{"id":1069806,"date":"2022-07-07T22:33:00","date_gmt":"2022-07-08T05:33:00","guid":{"rendered":"https:\/\/newed.any0.dpdns.org\/en-us\/research\/?post_type=msr-blog-post&#038;p=1069806"},"modified":"2024-09-25T01:37:48","modified_gmt":"2024-09-25T08:37:48","slug":"ai4science","status":"publish","type":"msr-blog-post","link":"https:\/\/newed.any0.dpdns.org\/en-us\/research\/articles\/ai4science\/","title":{"rendered":"\u79d1\u5b66\u667a\u80fd\uff08AI4Science\uff09\u8d4b\u80fd\u79d1\u5b66\u53d1\u73b0\u7684\u7b2c\u4e94\u8303\u5f0f"},"content":{"rendered":"\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"576\" src=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-1.jpg\" alt=\"Chris Bishop\uff0c\u5fae\u8f6f\u6280\u672f\u9662\u58eb\u3001\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u8d1f\u8d23\u4eba\" class=\"wp-image-1070697\" srcset=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-1.jpg 1024w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-1-300x169.jpg 300w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-1-768x432.jpg 768w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-1-655x368.jpg 655w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-1-240x135.jpg 240w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-1-640x360.jpg 640w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-1-960x540.jpg 960w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\"><em>Chris Bishop\uff0c\u5fae\u8f6f\u6280\u672f\u9662\u58eb\u3001\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u8d1f\u8d23\u4eba<\/em><\/figcaption><\/figure>\n\n\n\n<p><\/p>\n\n\n\n<p>\u672a\u6765\u5341\u5e74\uff0c\u6df1\u5ea6\u5b66\u4e60\u6ce8\u5b9a\u5c06\u4f1a\u7ed9\u81ea\u7136\u79d1\u5b66\u5e26\u6765\u53d8\u9769\u6027\u7684\u5f71\u54cd\u3002\u5176\u7ed3\u679c\u5177\u6709\u6f5c\u5728\u7684\u6df1\u8fdc\u610f\u4e49\uff0c\u53ef\u80fd\u4f1a\u6781\u5927\u5730\u63d0\u9ad8\u6211\u4eec\u5728\u5dee\u5f02\u5de8\u5927\u7684\u7a7a\u95f4\u548c\u65f6\u95f4\u5c3a\u5ea6\u4e0a\u5bf9\u81ea\u7136\u73b0\u8c61\u8fdb\u884c\u5efa\u6a21\u548c\u9884\u6d4b\u7684\u80fd\u529b\u3002\u8fd9\u79cd\u80fd\u529b\u662f\u5426\u4ee3\u8868\u7740\u79d1\u5b66\u53d1\u73b0\u65b0\u8303\u5f0f\u7684\u66d9\u5149\uff1f<\/p>\n\n\n\n<p>\u56fe\u7075\u5956\u83b7\u5f97\u8005\u3001\u524d\u5fae\u8f6f\u6280\u672f\u9662\u58eb Jim Gray \u7528\u201c<a href=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2009\/10\/Fourth_Paradigm.pdf\">\u56db\u79cd\u8303\u5f0f<\/a>\u201d\u63cf\u8ff0\u4e86\u79d1\u5b66\u53d1\u73b0\u7684\u5386\u53f2\u6f14\u53d8\u3002\u7b2c\u4e00\u8303\u5f0f\u7684\u8d77\u6e90\u53ef\u4ee5\u8ffd\u6eaf\u5230\u51e0\u5343\u5e74\u524d\uff0c\u5b83\u7eaf\u7cb9\u662f\u7ecf\u9a8c\u6027\u7684\uff0c\u57fa\u4e8e\u5bf9\u81ea\u7136\u73b0\u8c61\u7684\u76f4\u63a5\u89c2\u5bdf\u3002\u867d\u7136\u5728\u8fd9\u4e9b\u89c2\u5bdf\u4e2d\uff0c\u6709\u8bb8\u591a\u89c4\u5f8b\u662f\u663e\u800c\u6613\u89c1\u7684\uff0c\u4f46\u6ca1\u6709\u7cfb\u7edf\u6027\u7684\u65b9\u6cd5\u6765\u6355\u83b7\u6216\u8868\u8fbe\u8fd9\u4e9b\u89c4\u5f8b\u3002\u7b2c\u4e8c\u8303\u5f0f\u4ee5\u81ea\u7136\u7406\u8bba\u6a21\u578b\u4e3a\u7279\u5f81\uff0c\u4f8b\u598217\u4e16\u7eaa\u7684\u725b\u987f\u8fd0\u52a8\u5b9a\u5f8b\uff0c\u621619\u4e16\u7eaa\u7684\u9ea6\u514b\u65af\u97e6\u7535\u52a8\u529b\u5b66\u65b9\u7a0b\u3002\u8fd9\u4e9b\u65b9\u7a0b\u7531\u7ecf\u9a8c\u89c2\u5bdf\uff0c\u5f52\u7eb3\u63a8\u5bfc\u5f97\u51fa\uff0c\u53ef\u4ee5\u63a8\u5e7f\u5230\u6bd4\u76f4\u63a5\u89c2\u5bdf\u66f4\u4e3a\u5e7f\u6cdb\u7684\u60c5\u5f62\u3002\u867d\u7136\u8fd9\u4e9b\u65b9\u7a0b\u53ef\u4ee5\u5728\u7b80\u5355\u573a\u666f\u4e0b\u89e3\u6790\u6c42\u89e3\uff0c\u4f46\u76f4\u523020\u4e16\u7eaa\u6709\u4e86\u7535\u5b50\u8ba1\u7b97\u673a\u7684\u53d1\u5c55\uff0c\u5b83\u4eec\u624d\u5f97\u4ee5\u5728\u66f4\u5e7f\u6cdb\u7684\u60c5\u5f62\u4e0b\u6c42\u89e3\uff0c\u4ece\u800c\u4ea7\u751f\u4e86\u57fa\u4e8e\u6570\u503c\u8ba1\u7b97\u7684\u7b2c\u4e09\u8303\u5f0f\u300221\u4e16\u7eaa\u521d\uff0c\u8ba1\u7b97\u518d\u6b21\u6539\u53d8\u4e86\u79d1\u5b66\uff0c\u8fd9\u4e00\u6b21\u5219\u662f\u901a\u8fc7\u6536\u96c6\u3001\u5b58\u50a8\u548c\u5904\u7406\u5927\u91cf\u6570\u636e\u7684\u80fd\u529b\uff0c\u50ac\u751f\u4e86\u6570\u636e\u5bc6\u96c6\u578b\u79d1\u5b66\u53d1\u73b0\u7684\u7b2c\u56db\u8303\u5f0f\u3002\u673a\u5668\u5b66\u4e60\u662f\u7b2c\u56db\u8303\u5f0f\u4e2d\u65e5\u76ca\u91cd\u8981\u7684\u7ec4\u6210\u90e8\u5206\uff0c\u5b83\u80fd\u591f\u5bf9\u5927\u89c4\u6a21\u5b9e\u9a8c\u79d1\u5b66\u6570\u636e\u8fdb\u884c\u5efa\u6a21\u548c\u5206\u6790\u3002\u8fd9\u56db\u79cd\u8303\u5f0f\u662f\u76f8\u8f85\u76f8\u6210\uff0c\u5e76\u5b58\u4e0d\u6096\u7684\u3002<\/p>\n\n\n\n<p>\u91cf\u5b50\u7269\u7406\u5b66\u7684\u5148\u9a71 Paul Dirac\uff08\u4fdd\u7f57\u00b7\u72c4\u62c9\u514b\uff09\u57281929\u5e74\u8bf4\u8fc7\uff1a\u201c\u5927\u90e8\u5206\u7269\u7406\u5b66\u4ee5\u53ca\u6574\u4e2a\u5316\u5b66\u6240\u9700\u7684\u6570\u5b66\u7406\u8bba\u7684\u57fa\u672c\u5b9a\u5f8b\u5df2\u5b8c\u5168\u4e3a\u4eba\u4eec\u6240\u77e5\uff0c\u800c\u56f0\u96be\u5728\u4e8e\u8fd9\u4e9b\u5b9a\u5f8b\u7684\u7cbe\u786e\u5e94\u7528\u4f1a\u5bfc\u81f4\u65b9\u7a0b\u592a\u8fc7\u590d\u6742\u800c\u65e0\u6cd5\u6c42\u89e3\u3002\u201d\u4f8b\u5982\uff0c\u859b\u5b9a\u8c14\u65b9\u7a0b\u5728\u4e9a\u539f\u5b50\u6c34\u5e73\u4e0a\u4ee5\u6781\u9ad8\u7684\u7cbe\u5ea6\u63cf\u8ff0\u4e86\u5206\u5b50\u548c\u7269\u8d28\u7684\u884c\u4e3a\uff0c\u4f46\u9ad8\u7cbe\u5ea6\u7684\u6570\u503c\u89e3\u53ea\u6709\u5728\u7531\u5c11\u91cf\u539f\u5b50\u7ec4\u6210\u7684\u975e\u5e38\u5c0f\u7684\u7cfb\u7edf\u4e2d\u624d\u80fd\u5f97\u5230\u3002\u5982\u679c\u6269\u5c55\u5230\u66f4\u5927\u7684\u7cfb\u7edf\uff0c\u5219\u610f\u5473\u7740\u8d8a\u6765\u8d8a\u6a21\u7cca\u7684\u8fd1\u4f3c\u6027\uff0c\u8fd9\u5bfc\u81f4\u4eba\u4eec\u5fc5\u987b\u5728\u89c4\u6a21\u548c\u51c6\u786e\u6027\u4e4b\u95f4\u4f5c\u51fa\u6743\u8861\u3002\u5373\u4fbf\u5982\u6b64\uff0c\u91cf\u5b50\u5316\u5b66\u8ba1\u7b97\u5df2\u7ecf\u5177\u6709\u5f88\u9ad8\u7684\u5b9e\u7528\u4ef7\u503c\uff0c\u6210\u4e86\u8d85\u7ea7\u8ba1\u7b97\u673a\u7684\u6700\u4e3b\u8981\u5de5\u4f5c\u8d1f\u8377\u4e4b\u4e00\u3002<\/p>\n\n\n\n<p>\u7136\u800c\uff0c\u5728\u8fc7\u53bb\u7684\u4e00\u4e24\u5e74\u91cc\uff0c\u6211\u4eec\u770b\u5230\u4e86\u6df1\u5ea6\u5b66\u4e60\u7684\u4e00\u4e2a\u65b0\u7528\u9014\u2014\u2014\u517c\u987e\u79d1\u5b66\u53d1\u73b0\u7684\u901f\u5ea6\u4e0e\u51c6\u786e\u6027\u7684\u5f3a\u5927\u5de5\u5177\u3002\u8fd9\u79cd\u4f7f\u7528\u673a\u5668\u5b66\u4e60\u7684\u65b0\u65b9\u5f0f\u4e0e\u7b2c\u56db\u8303\u5f0f\u6570\u636e\u5efa\u6a21\u622a\u7136\u4e0d\u540c\uff0c\u56e0\u4e3a\u7528\u4e8e\u8bad\u7ec3\u795e\u7ecf\u7f51\u7edc\u7684\u6570\u636e\u6765\u81ea\u79d1\u5b66\u57fa\u672c\u65b9\u7a0b\u7684\u6570\u503c\u89e3\uff0c\u800c\u975e\u7ecf\u9a8c\u89c2\u5bdf\u3002\u6211\u4eec\u53ef\u4ee5\u5c06\u79d1\u5b66\u65b9\u7a0b\u7684\u6570\u503c\u89e3\u770b\u4f5c\u81ea\u7136\u754c\u7684\u6a21\u62df\u5668\uff0c\u4ee5\u8f83\u9ad8\u7684\u8ba1\u7b97\u6210\u672c\uff0c\u5bf9\u4f17\u591a\u6211\u4eec\u611f\u5174\u8da3\u7684\u5e94\u7528\u8fdb\u884c\u8ba1\u7b97\u2014\u2014\u4f8b\u5982\u9884\u6d4b\u5929\u6c14\u3001\u6a21\u62df\u661f\u7cfb\u78b0\u649e\u3001\u4f18\u5316\u805a\u53d8\u53cd\u5e94\u5806\u8bbe\u8ba1\uff0c\u6216\u8ba1\u7b97\u5019\u9009\u836f\u7269\u5206\u5b50\u4e0e\u76ee\u6807\u86cb\u767d\u7684\u7ed3\u5408\u81ea\u7531\u80fd\u3002\u7136\u800c\uff0c\u4ece\u673a\u5668\u5b66\u4e60\u7684\u89d2\u5ea6\u6765\u770b\uff0c\u6a21\u62df\u8fc7\u7a0b\u7684\u4e2d\u95f4\u7ec6\u8282\u53ef\u4ee5\u88ab\u89c6\u4e3a\u8bad\u7ec3\u6570\u636e\uff0c\u80fd\u591f\u7528\u4e8e\u6df1\u5ea6\u5b66\u4e60\u4eff\u771f\u5668\u7684\u8bad\u7ec3\u3002\u6b64\u7c7b\u6570\u636e\u662f\u5b8c\u5168\u6807\u6ce8\u7684\uff0c\u6570\u636e\u7684\u6570\u91cf\u4ec5\u53d6\u51b3\u4e8e\u8ba1\u7b97\u5f00\u9500\u3002\u4e00\u65e6\u5b8c\u6210\u8bad\u7ec3\uff0c\u4eff\u771f\u5668\u5c31\u53ef\u4ee5\u9ad8\u6548\u6267\u884c\u65b0\u7684\u8ba1\u7b97\uff0c\u5e76\u5927\u5927\u63d0\u5347\u8ba1\u7b97\u901f\u5ea6\uff0c\u6709\u65f6\u751a\u81f3\u80fd\u591f\u8fbe\u5230\u51e0\u4e2a\u6570\u91cf\u7ea7\u3002<\/p>\n\n\n\n<p>\u79d1\u5b66\u53d1\u73b0\u7684\u201c\u7b2c\u4e94\u8303\u5f0f\u201d\u4ee3\u8868\u4e86\u673a\u5668\u5b66\u4e60\u548c\u81ea\u7136\u79d1\u5b66\u9886\u57df\u6700\u6fc0\u52a8\u4eba\u5fc3\u7684\u524d\u6cbf\u65b9\u5411\u4e4b\u4e00\u3002\u867d\u7136\u8fd9\u4e9b\u6a21\u62df\u5668\u8981\u53d8\u5f97\u8db3\u591f\u5feb\u3001\u9c81\u68d2\u3001\u901a\u7528\u5e76\u6210\u4e3a\u4e1a\u754c\u4e3b\u6d41\uff0c\u8fd8\u6709\u5f88\u957f\u7684\u8def\u8981\u8d70\uff0c\u4f46\u5b83\u4eec\u5bf9\u73b0\u5b9e\u4e16\u754c\u7684\u6f5c\u5728\u5f71\u54cd\u662f\u663e\u800c\u6613\u89c1\u7684\u3002\u4f8b\u5982\uff0c\u4ec5\u5c0f\u5206\u5b50\u5019\u9009\u836f\u7269\u7684\u6570\u91cf\u4f30\u8ba1\u5c31\u591a\u8fbe10^60\u79cd\uff0c\u800c\u7a33\u5b9a\u6750\u6599\u7684\u603b\u6570\u5219\u7ea6\u4e3a10^180\u79cd\uff08\u5927\u7ea6\u662f\u5df2\u77e5\u5b87\u5b99\u4e2d\u539f\u5b50\u6570\u91cf\u7684\u5e73\u65b9\uff09\u3002\u627e\u5230\u66f4\u6709\u6548\u7684\u65b9\u6cd5\u6765\u63a2\u7d22\u8fd9\u4e9b\u5e7f\u9614\u7684\u7a7a\u95f4\uff0c\u5c06\u589e\u5f3a\u6211\u4eec\u53d1\u73b0\u65b0\u7269\u8d28\u7684\u80fd\u529b\u2014\u2014\u4f8b\u5982\u66f4\u597d\u7684\u6cbb\u7597\u75be\u75c5\u7684\u836f\u7269\u3001\u66f4\u597d\u7684\u6355\u83b7\u5927\u6c14\u4e8c\u6c27\u5316\u78b3\u7684\u57fa\u8d28\u3001\u66f4\u597d\u7684\u7535\u6c60\u6750\u6599\u3001\u80fd\u591f\u4e3a\u6c22\u7ecf\u6d4e\u63d0\u4f9b\u52a8\u529b\u7684\u65b0\u578b\u71c3\u6599\u7535\u6c60\u7535\u6781\uff0c\u4ee5\u53ca\u65e0\u6570\u7684\u5176\u4ed6\u5e94\u7528\u3002<\/p>\n\n\n\n<p><em>\u201cAI4Science \u662f\u4e00\u6b21\u6df1\u690d\u4e8e\u5fae\u8f6f\u4f7f\u547d\u7684\u5c1d\u8bd5\uff0c\u8fd9\u5c06\u5145\u5206\u5229\u7528\u6211\u4eec\u7684\u4eba\u5de5\u667a\u80fd\u80fd\u529b\u6765\u5f00\u53d1\u65b0\u7684\u79d1\u5b66\u53d1\u73b0\u5de5\u5177\uff0c\u4ece\u800c\u8ba9\u6211\u4eec\u548c\u79d1\u5b66\u754c\u7684\u5176\u4ed6\u540c\u4ec1\u80fd\u591f\u5e94\u5bf9\u4eba\u7c7b\u9762\u4e34\u7684\u6700\u91cd\u8981\u7684\u4e00\u4e9b\u6311\u6218\u3002\u5fae\u8f6f\u7814\u7a76\u9662\u6210\u7acb30\u591a\u5e74\u6765\uff0c\u59cb\u7ec8\u4fdd\u6301\u7740\u597d\u5947\u548c\u63a2\u7d22\u7684\u4f20\u7edf\u3002\u6211\u76f8\u4fe1\uff0c\u8de8\u8d8a\u5730\u7406\u548c\u79d1\u5b66\u9886\u57df\u7684 AI4Science \u56e2\u961f\uff0c\u5c06\u4e3a\u8fd9\u4e00\u4f20\u7edf\u505a\u51fa\u975e\u51e1\u7684\u8d21\u732e\u3002\u201d<\/em><\/p>\n\n\n\n<p><em>\u2014\u2014Kevin Scott\uff0c\u5fae\u8f6f\u6267\u884c\u526f\u603b\u88c1\u517c\u9996\u5e2d\u6280\u672f\u5b98<\/em><\/p>\n\n\n\n<p>\u4eca\u5929\uff0c\u6211\u5f88\u9ad8\u5174\u5730\u5ba3\u5e03\uff0c\u6211\u5c06\u9886\u5bfc\u5fae\u8f6f\u7814\u7a76\u9662\u7684\u4e00\u4e2a\u65b0\u7684\u5168\u7403\u56e2\u961f\uff0c\u5176\u6210\u5458\u6765\u81ea\u82f1\u56fd\u3001\u4e2d\u56fd\u3001\u8377\u5170\u7b49\u591a\u4e2a\u56fd\u5bb6\uff0c\u4e13\u6ce8\u4e8e\u5c06\u7b2c\u4e94\u8303\u5f0f\u53d8\u4e3a\u73b0\u5b9e\u3002\u6211\u4eec\u7684<a href=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/lab\/microsoft-research-ai4science\/\">\u79d1\u5b66\u667a\u80fd\uff08AI4Science\uff09<\/a>\u56e2\u961f\u7531\u673a\u5668\u5b66\u4e60\u3001\u8ba1\u7b97\u7269\u7406\u3001\u8ba1\u7b97\u5316\u5b66\u3001\u5206\u5b50\u751f\u7269\u5b66\u3001\u8f6f\u4ef6\u5de5\u7a0b\u548c\u5176\u4ed6\u5b66\u79d1\u9886\u57df\u7684\u4e16\u754c\u7ea7\u4e13\u5bb6\u7ec4\u6210\uff0c\u4ed6\u4eec\u5171\u540c\u81f4\u529b\u4e8e\u89e3\u51b3\u8be5\u9886\u57df\u4e2d\u4e00\u4e9b\u6700\u7d27\u8feb\u7684\u6311\u6218\u3002<\/p>\n\n\n\n<p>\u4ee5 <a href=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/project\/graphormer\/\">Graphormer<\/a> \u6a21\u578b\u4e3a\u4f8b\uff0c\u5b83\u662f\u7531\u6211\u7684\u540c\u4e8b\uff0c\u6211\u4eec\u4e2d\u56fd\u56e2\u961f\u7684\u8d1f\u8d23\u4eba\u3001\u5fae\u8f6f\u6770\u51fa\u9996\u5e2d\u79d1\u5b66\u5bb6\u5218\u94c1\u5ca9\u535a\u58eb\u9886\u5bfc\u5efa\u7acb\u7684\u3002\u8fd9\u662f\u4e00\u4e2a\u901a\u7528\u7684\u5206\u5b50\u5efa\u6a21\u6a21\u578b\uff0c\u5bf9\u5206\u5b50\u6709\u5f3a\u5927\u7684\u8868\u5f81\u80fd\u529b\uff0c\u5bf9\u65b0\u6750\u6599\u8bbe\u8ba1\u4e0e\u836f\u7269\u53d1\u73b0\u5c06\u6709\u5f88\u5927\u5e2e\u52a9\u3002\u6700\u8fd1\uff0cGraphormer \u5728 Open Catalyst Challenge\uff08\u516c\u5f00\u50ac\u5316\u5242\u6311\u6218\u8d5b\uff09\u4e2d\u593a\u51a0\uff0c\u8fd9\u662f\u4e00\u9879\u65e8\u5728\u901a\u8fc7 AI \u6a21\u62df\u50ac\u5316\u5242-\u5438\u9644\u7269\u53cd\u5e94\u4f53\u7cfb\u7684\u5206\u5b50\u52a8\u529b\u5b66\u7ade\u8d5b\uff0c\u901a\u8fc7\u5bc6\u5ea6\u6cdb\u51fd\u7406\u8bba\uff08DFT\uff09\u8f6f\u4ef6\u6a21\u62df\u4e86\u8d85\u8fc766\u4e07\u4e2a\u50ac\u5316\u5242-\u5438\u9644\u7269\u53cd\u5e94\u7cfb\u7edf\uff081.44\u4ebf\u4e2a\u7ed3\u6784-\u80fd\u91cf\u6846\u67b6\uff09\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"378\" src=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-2-1024x378.png\" alt=\"Graphormer logo\" class=\"wp-image-1070700\" srcset=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-2-1024x378.png 1024w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-2-300x111.png 300w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-2-768x283.png 768w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-2-1536x566.png 1536w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-2-240x88.png 240w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-2.png 2048w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><\/figure>\n\n\n\n<p>\u53e6\u4e00\u4e2a\u9879\u76ee\uff0c\u662f\u5251\u6865\u7684\u56e2\u961f\u4e0e<a class=\"msr-external-link glyph-append glyph-append-open-in-new-tab glyph-append-xsmall\" rel=\"noopener noreferrer\" target=\"_blank\" href=\"https:\/\/news.microsoft.com\/transform\/novartis-empowers-scientists-ai-speed-discovery-development-breakthrough-medicines\/\">\u8bfa\u534e<span class=\"sr-only\"> (opens in new tab)<\/span><\/a>\u5408\u4f5c\u7684<a href=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/project\/generative-chemistry\/\">\u751f\u6210\u5316\u5b66\uff08Generative Chemistry\uff09<\/a>\uff0c\u6211\u4eec\u643a\u624b\u5229\u7528 AI \u4e3a\u79d1\u5b66\u5bb6\u8d4b\u80fd\uff0c\u52a0\u5feb\u7a81\u7834\u6027\u836f\u7269\u7684\u53d1\u73b0\u548c\u7814\u53d1\u3002\u6b63\u5982\u8bfa\u534e\u4eba\u5de5\u667a\u80fd\u521b\u65b0\u5b9e\u9a8c\u5ba4\u5168\u7403\u8d1f\u8d23\u4eba <a class=\"msr-external-link glyph-append glyph-append-open-in-new-tab glyph-append-xsmall\" rel=\"noopener noreferrer\" target=\"_blank\" href=\"https:\/\/www.linkedin.com\/in\/iya-khalil-2898663\/\">Iya Khalil<span class=\"sr-only\"> (opens in new tab)<\/span><\/a> \u6700\u8fd1\u6240\u6307\u51fa\u7684\uff0c\u8fd9\u9879\u5de5\u4f5c\u4e0d\u518d\u662f\u79d1\u5b66\u5e7b\u60f3\uff0c\u800c\u662f\u79d1\u5b66\u73b0\u5b9e\uff1a<\/p>\n\n\n\n<p><em>\u201c\u4eba\u5de5\u667a\u80fd\u4e0d\u4ec5\u53ef\u4ee5\u4ece\u6211\u4eec\u8fc7\u53bb\u7684\u5b9e\u9a8c\u4e2d\u5b66\u4e60\uff0c\u800c\u4e14\u968f\u7740\u5b9e\u9a8c\u5ba4\u4e2d\u8bbe\u8ba1\u548c\u6d4b\u8bd5\u7684\u6bcf\u4e00\u6b21\u65b0\u8fed\u4ee3\uff0c\u673a\u5668\u5b66\u4e60\u7b97\u6cd5\u53ef\u4ee5\u8bc6\u522b\u65b0\u7684\u6a21\u5f0f\uff0c\u5e76\u4e3a\u65e9\u671f\u836f\u7269\u53d1\u73b0\u548c\u5f00\u53d1\u8fc7\u7a0b\u63d0\u4f9b\u6307\u5bfc\u3002\u5e0c\u671b\u901a\u8fc7\u8fd9\u6837\u7684\u65b9\u5f0f\uff0c\u6211\u4eec\u53ef\u4ee5\u589e\u5f3a\u4eba\u7c7b\u79d1\u5b66\u5bb6\u7684\u4e13\u4e1a\u77e5\u8bc6\uff0c\u4ece\u800c\u66f4\u5feb\u5730\u8bbe\u8ba1\u51fa\u66f4\u597d\u7684\u5206\u5b50\u3002\u201d<\/em><\/p>\n\n\n\n<p>\u8be5\u56e2\u961f\u5229\u7528\u8fd9\u4e00\u5e73\u53f0\u5df2\u7ecf\u751f\u6210\u4e86\u591a\u4e2a\u975e\u5e38\u6709\u524d\u666f\u7684\u65e9\u671f\u5206\u5b50\uff0c\u8fd9\u4e9b\u5206\u5b50\u5df2\u88ab\u5408\u6210\uff0c\u7528\u4e8e\u8fdb\u4e00\u6b65\u7684\u63a2\u7d22\u3002<\/p>\n\n\n\n<p>\u9664\u4e86\u4e2d\u56fd\u548c\u82f1\u56fd\u7684\u56e2\u961f\u5916\uff0c\u6211\u4eec\u4f4d\u4e8e\u8377\u5170\u7684\u56e2\u961f\u4e5f\u5728\u4e0d\u65ad\u53d1\u5c55\u58ee\u5927\uff0c\u5168\u7403\u77e5\u540d\u673a\u5668\u5b66\u4e60\u4e13\u5bb6 <a href=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/people\/maxwelling\/\">Max Welling<\/a> \u4e5f\u52a0\u76df\u5176\u4e2d\u3002\u4eca\u5929\uff0c\u6211\u540c\u6837\u9ad8\u5174\u5730\u5ba3\u5e03\uff0c\u6211\u4eec\u5728\u963f\u59c6\u65af\u7279\u4e39\u7684\u5168\u65b0\u5b9e\u9a8c\u5ba4\u5c06\u843d\u6237\u6b63\u5728\u5efa\u8bbe\u4e2d\u7684\u963f\u59c6\u65af\u7279\u4e39\u79d1\u5b66\u56ed <a class=\"msr-external-link glyph-append glyph-append-open-in-new-tab glyph-append-xsmall\" rel=\"noopener noreferrer\" target=\"_blank\" href=\"https:\/\/www.amsterdamsciencepark.nl\/news\/matrix-one-a-catalyst-for-science-based-business\/\">Matrix One<span class=\"sr-only\"> (opens in new tab)<\/span><\/a>\u3002\u8fd9\u4e2a\u4e13\u95e8\u5efa\u9020\u7684\u529e\u516c\u7a7a\u95f4\u7d27\u90bb\u963f\u59c6\u65af\u7279\u4e39\u5927\u5b66\u548c\u963f\u59c6\u65af\u7279\u4e39\u81ea\u7531\u5927\u5b66\uff0c\u6211\u4eec\u5c06\u901a\u8fc7\u8054\u5408\u57f9\u517b\u535a\u58eb\u751f\u7b49\u8ba1\u5212\uff0c\u4e0e\u8fd9\u4e24\u6240\u5927\u5b66\u4fdd\u6301\u7d27\u5bc6\u5408\u4f5c\u3002<\/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\/08\/ai4science-3-1024x576.jpg\" alt=\"\u963f\u59c6\u65af\u7279\u4e39\u79d1\u5b66\u56ed Matrix One\" class=\"wp-image-1070703\" srcset=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-3-1024x576.jpg 1024w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-3-300x169.jpg 300w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-3-768x432.jpg 768w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-3-1536x864.jpg 1536w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-3-1066x600.jpg 1066w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-3-655x368.jpg 655w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-3-240x135.jpg 240w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-3-640x360.jpg 640w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-3-960x540.jpg 960w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-3-1280x720.jpg 1280w, https:\/\/newed.any0.dpdns.org\/en-us\/research\/wp-content\/uploads\/2024\/08\/ai4science-3.jpg 1920w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption class=\"wp-element-caption\"><em>\u963f\u59c6\u65af\u7279\u4e39\u79d1\u5b66\u56ed Matrix One<\/em><\/figcaption><\/figure>\n\n\n\n<p><\/p>\n\n\n\n<p>\u6211\u4eec\u6000\u7740\u81ea\u8c6a\u548c\u5174\u594b\u7684\u5fc3\u60c5\u6c47\u805a\u6210\u4e00\u4e2a\u8de8\u5730\u57df\u7684\u56e2\u961f\uff0c\u8ffd\u968f\u5148\u9a71\u8005\u7684\u811a\u6b65\uff0c\u4e3a\u79d1\u5b66\u53d1\u73b0\u7684\u4e0b\u4e00\u4e2a\u8303\u5f0f\u505a\u51fa\u81ea\u5df1\u7684\u8d21\u732e\uff0c\u5e76\u5728\u6b64\u8fc7\u7a0b\u4e2d\u7ed9\u8bf8\u591a\u91cd\u8981\u7684\u793e\u4f1a\u6311\u6218\u5e26\u6765\u6709\u76ca\u7684\u5f71\u54cd\u3002\u5982\u679c\u4f60\u4e5f\u548c\u6211\u4eec\u6709\u7740\u540c\u6837\u7684\u6fc0\u60c5\u548c\u62b1\u8d1f\uff0c\u5e0c\u671b\u52a0\u5165\u6211\u4eec\u7684\u56e2\u961f\uff0c\u6b22\u8fce\u67e5\u770b\u6211\u4eec\u7684<a href=\"https:\/\/newed.any0.dpdns.org\/en-us\/research\/lab\/microsoft-research-ai4science\/opportunities\/?\">\u5f00\u653e\u804c\u4f4d<\/a>\uff0c\u4e5f\u6b22\u8fce\u4f60\u4e0e\u6211\u4eec\u7684\u56e2\u961f\u6210\u5458\u53d6\u5f97\u8054\u7cfb\u3002<\/p>\n\n\n\n<p>\u672c\u6587\u4f5c\u8005\uff1aChris Bishop\uff0c\u5fae\u8f6f\u6280\u672f\u9662\u58eb\u3001\u5fae\u8f6f\u7814\u7a76\u9662\u79d1\u5b66\u667a\u80fd\u4e2d\u5fc3\u8d1f\u8d23\u4eba<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u672a\u6765\u5341\u5e74\uff0c\u6df1\u5ea6\u5b66\u4e60\u6ce8\u5b9a\u5c06\u4f1a\u7ed9\u81ea\u7136\u79d1\u5b66\u5e26\u6765\u53d8\u9769\u6027\u7684\u5f71\u54cd\u3002\u5176\u7ed3\u679c\u5177\u6709\u6f5c\u5728\u7684\u6df1\u8fdc\u610f\u4e49\uff0c\u53ef\u80fd\u4f1a\u6781\u5927\u5730\u63d0\u9ad8\u6211\u4eec\u5728\u5dee\u5f02\u5de8\u5927\u7684\u7a7a\u95f4\u548c\u65f6\u95f4\u5c3a\u5ea6\u4e0a\u5bf9\u81ea\u7136\u73b0\u8c61\u8fdb\u884c\u5efa\u6a21\u548c\u9884\u6d4b\u7684\u80fd\u529b\u3002\u8fd9\u79cd\u80fd\u529b\u662f\u5426\u4ee3\u8868\u7740\u79d1\u5b66\u53d1\u73b0\u65b0\u8303\u5f0f\u7684\u66d9\u5149\uff1f \u56fe\u7075\u5956\u83b7\u5f97\u8005\u3001\u524d\u5fae\u8f6f\u6280\u672f\u9662\u58eb Jim Gray 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