\u57df\u79d1\u5b66\u5bb6\u66f4\u5feb\u5730\u5b9e\u73b0\u521b\u65b0\u6210\u679c\uff0c\u4f8b\u5982\u836f\u7269\u7814\u53d1\u3001\u65b0\u6750\u6599\u53d1\u73b0\u548c\u63d0\u9ad8\u5929\u6c14\u9884\u62a5\u7684\u51c6\u786e\u6027\uff0c\u540c\u65f6\u57fa\u7840\u6a21\u578b\u8fd8\u80fd\u52a0\u6df1\u4eba\u4eec\u5bf9\u539f\u5b50\u3001\u4eba\u4f53\u6216\u8005\u5730\u7403\u7684\u8ba4\u8bc6\u3002\u76ee\u524d\uff0c\u5fae\u8f6f\u7814\u7a76\u9662\u6b63\u5728\u5f00\u53d1\u8fd9\u4e9b\u6a21\u578b\uff0c\u5176\u4e2d<a href=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/articles\/aurora\/\" target=\"_blank\" rel=\"noreferrer noopener\">\u7b2c\u4e00\u4e2a\u5929\u6c14\u9884\u6d4b\u6a21\u578b Aurora \u5df2\u7ecf\u53d1\u5e03<\/a>\u3002<\/p>\n\n\n\n<p>\u201c\u4f5c\u4e3a\u5de5\u5177\u7bb1\u4e2d\u7684\u5de5\u5177\u4e4b\u4e00\uff0c\u4eba\u5de5\u667a\u80fd\u80fd\u591f\u4e3a\u4f60\u63d0\u4f9b\u66f4\u667a\u80fd\u7684\u652f\u6301\u3002\u201d\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\uff08AI for Science)\u526f\u603b\u76d1 Bonnie Kruft \u8bf4\uff0c\u201c\u6211\u4eec\u5e0c\u671b\u5f00\u53d1\u4e13\u95e8\u9488\u5bf9\u79d1\u5b66\u9886\u57df\u7684\u6a21\u578b\uff0c\u800c\u4e0d\u662f\u9488\u5bf9\u8bed\u8a00\u7684\u6a21\u578b\u3002\u8fd9\u4e00\u91cd\u5927\u673a\u9047\uff0c\u5c06\u4f1a\u628a\u4f20\u7edf\u57fa\u4e8e\u4eba\u7c7b\u8bed\u8a00\u7684\u5927\u6a21\u578b\u63a8\u5411\u5168\u65b0\u7684\u8303\u5f0f\uff0c\u5229\u7528\u6570\u5b66\u548c\u5206\u5b50\u6a21\u62df\u6253\u9020\u66f4\u5f3a\u5927\u7684\u79d1\u5b66\u53d1\u73b0\u6a21\u578b\u3002\u201d<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"682\" src=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-1-1024x682.jpg\" alt=\"\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u526f\u603b\u76d1 Bonnie Kruft\" class=\"wp-image-1092630\" srcset=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-1-1024x682.jpg 1024w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-1-300x200.jpg 300w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-1-768x512.jpg 768w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-1-1536x1024.jpg 1536w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-1-240x160.jpg 240w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-1.jpg 2000w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u526f\u603b\u76d1 Bonnie Kruft<\/figcaption><\/figure>\n\n\n\n<p><\/p>\n\n\n\n<p>\u8fd1\u5e74\u6765\u4eba\u5de5\u667a\u80fd\u7684\u8fdb\u6b65\u4f7f\u4eba\u4eec\u80fd\u591f\u901a\u8fc7\u7b80\u5355\u7684\u5bf9\u8bdd\u63d0\u793a\u5c31\u53ef\u4ee5\u7b56\u5212\u6d3e\u5bf9\u3001\u751f\u6210\u56fe\u5f62\u6f14\u793a\u6587\u7a3f\uff0c\u6216\u8005\u83b7\u53d6\u9519\u8fc7\u4f1a\u8bae\u7684\u5373\u65f6\u6458\u8981\u3002\u8fd9\u4e9b\u529f\u80fd\u7684\u5b9e\u73b0\u90fd\u5f97\u76ca\u4e8e\u5927\u8bed\u8a00\u6a21\u578b\uff08LLMs\uff09\u3002\u57fa\u4e8e\u6d77\u91cf\u6587\u672c\u6570\u636e\u8fdb\u884c\u8bad\u7ec3\uff0c\u8fd9\u7c7b\u57fa\u7840\u6a21\u578b\u80fd\u591f\u6267\u884c\u591a\u79cd\u4e0e\u8bed\u8a00\u76f8\u5173\u7684\u4efb\u52a1\u3002\u5982\u4eca\uff0c\u5fae\u8f6f\u7684\u7814\u7a76\u5458\u4eec\u6b63\u5728\u63a2\u7d22\u5982\u4f55\u5229\u7528\u7c7b\u4f3c\u7684\u4eba\u5de5\u667a\u80fd\u67b6\u6784\u548c\u65b9\u6cd5\u6765\u63a8\u52a8\u79d1\u5b66\u53d1\u73b0\u7684\u8fdb\u4e00\u6b65\u53d1\u5c55\u3002<\/p>\n\n\n\n<p>\u201c\u5927\u8bed\u8a00\u6a21\u578b\u6709\u4e24\u4e2a\u975e\u5e38\u6709\u7528\u7684\u7279\u6027\u3002\u9996\u5148\uff0c\u5b83\u80fd\u591f\u751f\u6210\u5e76\u7406\u89e3\u4eba\u7c7b\u7684\u8bed\u8a00\uff0c\u8fd9\u4e3a\u590d\u6742\u7684\u6280\u672f\u63d0\u4f9b\u4e86\u4e00\u4e2a\u826f\u597d\u7684\u4eba\u673a\u4ea4\u4e92\u754c\u9762\u3002\u5176\u6b21\uff0c<strong>\u5927\u8bed\u8a00\u6a21\u578b\u53ef\u4ee5\u4f5c\u4e3a\u4e00\u4e2a\u6709\u6548\u7684\u63a8\u7406\u5f15\u64ce\uff0c\u6211\u60f3\u8fd9\u5bf9\u8bb8\u591a\u4eba\u6765\u8bf4\u90fd\u662f\u4e00\u4e2a\u60ca\u559c\uff0c\u56e0\u4e3a\u5b83\u5c06\u53ef\u4ee5\u5728\u79d1\u5b66\u53d1\u73b0\u4e2d\u53d1\u6325\u5de8\u5927\u4f5c\u7528\u3002<\/strong>\u201d<a href=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/articles\/microsoft-research-forum-ep2\/\">\u5fae\u8f6f\u6280\u672f\u9662\u58eb\u3001\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u8d1f\u8d23\u4eba Chris Bishop \u5728\u4eca\u5e74\u7684 Microsoft Research Forum 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class=\"wp-block-heading\" id=\"mattergen-\u63a2\u7d22\u65b0\u6750\u6599\">MatterGen\uff1a\u63a2\u7d22\u65b0\u6750\u6599<\/h2>\n\n\n\n<p>\u53d1\u73b0\u65b0\u6750\u6599\u770b\u4f3c\u662f\u4e00\u4e2a\u7ec6\u5206\u7684\u4e13\u4e1a\u9886\u57df\uff0c\u4f46\u5b9e\u9645\u4e0a\u5b83\u662f\u56ca\u62ec\u4e86\u5e7f\u6cdb\u5b50\u9886\u57df\u7684\u7814\u53d1\u7684\u91cd\u70b9\u4e4b\u4e00\uff0c\u56e0\u4e3a\u6750\u6599\u7684\u79cd\u7c7b\u7e41\u591a\uff0c\u5305\u62ec\u5408\u91d1\u3001\u9676\u74f7\u3001\u805a\u5408\u7269\u3001\u590d\u5408\u6750\u6599\u3001\u534a\u5bfc\u4f53\u7b49\uff0c\u800c\u4e14\u539f\u5b50\u7ec4\u5408\u6210\u65b0\u5206\u5b50\u7684\u53ef\u80fd\u65b9\u5f0f\u6570\u4ee5\u5341\u4ebf\u8ba1\u3002\u65b0\u6750\u6599\u7684\u5f00\u53d1\u5bf9\u4e8e\u51cf\u5c11\u78b3\u6392\u653e\u3001\u5bfb\u627e\u5bf9\u73af\u5883\u6216\u5065\u5eb7\u65e0\u5bb3\u7684\u66ff\u4ee3\u6750\u6599\u81f3\u5173\u91cd\u8981\u3002<\/p>\n\n\n\n<p>\u5fae\u8f6f\u7814\u7a76\u9662\u7684 MatterGen \u57fa\u7840\u6a21\u578b\u201c\u80fd\u591f\u76f4\u63a5\u751f\u6210\u7b26\u5408\u4f60\u8bbe\u8ba1\u6761\u4ef6\u7684\u6750\u6599\u3002\u201d\u5fae\u8f6f\u5251\u6865\u7814\u7a76\u9662\u7684\u9996\u5e2d\u7814\u7a76\u5458\u8c22\u5929\u8868\u793a\u3002\u79d1\u5b66\u5bb6\u4eec\u4e0d\u4ec5\u53ef\u4ee5\u544a\u8bc9 MatterGen \u4ed6\u4eec\u60f3\u8981\u521b\u9020\u7684\u6750\u6599\u7c7b\u578b\uff0c\u8fd8\u80fd\u6307\u5b9a\u6240\u9700\u7684\u673a\u68b0\u3001\u7535\u6c14\u3001\u78c1\u6027\u548c\u5176\u4ed6\u5c5e\u6027\u3002\u201c\u5b83\u7ed9\u6750\u6599\u79d1\u5b66\u5bb6\u4eec\u63d0\u4f9b\u4e86\u4e00\u79cd\u65b9\u6cd5\uff0c\u4e3a\u4ed6\u4eec\u60f3\u8981\u8bbe\u8ba1\u7684\u6750\u6599\u63d0\u51fa\u66f4\u597d\u7684\u5047\u8bbe\u3002\u201d\u8c22\u5929\u8bf4\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"682\" src=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-2-1024x682.jpg\" alt=\"\u5fae\u8f6f\u5251\u6865\u7814\u7a76\u9662\u9996\u5e2d\u7814\u7a76\u5458\u8c22\u5929\" class=\"wp-image-1092633\" srcset=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-2-1024x682.jpg 1024w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-2-300x200.jpg 300w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-2-768x512.jpg 768w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-2-1536x1024.jpg 1536w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-2-240x160.jpg 240w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-2.jpg 2000w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">\u5fae\u8f6f\u5251\u6865\u7814\u7a76\u9662\u9996\u5e2d\u7814\u7a76\u5458\u8c22\u5929<\/figcaption><\/figure>\n\n\n\n<p><\/p>\n\n\n\n<p>\u201c\u76f8\u6bd4\u4ee5\u5f80\u7684\u65b9\u6cd5\uff0c\u8fd9\u53d6\u5f97\u4e86\u91cd\u5927\u8fdb\u6b65\uff0c\u56e0\u4e3a\u4eba\u5de5\u667a\u80fd\u5728\u751f\u6210\u6750\u6599\u65b9\u9762\u7684\u6548\u7387\uff0c\u6bd4\u7b5b\u9009\u6570\u767e\u4e07\u79cd\u6f5c\u5728\u7ec4\u5408\u4ee5\u6ee1\u8db3\u79d1\u5b66\u5bb6\u6807\u51c6\u7684\u65b9\u6cd5\u9ad8\u51fa\u4e09\u5230\u4e94\u4e2a\u6570\u91cf\u7ea7\u3002\u201d\u8c22\u5929\u8bf4\uff0c\u201cMatterGen \u57fa\u4e8e\u79d1\u5b66\u5bb6\u8bbe\u5b9a\u7684\u6807\u51c6\u76f4\u63a5\u6784\u5efa\u89e3\u51b3\u65b9\u6848\uff0c\u800c\u4e0d\u662f\u4ece\u6240\u6709\u53ef\u80fd\u6027\u51fa\u53d1\uff0c\u901a\u8fc7\u53cd\u590d\u7b5b\u9009\u76f4\u5230\u627e\u5230\u5c11\u6570\u7b26\u5408\u79d1\u5b66\u5bb6\u6807\u51c6\u7684\u7ec4\u5408\u3002\u8fd9\u8fdc\u6bd4\u5728\u5b9e\u9a8c\u5ba4\u4e2d\u901a\u8fc7\u53cd\u590d\u8bd5\u9a8c\u6765\u521b\u9020\u65b0\u6750\u6599\u8981\u9ad8\u6548\u548c\u7ecf\u6d4e\uff0c\u5f53\u7136\u5408\u6210\u65b0\u6750\u6599\u5019\u9009\u7269\u6240\u9700\u7684\u5b9e\u9a8c\u5ba4\u5de5\u4f5c\u4ecd\u662f\u5fc5\u4e0d\u53ef\u5c11\u7684\u3002\u201d<\/p>\n\n\n\n<p>MatterGen \u5c5e\u4e8e\u6269\u6563\u6a21\u578b\uff0c\u8fd9\u662f\u4e00\u79cd\u7528\u4e8e\u56fe\u50cf\u521b\u4f5c\u5de5\u5177\u7684\u4eba\u5de5\u667a\u80fd\u67b6\u6784\u3002\u4e0d\u540c\u7684\u662f\uff0cMatterGen \u7528\u4e8e\u751f\u6210\u65b0\u6750\u6599\u3002\u7136\u800c\uff0c\u8981\u8bad\u7ec3\u4e00\u4e2a\u57fa\u7840\u6a21\u578b\uff0c\u4eba\u7c7b\u6570\u5341\u5e74\u751a\u81f3\u51e0\u4e2a\u4e16\u7eaa\u4ee5\u6765\u79ef\u7d2f\u7684\u5b9e\u9a8c\u6570\u636e\u90fd\u8fdc\u8fdc\u4e0d\u591f\uff0c\u4f46\u7531\u4e8e\u7269\u7406\u548c\u5316\u5b66\u7b49\u79d1\u5b66\u9886\u57df\u9075\u5faa\u65e2\u5b9a\u7684\u6570\u5b66\u65b9\u7a0b\uff0c\u6240\u4ee5\u901a\u8fc7\u591a\u6b21\u8ba1\u7b97\u8fd9\u4e9b\u65b9\u7a0b\u5c31\u53ef\u4ee5\u4ea7\u751f\u6240\u9700\u7684\u5927\u91cf\u9ad8\u8d28\u91cf\u8bad\u7ec3\u6570\u636e\u3002\u7814\u7a76\u56e2\u961f\u5229\u7528\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\u8fd9\u4e00\u91cf\u5b50\u529b\u5b66\u65b9\u6cd5\u901a\u8fc7\u9ad8\u6027\u80fd\u8ba1\u7b97\uff0c\u4e3a MatterGen \u751f\u6210\u4e86\u7ea660\u4e07\u4e2a\u7ed3\u6784\u7684\u8bad\u7ec3\u6570\u636e\u3002<\/p>\n\n\n\n<p>\u73b0\u5728\uff0c\u5fae\u8f6f\u7684 MatterGen \u7814\u7a76\u56e2\u961f\u6b63\u4e0e\u5408\u4f5c\u4f19\u4f34\u643a\u624b\u9a8c\u8bc1\u5176\u751f\u6210\u7684\u4e00\u4e9b\u6750\u6599\u3002\u4e0b\u4e00\u6b65\uff0c\u56e2\u961f\u8fd8\u8ba1\u5212\u63a2\u7d22\u805a\u5408\u7269\u7684\u56de\u6536\u5229\u7528\uff0c\u4ee5\u53ca\u5f00\u53d1\u53ef\u7528\u4e8e\u78b3\u6355\u83b7\u7684\u91d1\u5c5e-\u6709\u673a\u6846\u67b6\u3002\u201c\u76ee\u524d\uff0c\u6211\u4eec\u4e3b\u8981\u805a\u7126\u4e8e\u65e0\u673a\u6750\u6599\uff0c\u4f46\u6211\u4eec\u671f\u671b\u672a\u6765\u80fd\u591f\u5c06\u7814\u7a76\u6269\u5c55\u5230\u66f4\u52a0\u590d\u6742\u7684\u6750\u6599\u9886\u57df\u3002\u201d\u8c22\u5929\u8868\u793a\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\" id=\"mattersim-\u9884\u6d4b\u65b0\u6750\u6599\u7684\u884c\u4e3a\">MatterSim\uff1a\u9884\u6d4b\u65b0\u6750\u6599\u7684\u884c\u4e3a<\/h2>\n\n\n\n<p>\u5c3d\u7ba1\u6709\u4eba\u5de5\u667a\u80fd\u7684\u5e2e\u52a9\uff0c\u4f46\u521b\u9020\u65b0\u6750\u6599\u7684\u8fc7\u7a0b\u4f9d\u7136\u5145\u6ee1\u6311\u6218\u3002\u4e0e MatterGen \u5e38\u5e38\u914d\u5957\u4f7f\u7528\u7684\u00a0<a href=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/articles\/mattersim\/\" target=\"_blank\" rel=\"noreferrer noopener\">MatterSim \u80fd\u591f\u6a21\u62df\u5e76\u9884\u6d4b\u65b0\u6750\u6599\u5206\u5b50\u7684\u884c\u4e3a\u5c5e\u6027<\/a>\u3002\u5982\u679c\u6a21\u62df\u7ed3\u679c\u672a\u80fd\u8fbe\u5230\u79d1\u5b66\u5bb6\u7684\u9884\u671f\uff0c\u90a3\u4e48\u4ed6\u4eec\u53ef\u4ee5\u901a\u8fc7 MatterGen \u8fdb\u884c\u8fed\u4ee3\u8c03\u6574\uff0c\u5c31\u50cf\u5fae\u8c03 Microsoft Copilot \u63d0\u793a\u8bcd\u4e00\u6837\u4e0d\u65ad\u4f18\u5316\u8f93\u5165\uff0c\u76f4\u81f3\u6ee1\u8db3\u79d1\u5b66\u5bb6\u7684\u9700\u6c42\u3002\u7136\u800c\uff0c\u4e0e MatterGen \u4e0d\u540c\u7684\u662f\uff0cMatterSim \u5e76\u4e0d\u662f\u751f\u6210\u5f0f\u4eba\u5de5\u667a\u80fd\u800c\u662f\u4e00\u4e2a\u4eff\u771f\u5668\uff0c\u5b83\u80fd\u591f\u786e\u5b9a\u5206\u5b50\u5728\u4e0d\u540c\u6e29\u5ea6\u548c\u538b\u529b\u6761\u4ef6\u4e0b\u7684\u5c5e\u6027\u548c\u884c\u4e3a\u3002<\/p>\n\n\n\n<p>MatterSim \u91c7\u7528\u4e86\u00a0Graphormer \u67b6\u6784\uff0c\u8be5\u67b6\u6784\u57fa\u4e8e Transformers \u7406\u5ff5\uff0c\u7c7b\u4f3c\u4e8e\u5927\u8bed\u8a00\u6a21\u578b\u901a\u8fc7\u62c6\u5206\u5355\u8bcd\u6216\u53e5\u5b50\u6765\u5b66\u4e60\u9884\u6d4b\u53e5\u5b50\u4e2d\u7684\u4e0b\u4e00\u4e2a\u5355\u8bcd\uff0c\u53ea\u4e0d\u8fc7 MatterSim \u662f\u5fae\u8f6f\u7814\u7a76\u9662\u4e13\u4e3a\u6750\u6599\u884c\u4e3a\u548c\u5c5e\u6027\u9884\u6d4b\u800c\u5f00\u53d1\u7684\u6a21\u578b\u3002\u201cMatterSim \u662f\u57fa\u4e8e\u539f\u5b50\u8bed\u8a00\u8bad\u7ec3\u800c\u6210\u7684\u3002\u201d\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u9996\u5e2d\u7814\u7a76\u5458\u9646\u5b50\u6052\u8bf4\uff0c\u201c\u9884\u6d4b\u6750\u6599\u7684\u884c\u4e3a\u5bf9\u5316\u5b66\u5bb6\u81f3\u5173\u91cd\u8981\u3002\u66f4\u91cd\u8981\u7684\u662f\uff0c\u6a21\u578b\u4ece\u6574\u4e2a\u5143\u7d20\u5468\u671f\u8868\u4e2d\u5b66\u4e60\uff0c\u638c\u63e1\u4e86\u539f\u5b50\u7684\u8bed\u8a00\u3002\u5206\u5b50\u5728\u5d4c\u5165\u7a7a\u95f4\u4e2d\u5448\u73b0\u600e\u6837\u7684\u5f62\u6001\uff1f\u5982\u4f55\u5c06\u5206\u5b50\u7684\u7ed3\u6784\u8f6c\u6362\u4e3a\u673a\u5668\u53ef\u7406\u89e3\u7684\u5411\u91cf\uff1f\u8fd9\u662f MatterSim \u9664\u4e86\u9884\u6d4b\u6750\u6599\u5c5e\u6027\u80fd\u529b\u4e4b\u5916\u6700\u91cd\u8981\u7684\u4e8b\u60c5\u3002\u201d<\/p>\n\n\n\n<figure class=\"wp-block-image size-large is-resized\"><img loading=\"lazy\" decoding=\"async\" width=\"683\" height=\"1024\" src=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-3-683x1024.jpg\" alt=\"\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u9996\u5e2d\u7814\u7a76\u5458\u9646\u5b50\u6052\" class=\"wp-image-1092636\" style=\"width:450px\" srcset=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-3-683x1024.jpg 683w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-3-200x300.jpg 200w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-3-768x1152.jpg 768w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-3-1024x1536.jpg 1024w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-3-1365x2048.jpg 1365w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-3-120x180.jpg 120w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-3-scaled.jpg 1707w\" sizes=\"auto, (max-width: 683px) 100vw, 683px\" \/><figcaption class=\"wp-element-caption\">\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u9996\u5e2d\u7814\u7a76\u5458\u9646\u5b50\u6052<\/figcaption><\/figure>\n\n\n\n<p><\/p>\n\n\n\n<p>MatterSim \u8fd8\u91c7\u7528\u4e86\u4e3b\u52a8\u5b66\u4e60\u7684\u65b9\u6cd5\uff0c\u8fd9\u4e0e\u5b66\u751f\u5907\u8003\u7684\u5b66\u4e60\u65b9\u5f0f\u76f8\u4f3c\u3002\u5f53\u6a21\u578b\u63a5\u6536\u5230\u65b0\u6570\u636e\u65f6\uff0c\u5b83\u4f1a\u81ea\u5df1\u5224\u65ad\u5bf9\u6570\u636e\u7684\u638c\u63e1\u7a0b\u5ea6\u3002\u5982\u679c\u638c\u63e1\u7a0b\u5ea6\u8f83\u4f4e\uff0c\u90a3\u4e48\u8fd9\u4e9b\u6570\u636e\u5c31\u4f1a\u8fdb\u5165\u6a21\u62df\u4e2d\u91cd\u65b0\u8bad\u7ec3\u6a21\u578b\uff0c\u5c31\u50cf\u5b66\u751f\u5b66\u4e60\u4ed6\u4eec\u5c1a\u672a\u638c\u63e1\u7684\u77e5\u8bc6\u70b9\u4e00\u6837\uff0c\u800c\u4e0d\u662f\u5b66\u4e60\u90a3\u4e9b\u5df2\u7ecf\u719f\u6089\u7684\u5185\u5bb9\u3002<\/p>\n\n\n\n<p>\u7531\u4e8e\u5173\u4e8e\u5206\u5b50\u884c\u4e3a\u7684\u6570\u636e\u975e\u5e38\u6709\u9650\uff0c\u6240\u4ee5\u7814\u7a76\u56e2\u961f\u91c7\u7528\u4e86\u91cf\u5b50\u529b\u5b66\u7684\u8ba1\u7b97\u65b9\u6cd5\u6765\u751f\u6210\u5408\u6210\u6570\u636e\uff0c\u8fd9\u4e0e MatterGen \u7684\u5904\u7406\u65b9\u5f0f\u76f8\u4f3c\u3002\u5176\u7ed3\u679c\u7684\u51c6\u786e\u6027\u662f\u4e4b\u524d\u6a21\u578b\u7684\u5341\u500d\uff0c\u201c\u56e0\u4e3a\u6211\u4eec\u80fd\u591f\u751f\u6210\u6570\u636e\u6765\u8986\u76d6\u524d\u6240\u672a\u6709\u7684\u6750\u6599\u7a7a\u95f4\uff0c\u8fd9\u4f7f\u5f97\u6a21\u578b\u975e\u5e38\u7cbe\u786e\u3002\u201d\u9646\u5b50\u6052\u8bf4\u3002<\/p>\n\n\n\n<p>\u76ee\u524d\uff0cMatterSim \u4e13\u6ce8\u4e8e\u65e0\u673a\u6750\u6599\uff0c\u4f46\u672a\u6765\u4f1a\u6269\u5c55\u81f3\u5176\u4ed6\u7c7b\u578b\u3002\u201cMatterSim \u662f\u4e00\u4e2a\u7279\u5b9a\u9886\u57df\u7684\u57fa\u7840\u6a21\u578b\u3002\u4eba\u5de5\u667a\u80fd\u79d1\u5b66\u9886\u57df\u7684\u79d1\u7814\u4eba\u5458\u6b63\u5411\u4e00\u4e2a\u7edf\u4e00\u7684\u5927\u578b\u57fa\u7840\u6a21\u578b\u8fc8\u8fdb\uff0c\u8fd9\u4e2a\u6a21\u578b\u80fd\u591f\u7406\u89e3\u6574\u4e2a\u79d1\u5b66\u8bed\u8a00\uff0c\u5305\u62ec\u5206\u5b50\u3001\u751f\u7269\u5206\u5b50\u3001DNA\u3001\u6750\u6599\u3001\u86cb\u767d\u8d28\uff0c\u6240\u6709\u8fd9\u4e9b\u4ee5\u540e\u90fd\u5c06\u7edf\u4e00\uff0c\u4f46\u5c31\u76ee\u524d\u7684 MatterSim \u800c\u8a00\uff0c\u6211\u4eec\u7edf\u4e00\u7684\u662f\u6574\u4e2a\u5143\u7d20\u5468\u671f\u8868\u3002\u201d\u9646\u5b50\u6052\u8bf4\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\" id=\"aurora-\u9769\u65b0\u5927\u6c14\u9884\u6d4b\">Aurora\uff1a\u9769\u65b0\u5927\u6c14\u9884\u6d4b<\/h2>\n\n\n\n<p>\u957f\u671f\u4ee5\u6765\uff0c\u8ba1\u7b97\u673a\u5bf9\u5929\u6c14\u9884\u62a5\u81f3\u5173\u91cd\u8981\uff0c\u5b83\u901a\u8fc7\u89e3\u6790\u7269\u7406\u6216\u6d41\u4f53\u52a8\u529b\u5b66\u65b9\u7a0b\u6765\u6a21\u62df\u5927\u6c14\u7cfb\u7edf\u3002\u201c\u5982\u4eca\uff0c\u4eba\u5de5\u667a\u80fd\u548c\u57fa\u7840\u6a21\u578b\u5e26\u6765\u4e86\u524d\u6240\u672a\u6709\u7684\u65b0\u673a\u9047\u3002\u201d\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u9996\u5e2d\u7814\u7a76\u5458 Paris Perdikaris \u8868\u793a\uff0c\u201c\u6211\u4eec\u5e94\u8be5\u8d70\u51fa\u53bb\uff0c\u5c3d\u53ef\u80fd\u5730\u89c2\u5bdf\u4e16\u754c\u3001\u6536\u96c6\u6570\u636e\uff0c\u7136\u540e\u8bad\u7ec3\u4e00\u4e2a\u4eba\u5de5\u667a\u80fd\u7cfb\u7edf\u6765\u5904\u7406\u8fd9\u4e9b\u6570\u636e\uff0c\u4ece\u4e2d\u63d0\u53d6\u6a21\u5f0f\uff0c\u5e76\u5e2e\u52a9\u4eba\u4eec\u9884\u6d4b\u5929\u6c14\u7b49\u3002\u201d<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"576\" src=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-4-1024x576.gif\" alt=\"\u53f3\u8fb9\u7684\u7403\u4f53\u663e\u793a\u7684\u662f Aurora \u7684\u5929\u6c14\u9884\u62a5\uff0c\u5de6\u8fb9\u7684\u7403\u4f53\u663e\u793a\u7684\u662f\u6d4b\u91cf\u5230\u7684\u5b9e\u9645\u60c5\u51b5\" class=\"wp-image-1092639\" srcset=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-4-1024x576.gif 1024w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-4-300x169.gif 300w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-4-768x432.gif 768w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-4-1066x600.gif 1066w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-4-655x368.gif 655w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-4-240x135.gif 240w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-4-640x360.gif 640w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-4-960x540.gif 960w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\">\u53f3\u8fb9\u7684\u7403\u4f53\u663e\u793a\u7684\u662f Aurora \u7684\u5929\u6c14\u9884\u62a5\uff0c\u5de6\u8fb9\u7684\u7403\u4f53\u663e\u793a\u7684\u662f\u6d4b\u91cf\u5230\u7684\u5b9e\u9645\u60c5\u51b5<\/figcaption><\/figure>\n\n\n\n<p><\/p>\n\n\n\n<p>\u201c\u4eba\u5de5\u667a\u80fd\u7684\u663e\u8457\u4f18\u52bf\u5728\u4e8e\u4e00\u65e6\u8bad\u7ec3\u5b8c\u6210\uff0c\u5b83\u5c31\u65e0\u9700\u4f9d\u8d56\u5e9e\u5927\u7684\u8ba1\u7b97\u8d44\u6e90\u3002\u76ee\u524d\uff0c\u4f7f\u7528\u8d85\u7ea7\u8ba1\u7b97\u673a\u5168\u5929\u5019\u8fd0\u884c\u6765\u751f\u621010\u5929\u7684\u5929\u6c14\u9884\u62a5\u5927\u7ea6\u9700\u8981\u4e24\u4e2a\u5c0f\u65f6\u3002\u201dPerdikaris \u8bf4\uff0c\u201c\u76f8\u6bd4\u4e4b\u4e0b\uff0c<a href=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/articles\/aurora\/\" target=\"_blank\" rel=\"noreferrer noopener\">\u5fae\u8f6f\u7684\u5927\u6c14\u57fa\u7840\u6a21\u578b Aurora \u80fd\u5728\u51e0\u79d2\u949f\u5185\u5b8c\u6210\u540c\u6837\u7684\u4efb\u52a1\uff0c\u5374\u4ec5\u9700\u4e00\u53f0\u914d\u5907 GPU \u7684\u53f0\u5f0f\u7535\u8111<\/a>\u3002\u4eba\u5de5\u667a\u80fd\u65b9\u6cd5\u5e26\u6765\u4e86\u8ba1\u7b97\u6548\u7387\u7684\u63d0\u5347\u548c\u9884\u6d4b\u6210\u672c\u7684\u964d\u4f4e\u3002\u201d<\/p>\n\n\n\n<p>Aurora \u8fd8\u63d0\u9ad8\u4e86\u51c6\u786e\u6027\uff0c\u56e0\u4e3a\u5b83\u4e0d\u4ec5\u4f7f\u7528\u4e86\u57fa\u4e8e\u7269\u7406\u6a21\u578b\u7684\u6570\u636e\uff0c\u8fd8\u878d\u5408\u4e86\u6765\u81ea\u536b\u661f\u3001\u6c14\u8c61\u7ad9\u548c\u5176\u4ed6\u6765\u6e90\u7684\u771f\u5b9e\u4e16\u754c\u6570\u636e\uff0c\u201c\u8fd9\u4e9b\u6570\u636e\u80fd\u66f4\u771f\u5b9e\u5730\u53cd\u6620\u73b0\u5b9e\u60c5\u51b5\u3002\u201d Perdikaris \u8bf4\uff0c\u201c\u7531\u4e8e\u80fd\u591f\u63a5\u89e6\u5230\u66f4\u591a\u6837\u5316\u7684\u4fe1\u606f\u6e90\uff0cAurora \u53ef\u4ee5\u5c06\u5b83\u4eec\u878d\u5408\u8d77\u6765\uff0c\u4ece\u800c\u4ea7\u751f\u6bd4\u73b0\u6709\u7684\u4f20\u7edf\u6a21\u62df\u5de5\u5177\u66f4\u4e3a\u7cbe\u51c6\u7684\u9884\u6d4b\u3002\u201d<\/p>\n\n\n\n<p>Aurora \u662f\u4e00\u4e2a\u5927\u578b\u795e\u7ecf\u7f51\u7edc\uff0c\u4e00\u79cd\u89c6\u89c9 Transformer\uff0c\u5b83\u7ecf\u8fc7\u4e861.2PB\u6570\u636e\u7684\u8bad\u7ec3\u2014\u2014\u8fd9\u5927\u7ea6\u662f\u4e92\u8054\u7f51\u4e0a\u6240\u6709\u6587\u672c\u4fe1\u606f\u603b\u91cf\u7684\u5341\u500d\u3002\u201c\u7136\u800c\uff0c\u4e0e\u63cf\u8ff0\u6574\u4e2a\u5730\u7403\u7cfb\u7edf\u6240\u9700\u7684\u6570\u636e\u91cf\u76f8\u6bd4\uff0c\u8fd9\u53ea\u662f\u51b0\u5c71\u4e00\u89d2\u3002\u201dPerdikaris \u6307\u51fa\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large is-resized\"><img loading=\"lazy\" decoding=\"async\" width=\"683\" height=\"1024\" src=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-5-683x1024.jpg\" alt=\"\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u9996\u5e2d\u7814\u7a76\u5458 Paris Perdikaris\" class=\"wp-image-1092642\" style=\"width:450px\" srcset=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-5-683x1024.jpg 683w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-5-200x300.jpg 200w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-5-768x1152.jpg 768w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-5-1024x1536.jpg 1024w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-5-1365x2048.jpg 1365w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-5-120x180.jpg 120w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/10\/how-new-ai-foundation-models-can-speed-up-scientific-discovery-5-scaled.jpg 1707w\" sizes=\"auto, (max-width: 683px) 100vw, 683px\" \/><figcaption class=\"wp-element-caption\">\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u9996\u5e2d\u7814\u7a76\u5458 Paris Perdikaris<\/figcaption><\/figure>\n\n\n\n<p><\/p>\n\n\n\n<p>\u9488\u5bf9\u4e09\u5927\u5e38\u89c1\u5929\u6c14\u95ee\u9898\uff1a\u672a\u6765\u5341\u5206\u949f\u5185\u8fd9\u91cc\u662f\u5426\u4f1a\u4e0b\u96e8\uff1f\u672a\u676510\u5929\u5185\u5168\u7403\u5929\u6c14\u5c06\u5982\u4f55\u53d8\u5316\uff1f\u672a\u6765\u6570\u6708\u751a\u81f3\u6570\u5e74\u7684\u5929\u6c14\u60c5\u51b5\u662f\u600e\u6837\u7684\uff1f\u8fd9\u5728\u8fc7\u53bb\u901a\u5e38\u9700\u8981\u4f9d\u8d56\u4e0d\u540c\u7684\u9884\u6d4b\u6a21\u578b\u6765\u89e3\u7b54\u3002\u800c Aurora \u53ca\u5176\u672a\u6765\u7684\u6269\u5c55\u6a21\u578b\u5c06\u4f1a\u4f7f\u7528\u540c\u4e00\u4e2a\u6a21\u578b\u6765\u56de\u7b54\u6240\u6709\u8fd9\u4e9b\u95ee\u9898\u3002<\/p>\n\n\n\n<p>Aurora \u6700\u521d\u662f\u57fa\u4e8e\u5929\u6c14\u6570\u636e\u8fdb\u884c\u8bad\u7ec3\u7684\uff0c\u4f46\u901a\u8fc7\u7ed3\u5408\u5927\u6c14\u5316\u5b66\u6570\u636e\u8fdb\u4e00\u6b65\u5fae\u8c03\u540e\uff0c\u8be5\u6a21\u578b\u8fd8\u80fd\u591f\u9884\u6d4b\u6c61\u67d3\u6c34\u5e73\u3002\u201c\u6211\u4eec\u6700\u521d\u7684\u5047\u8bbe\u662f\u5229\u7528\u6a21\u578b\u4ece\u5929\u6c14\u4e2d\u5b66\u5230\u77e5\u8bc6\uff0c\u5e76\u5c1d\u8bd5\u5c06\u5176\u8fc1\u79fb\u5230\u7531\u4e0d\u540c\u7269\u7406\u5b9a\u5f8b\u652f\u914d\u7684\u65b0\u4efb\u52a1\u4e2d\uff0c\u4f8b\u5982\u5927\u6c14\u5316\u5b66\uff0c\u7136\u540e\u89c2\u5bdf\u5176\u6548\u679c\u3002\u201dPerdikaris \u8bf4\uff0c\u201c\u4ee4\u4eba\u60ca\u8bb6\u7684\u662f\uff0c\u8fd9\u79cd\u65b9\u6cd5\u4e0d\u4ec5\u53ef\u884c\uff0c\u800c\u4e14\u521d\u6b65\u7ed3\u679c\u8ba9\u4eba\u76f8\u5f53\u60ca\u559c\u3002\u201d\u4eba\u5de5\u667a\u80fd\u7684\u4f18\u52bf\u5728\u6c61\u67d3\u9884\u6d4b\u4e2d\u66f4\u52a0\u660e\u663e\uff0c\u56e0\u4e3a\u6c61\u67d3\u9884\u6d4b\u7684\u6210\u672c\u662f\u5929\u6c14\u9884\u6d4b\u7684\u5341\u500d\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\" id=\"\u8ba9\u79d1\u5b66\u53d1\u73b0\u89e6\u624b\u53ef\u53ca\">\u8ba9\u79d1\u5b66\u53d1\u73b0\u89e6\u624b\u53ef\u53ca<\/h2>\n\n\n\n<p>\u9646\u5b50\u6052\u6307\u51fa\uff0c\u8fd9\u4e9b\u4eba\u5de5\u667a\u80fd\u57fa\u7840\u6a21\u578b\u80fd\u591f\u6781\u5927\u5730\u6fc0\u53d1\u5b66\u751f\u5bf9\u79d1\u5b66\u7684\u5174\u8da3\u3002\u5728\u4ed6\u6c42\u5b66\u65f6\uff0c\u4ed6\u9700\u8981\u5728\u767d\u677f\u4e0a\u5199\u51fa\u65b9\u7a0b\u6765\u7406\u89e3\u62bd\u8c61\u7684\u79d1\u5b66\u6982\u5ff5\uff0c\u201c\u4f46\u73b0\u5728\u6709\u4e86\u8fd9\u4e9b\u6a21\u62df\u5de5\u5177\uff0c\u6211\u4eec\u7528\u7535\u8111\u5c31\u53ef\u4ee5\u8fdb\u884c\u7edf\u8ba1\u5206\u6790\u3002\u4f60\u53ef\u4ee5\u76f4\u63a5\u5728\u5c4f\u5e55\u4e0a\u5b9e\u65f6\u89c2\u5bdf\u5206\u5b50\u548c\u6750\u6599\u7684\u53cd\u5e94\u4e0e\u884c\u4e3a\uff0c\u5bf9\u5b9e\u9645\u53d1\u751f\u7684\u73b0\u8c61\u6709\u4e00\u4e2a\u76f4\u89c2\u7684\u611f\u53d7\uff0c\u800c\u4e0d\u4ec5\u4ec5\u662f\u770b\u7740\u7eb8\u4e0a\u7684\u65b9\u7a0b\u3002\u201d<\/p>\n\n\n\n<p>\u5fae\u8f6f\u7684\u79d1\u5b66\u57fa\u7840\u6a21\u578b\u5168\u90e8\u662f\u5728\u5fae\u8f6f Azure \u4e91\u5e73\u53f0\u4e0a\u4ece\u96f6\u5f00\u59cb\u6784\u5efa\u7684\u3002\u5fae\u8f6f\u8ba1\u5212\u63d0\u4f9b\u8fd9\u4e9b\u6a21\u578b\u7684\u65e9\u671f\u7248\u672c\uff0c\u4ee5\u63a8\u52a8\u79d1\u5b66\u53d1\u73b0\u7684\u666e\u53ca\uff0c\u5e76\u4ece\u793e\u533a\u6536\u96c6\u53cd\u9988\u3002\u201c\u8fd9\u4e9b\u53cd\u9988\u5c06\u7528\u4e8e\u8bc6\u522b\u5b9e\u9645\u5e94\u7528\u573a\u666f\uff0c\u4ee5\u8fdb\u4e00\u6b65\u6307\u5bfc\u548c\u5b8c\u5584\u6a21\u578b\u7684\u672a\u6765\u7248\u672c\u3002\u201dKruft \u8bf4\u3002<\/p>\n\n\n\n<p>\u57fa\u7840\u6a21\u578b\u6709\u671b\u5f7b\u5e95\u6539\u53d8\u4eba\u4eec\u7684\u65e5\u5e38\u751f\u6d3b\u5e76\u7ed9\u884c\u4e1a\u5e26\u6765\u53d8\u9769\u3002\u901a\u8fc7\u52a0\u5feb\u79d1\u5b66\u53d1\u73b0\u7684\u6b65\u4f10\uff0c\u57fa\u7840\u6a21\u578b\u4e0d\u4ec5\u6709\u6f5c\u529b\u63a8\u52a8\u533b\u5b66\u548c\u6750\u6599\u7b49\u9886\u57df\u7684\u5feb\u901f\u53d1\u5c55\uff0c\u800c\u4e14\u8fd8\u63d0\u4f9b\u4e86\u5bf9\u539f\u5b50\u3001\u5206\u5b50\u548c\u86cb\u767d\u8d28\u7b49\u590d\u6742\u7cfb\u7edf\u7684\u66f4\u6df1\u5165\u6d1e\u5bdf\uff0cKruft \u8bf4\uff0c\u8fd9\u4e9b\u6df1\u523b\u7684\u6d1e\u5bdf\u5c06\u4e3a\u4f17\u591a\u884c\u4e1a\u5f00\u8f9f\u5e7f\u9614\u7684\u5546\u4e1a\u673a\u9047\u3002<\/p>\n\n\n\n<p>\u76f8\u5173\u94fe\u63a5\uff1a<\/p>\n\n\n\n<p>Aurora\uff1a<br><a class=\"msr-external-link glyph-append glyph-append-open-in-new-tab glyph-append-xsmall\" rel=\"noopener noreferrer\" target=\"_blank\" href=\"https:\/\/microsoft.github.io\/aurora\/intro.html\">https:\/\/microsoft.github.io\/aurora\/intro.html<span class=\"sr-only\"> (opens in new tab)<\/span><\/a><\/p>\n\n\n\n<p>MatterGen\uff1a<br><a href=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/blog\/mattergen-property-guided-materials-design\/\">https:\/\/newed.any0.dpdns.org\/en-us\/research\/blog\/mattergen-property-guided-materials-design\/<\/a><\/p>\n\n\n\n<p>MatterSim\uff1a<br><a href=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/blog\/mattersim-a-deep-learning-model-for-materials-under-real-world-conditions\/\">https:\/\/newed.any0.dpdns.org\/en-us\/research\/blog\/mattersim-a-deep-learning-model-for-materials-under-real-world-conditions\/<\/a><\/p>\n\n\n\n<p>TamGen\uff1a<br><a href=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/publication\/target-aware-molecule-generation-for-drug-design-using-a-chemical-language-model\/\">https:\/\/newed.any0.dpdns.org\/en-us\/research\/publication\/target-aware-molecule-generation-for-drug-design-using-a-chemical-language-model\/<\/a><\/p>\n\n\n\n<p>Graphormer\uff1a<br><a href=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/project\/graphormer\/\">https:\/\/newed.any0.dpdns.org\/en-us\/research\/project\/graphormer\/<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u7f16\u8005\u6309\uff1a\u4eba\u5de5\u667a\u80fd\u57fa\u7840\u6a21\u578b\u6b63\u5728\u52a0\u901f\u79d1\u5b66\u53d1\u73b0\u7684\u8fdb\u7a0b\uff0c\u5c24\u5176\uff0c\u7ecf\u8fc7\u591a\u9886\u57df\u6570\u636e\u8bad\u7ec3\u7684\u57fa\u7840\u6a21\u578b\uff0c\u66f4\u80fd\u5728\u8de8\u9886\u57df\u7684\u4efb\u52a1\u4e2d\u5c55\u73b0\u51fa\u8272\u7684\u6027\u80fd\u3002\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u5df2\u5229\u7528\u57fa\u7840\u6a21\u578b\u6253\u9020\u4e86\u4e00\u7cfb\u5217\u5f3a\u5927\u7684\u79d1\u5b66\u53d1\u73b0\u6a21\u578b\uff0c\u5305\u62ec\uff1a\u9769\u65b0\u5929\u6c14\u4e0e\u6c61\u67d3\u9884\u6d4b\u7684 Aurora \u6a21\u578b\u3001\u4e13\u6ce8\u4e8e\u65b0\u6750\u6599\u53d1\u73b0\u4e0e\u8bbe\u8ba1\u7684 MatterGen\u3001\u53ef\u9884\u6d4b\u65b0\u6750\u6599\u884c\u4e3a\u548c\u5c5e\u6027\u7684 MatterSim\uff0c\u4ee5\u53ca\u53ef\u81ea\u52a8\u8bbe\u8ba1\u5019\u9009\u836f\u7269\u7684 TamGen \u6a21\u578b\u7b49\u3002\u57fa\u7840\u6a21\u578b\u7684\u5e94\u7528\u4e0d\u4ec5\u63d0\u9ad8\u4e86\u79d1\u5b66\u53d1\u73b0\u7684\u6548\u7387\uff0c\u964d\u4f4e\u4e86\u6210\u672c\uff0c\u8fd8\u6781\u5927\u5730\u4fc3\u8fdb\u4e86\u79d1\u5b66\u7814\u7a76\u7684\u666e\u53ca\uff0c\u8ba9\u5176\u89e6\u624b\u53ef\u53ca\u3002 \u672c\u6587\u7ffb\u8bd1\u81ea\u5fae\u8f6f\u535a\u5ba2\uff1aFrom forecasting storms to designing molecules: How new AI foundation models can speed up scientific discovery \u4eba\u7c7b\u4e00\u76f4\u5728\u5bfb\u627e\u80fd\u591f\u89e3\u91ca\u5b87\u5b99\u73b0\u8c61\u5e76\u9884\u6d4b\u672a\u6765\u7684\u6a21\u5f0f\uff08pattern\uff09\u3002\u201c\u665a\u971e\u884c\u5343\u91cc\uff0c\u671d\u971e\u4e0d\u51fa\u95e8\u3002\u201d\u5c31\u662f\u4e00\u53e5\u7528\u4e8e\u9884\u6d4b\u5929\u6c14\u7684\u8c1a\u8bed\u3002 \u4eba\u5de5\u667a\u80fd\u7684\u4e00\u4e2a\u5f3a\u5927\u80fd\u529b\u5c31\u662f\u53d1\u73b0\u6570\u636e\u4e2d\u7684\u89c4\u5f8b\u4e0e\u6a21\u5f0f\uff0c\u5e76\u505a\u51fa\u9884\u6d4b\u3002\u73b0\u5728\uff0c\u5fae\u8f6f\u7684\u7814\u7a76\u5458\u4eec\u6b63\u5728\u52aa\u529b\u5c06\u5229\u7528\u4e86\u524d\u6cbf\u4eba\u5de5\u667a\u80fd\u6280\u672f\u7684\u201c\u57fa\u7840\u6a21\u578b\u201d\u5e94\u7528\u4e8e\u79d1\u5b66\u53d1\u73b0\u3002\u4e0e\u90a3\u4e9b\u4e13\u95e8\u9488\u5bf9\u7279\u5b9a\u4efb\u52a1\u8bbe\u8ba1\u7684\u6a21\u578b\u4e0d\u540c\uff0c\u57fa\u7840\u6a21\u578b\u7ecf\u8fc7\u4e86\u591a\u9886\u57df\u6570\u636e\u7684\u8bad\u7ec3\uff0c\u80fd\u591f\u5728\u4f17\u591a\u4efb\u52a1\u4e2d\u5c55\u73b0\u51fa\u5353\u8d8a\u7684\u6027\u80fd\u3002\u76f8\u6bd4\u4f20\u7edf\u65b9\u6cd5\uff0c\u5b83\u4eec\u4e0d\u4ec5\u80fd\u591f\u5927\u5e45\u63d0\u5347\u751f\u6210\u7b54\u6848\u7684\u6548\u7387\uff0c\u8fd8\u80fd\u5e2e\u52a9\u89e3\u51b3\u66f4\u590d\u6742\u7684\u79d1\u5b66\u95ee\u9898\u3002 \u6b63\u56e0\u4e3a\u6b64\uff0c\u4eba\u5de5\u667a\u80fd\u5728\u6750\u6599\u79d1\u5b66\u3001\u6c14\u5019\u79d1\u5b66\u4ee5\u53ca\u533b\u7597\u5065\u5eb7\u548c\u751f\u547d\u79d1\u5b66\u7b49\u9886\u57df\u5177\u6709\u5e7f\u9614\u7684\u5e94\u7528\u524d\u666f\u3002\u4e13\u5bb6\u8868\u793a\uff0c\u9488\u5bf9\u8fd9\u4e9b\u9886\u57df\u5b9a\u5236\u7684\u57fa\u7840\u6a21\u578b\u5c06\u6781\u5927\u52a0\u901f\u79d1\u5b66\u53d1\u73b0\u7684\u8fdb\u7a0b\uff0c\u4fc3\u8fdb\u9886\u57df\u79d1\u5b66\u5bb6\u66f4\u5feb\u5730\u5b9e\u73b0\u521b\u65b0\u6210\u679c\uff0c\u4f8b\u5982\u836f\u7269\u7814\u53d1\u3001\u65b0\u6750\u6599\u53d1\u73b0\u548c\u63d0\u9ad8\u5929\u6c14\u9884\u62a5\u7684\u51c6\u786e\u6027\uff0c\u540c\u65f6\u57fa\u7840\u6a21\u578b\u8fd8\u80fd\u52a0\u6df1\u4eba\u4eec\u5bf9\u539f\u5b50\u3001\u4eba\u4f53\u6216\u8005\u5730\u7403\u7684\u8ba4\u8bc6\u3002\u76ee\u524d\uff0c\u5fae\u8f6f\u7814\u7a76\u9662\u6b63\u5728\u5f00\u53d1\u8fd9\u4e9b\u6a21\u578b\uff0c\u5176\u4e2d\u7b2c\u4e00\u4e2a\u5929\u6c14\u9884\u6d4b\u6a21\u578b Aurora \u5df2\u7ecf\u53d1\u5e03\u3002 \u201c\u4f5c\u4e3a\u5de5\u5177\u7bb1\u4e2d\u7684\u5de5\u5177\u4e4b\u4e00\uff0c\u4eba\u5de5\u667a\u80fd\u80fd\u591f\u4e3a\u4f60\u63d0\u4f9b\u66f4\u667a\u80fd\u7684\u652f\u6301\u3002\u201d\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\uff08AI for Science)\u526f\u603b\u76d1 Bonnie Kruft \u8bf4\uff0c\u201c\u6211\u4eec\u5e0c\u671b\u5f00\u53d1\u4e13\u95e8\u9488\u5bf9\u79d1\u5b66\u9886\u57df\u7684\u6a21\u578b\uff0c\u800c\u4e0d\u662f\u9488\u5bf9\u8bed\u8a00\u7684\u6a21\u578b\u3002\u8fd9\u4e00\u91cd\u5927\u673a\u9047\uff0c\u5c06\u4f1a\u628a\u4f20\u7edf\u57fa\u4e8e\u4eba\u7c7b\u8bed\u8a00\u7684\u5927\u6a21\u578b\u63a8\u5411\u5168\u65b0\u7684\u8303\u5f0f\uff0c\u5229\u7528\u6570\u5b66\u548c\u5206\u5b50\u6a21\u62df\u6253\u9020\u66f4\u5f3a\u5927\u7684\u79d1\u5b66\u53d1\u73b0\u6a21\u578b\u3002\u201d \u8fd1\u5e74\u6765\u4eba\u5de5\u667a\u80fd\u7684\u8fdb\u6b65\u4f7f\u4eba\u4eec\u80fd\u591f\u901a\u8fc7\u7b80\u5355\u7684\u5bf9\u8bdd\u63d0\u793a\u5c31\u53ef\u4ee5\u7b56\u5212\u6d3e\u5bf9\u3001\u751f\u6210\u56fe\u5f62\u6f14\u793a\u6587\u7a3f\uff0c\u6216\u8005\u83b7\u53d6\u9519\u8fc7\u4f1a\u8bae\u7684\u5373\u65f6\u6458\u8981\u3002\u8fd9\u4e9b\u529f\u80fd\u7684\u5b9e\u73b0\u90fd\u5f97\u76ca\u4e8e\u5927\u8bed\u8a00\u6a21\u578b\uff08LLMs\uff09\u3002\u57fa\u4e8e\u6d77\u91cf\u6587\u672c\u6570\u636e\u8fdb\u884c\u8bad\u7ec3\uff0c\u8fd9\u7c7b\u57fa\u7840\u6a21\u578b\u80fd\u591f\u6267\u884c\u591a\u79cd\u4e0e\u8bed\u8a00\u76f8\u5173\u7684\u4efb\u52a1\u3002\u5982\u4eca\uff0c\u5fae\u8f6f\u7684\u7814\u7a76\u5458\u4eec\u6b63\u5728\u63a2\u7d22\u5982\u4f55\u5229\u7528\u7c7b\u4f3c\u7684\u4eba\u5de5\u667a\u80fd\u67b6\u6784\u548c\u65b9\u6cd5\u6765\u63a8\u52a8\u79d1\u5b66\u53d1\u73b0\u7684\u8fdb\u4e00\u6b65\u53d1\u5c55\u3002 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