{"id":5666,"date":"2026-10-20T13:51:18","date_gmt":"2026-10-20T05:51:18","guid":{"rendered":"https:\/\/www.15zhi.net\/blog\/?p=5666"},"modified":"2026-10-20T13:51:18","modified_gmt":"2026-10-20T05:51:18","slug":"202610-%e8%ae%ba%e6%96%87%e7%a0%94%e8%af%bb-llm-guided-chemical-process-optimization-with-a-multi-agent-approach","status":"publish","type":"post","link":"https:\/\/www.15zhi.net\/blog\/202610-%e8%ae%ba%e6%96%87%e7%a0%94%e8%af%bb-llm-guided-chemical-process-optimization-with-a-multi-agent-approach\/","title":{"rendered":"202610 \u8bba\u6587\u7814\u8bfb-LLM-guided Chemical Process Optimization with a Multi-Agent Approach"},"content":{"rendered":"\n

\u4f5c\u8005\uff1aTong Zeng\u3001Srivathsan Badrinarayanan\u3001Janghoon Ock
\u65f6\u95f4\uff1a2025 \u5e74 10 \u6708
\u6765\u6e90\uff1aarXiv<\/p>\n\n\n\n

\u80cc\u666f<\/h2>\n\n\n\n

\u5316\u5de5\u8fc7\u7a0b\u4f18\u5316\u7684\u5e38\u89c4\u65b9\u6cd5\uff0c\u65e0\u8bba\u662f\u68af\u5ea6\u6c42\u89e3\u5668 IPOPT\u3001SNOPT\uff0c\u8fd8\u662f\u7f51\u683c\u641c\u7d22\u3001\u8fdb\u5316\u7b97\u6cd5\u3001\u8d1d\u53f6\u65af\u4f18\u5316\uff0c\u90fd\u8981\u6c42\u5148\u7ed9\u51fa\u5b8c\u6574\u7684\u8bbe\u8ba1\u7a7a\u95f4\uff0c\u4e5f\u5c31\u662f\u6bcf\u4e2a\u51b3\u7b56\u53d8\u91cf\u7684\u4e0a\u4e0b\u754c\u3002\u65b0\u5de5\u827a\u548c\u6539\u9020\u9879\u76ee\u5f80\u5f80\u62ff\u4e0d\u51fa\u8fd9\u4e9b\u8fb9\u754c\uff0c\u5de5\u7a0b\u5e08\u53ea\u80fd\u51ed\u7ecf\u9a8c\u4f30\u8ba1\uff0c\u4f30\u8ba1\u7684\u7ed3\u679c\u56e0\u4eba\u800c\u5f02\u3002IDAES\u3001Pyomo \u8fd9\u7c7b\u5efa\u6a21\u5e73\u53f0\u540c\u6837\u8981\u6c42\u7528\u6237\u5148\u5199\u597d\u53d8\u91cf\u8fb9\u754c\u548c\u5149\u6ed1\u7684\u76ee\u6807\u51fd\u6570\u3002\u4f5c\u8005\u628a\u8fd9\u4ef6\u4e8b\u53eb”\u7ea6\u675f\u5b9a\u4e49\u74f6\u9888”\u3002<\/p>\n\n\n\n

\u5df2\u6709\u7684\u5927\u6a21\u578b\u5de5\u4f5c\u5927\u591a\u505c\u5728\u5408\u6210\u8def\u7ebf\u89c4\u5212\u3001\u6750\u6599\u53d1\u73b0\u6216\u63a7\u5236\u7cfb\u7edf\u8bbe\u8ba1\u8fd9\u4e9b\u5355\u6b65\u51b3\u7b56\u4e0a\uff0c\u5f88\u5c11\u8fdb\u5165\u7a33\u6001\u6d41\u7a0b\u4eff\u771f\u548c\u8fc7\u7a0b\u4f18\u5316\uff0c\u7528\u591a\u667a\u80fd\u4f53\u4ece\u6587\u5b57\u63cf\u8ff0\u91cc\u81ea\u52a8\u751f\u6210\u64cd\u4f5c\u7ea6\u675f\u7684\u5de5\u4f5c\u66f4\u5c11\u3002<\/p>\n\n\n\n

\u6838\u5fc3\u8d21\u732e<\/h2>\n\n\n\n

\u4f5c\u8005\u58f0\u79f0\u7684\u8d21\u732e\u6709\u4e24\u70b9\uff1a<\/p>\n\n\n\n

    \n
  1. \u53ea\u7ed9\u4e00\u6bb5\u7b80\u77ed\u7684\u5de5\u827a\u63cf\u8ff0\uff0c\u7531\u5927\u6a21\u578b\u81ea\u52a8\u63a8\u65ad\u5404\u51b3\u7b56\u53d8\u91cf\u7684\u64cd\u4f5c\u8fb9\u754c\uff0c\u4e0d\u9700\u8981\u9884\u5148\u7ed9\u5b9a\u3002<\/li>\n\n\n\n
  2. \u5728\u63a8\u65ad\u51fa\u7684\u8fb9\u754c\u5185\uff0c\u7531\u591a\u4e2a\u667a\u80fd\u4f53\u534f\u4f5c\u5b8c\u6210\u4f18\u5316\u3002\u667a\u80fd\u4f53\u7528\u81ea\u7136\u8bed\u8a00\u8bf4\u660e\u6bcf\u4e00\u6b65\u4e3a\u4ec0\u4e48\u8fd9\u6837\u8c03\u53c2\u6570\uff0c\u641c\u7d22\u8fc7\u7a0b\u53ef\u4ee5\u89e3\u91ca\u3002<\/li>\n<\/ol>\n\n\n\n

    \u8bba\u6587\u540c\u65f6\u5f3a\u8c03\u4e24\u70b9\u5b9e\u7528\u6027\uff1a\u4e0d\u8981\u6c42\u76ee\u6807\u51fd\u6570\u53ef\u5bfc\uff0c\u4e5f\u4e0d\u9700\u8981\u8bad\u7ec3\u6a21\u578b\u6216 GPU\uff0c\u53ea\u8c03\u7528 API\u3002<\/p>\n\n\n\n

    \u65b9\u6cd5<\/h2>\n\n\n\n
    \"\"<\/figure>\n\n\n\n

    \u7cfb\u7edf\u5efa\u5728 AutoGen \u7684 GroupChat \u4e0a\uff0c\u7528 OpenAI \u7684 o3\uff0c\u5206\u4e24\u4e2a\u9636\u6bb5\u3002<\/p>\n\n\n\n

    \u7b2c\u4e00\u9636\u6bb5\uff0c\u7ea6\u675f\u751f\u6210\u3002<\/strong> ContextAgent \u5355\u72ec\u5de5\u4f5c\u3002\u5b83\u62ff\u5230\u5de5\u827a\u63cf\u8ff0\u540e\uff0c\u51ed\u6a21\u578b\u81ea\u5e26\u7684\u9886\u57df\u77e5\u8bc6\u63a8\u65ad\u6bcf\u4e2a\u51b3\u7b56\u53d8\u91cf\u7684\u4e0a\u4e0b\u754c\uff0c\u5e76\u5199\u51fa\u4e00\u4efd\u5de5\u827a\u6982\u8ff0\u3002\u4e3a\u4e86\u538b\u4f4e\u968f\u673a\u6027\uff0c\u540c\u6837\u7684\u63d0\u793a\u72ec\u7acb\u8fd0\u884c 5 \u6b21\uff0c\u5bf9\u6bcf\u4e2a\u53d8\u91cf\u7684\u4e0a\u4e0b\u754c\u53d6\u5e73\u5747\uff0c\u4f5c\u4e3a\u540e\u7eed\u4f18\u5316\u4f7f\u7528\u7684\u8fb9\u754c\u3002<\/p>\n\n\n\n

    \u7b2c\u4e8c\u9636\u6bb5\uff0c\u8fed\u4ee3\u4f18\u5316\u3002<\/strong> \u56db\u4e2a\u667a\u80fd\u4f53\u6309\u56fa\u5b9a\u987a\u5e8f\u534f\u4f5c\uff1a<\/p>\n\n\n\n

      \n
    • ParameterAgent \u63a5\u6536\u7528\u6237\u7ed9\u7684\u521d\u503c\u3002\u521d\u503c\u53ef\u4ee5\u4efb\u610f\uff0c\u751a\u81f3\u53ef\u4ee5\u8d8a\u754c\u3002<\/li>\n\n\n\n
    • ValidationAgent \u628a\u53c2\u6570\u548c\u8fb9\u754c\u5bf9\u6bd4\uff0c\u8d8a\u754c\u5c31\u6307\u51fa\u662f\u54ea\u4e2a\u53d8\u91cf\u3002<\/li>\n\n\n\n
    • SimulationAgent \u8c03\u7528\u9884\u5148\u5efa\u597d\u7684 IDAES \u6a21\u578b\uff0c\u8ba1\u7b97\u6210\u672c\u3001\u6536\u7387\u6216\u6536\u7387\u6210\u672c\u6bd4\u3002<\/li>\n\n\n\n
    • SuggestionAgent \u4fdd\u5b58\u5168\u90e8\u5386\u53f2\u8bb0\u5f55\uff0c\u6839\u636e\u8d8b\u52bf\u63d0\u51fa\u4e0b\u4e00\u7ec4\u53c2\u6570\u7684\u76f8\u5bf9\u589e\u91cf\u3002\u5b83\u5224\u65ad\u6539\u8fdb\u5df2\u7ecf\u53d8\u5c0f\u65f6\uff0c\u8f93\u51fa TERMINATE\uff0c\u4f18\u5316\u7ed3\u675f\u3002<\/li>\n<\/ul>\n\n\n\n

      \u53d1\u8a00\u987a\u5e8f\u7531\u4e00\u4e2a\u9009\u62e9\u51fd\u6570\u51b3\u5b9a\uff0c\u4f9d\u636e\u662f\u4e0a\u4e00\u4e2a\u53d1\u8a00\u8005\u548c\u6d88\u606f\u5185\u5bb9\uff0c\u907f\u514d\u6765\u56de\u91cd\u590d\u3002\u8bba\u6587\u628a”\u81ea\u4e3b”\u5b9a\u4e49\u4e3a\uff1a\u6bcf\u4e2a\u667a\u80fd\u4f53\u53ea\u4f9d\u9760\u5185\u7f6e\u9886\u57df\u77e5\u8bc6\u3001\u751f\u6210\u7684\u7ea6\u675f\u548c\u5171\u4eab\u5386\u53f2\uff0c\u4e0d\u9700\u8981\u4eba\u4ecb\u5165\u5c31\u80fd\u63a8\u7406\u3001\u884c\u52a8\u3001\u8fed\u4ee3\u3002<\/p>\n\n\n\n

      \u5b9e\u9a8c<\/h2>\n\n\n\n

      \u5b9e\u9a8c\u5bf9\u8c61\u662f IDAES \u81ea\u5e26\u7684\u7532\u82ef\u52a0\u6c22\u8131\u70f7\u57fa\uff08HDA\uff09\u6d41\u7a0b\uff0c\u628a\u7532\u82ef\u8f6c\u5316\u6210\u82ef\u3002\u6d41\u7a0b\u5305\u542b\u6df7\u5408\u5668\u3001\u52a0\u70ed\u7089\u3001\u53cd\u5e94\u5668\u3001\u4e24\u4e2a\u95ea\u84b8\u7f50\u3001\u5206\u6d41\u5668\u548c\u538b\u7f29\u673a\uff0c\u53cd\u5e94\u5668\u5355\u7a0b\u8f6c\u5316\u7387\u56fa\u5b9a\u4e3a 75%\uff0c\u70ed\u529b\u5b66\u7528\u7406\u60f3\u6c7d\u6db2\u5e73\u8861\u3002\u51b3\u7b56\u53d8\u91cf\u6709 4 \u4e2a\uff1a\u52a0\u70ed\u7089\u51fa\u53e3\u6e29\u5ea6\u3001\u4e24\u4e2a\u95ea\u84b8\u7f50\u7684\u6e29\u5ea6\u3001\u7b2c\u4e8c\u4e2a\u95ea\u84b8\u7f50\u7684\u538b\u964d\u3002<\/p>\n\n\n\n

      \u4e09\u4e2a\u8bc4\u4ef7\u6307\u6807\uff1a<\/p>\n\n\n\n

        \n
      • \u5e74\u64cd\u4f5c\u6210\u672c\uff0c\u53ea\u542b\u52a0\u70ed\u548c\u51b7\u5374\u7684\u516c\u7528\u5de5\u7a0b\u8d39\u7528\uff0c\u4e0d\u542b\u56fa\u5b9a\u8d39\u7528\u548c\u6295\u8d44\u3002<\/li>\n\n\n\n
      • \u5e74\u4ea7\u91cf\uff0c\u53d6\u53cd\u5e94\u5668\u51fa\u53e3\u82ef\u7684\u6469\u5c14\u6d41\u91cf\u6298\u7b97\u3002<\/li>\n\n\n\n
      • \u6536\u7387\u6210\u672c\u6bd4\uff0c\u7528\u524d\u4e24\u8005\u76f8\u9664\u3002<\/li>\n<\/ul>\n\n\n\n
        \"\"<\/figure>\n\n\n\n

        \u7ea6\u675f\u8d28\u91cf\u3002<\/strong> 5 \u6b21\u72ec\u7acb\u751f\u6210\u7684\u8fb9\u754c\uff0c\u6e29\u5ea6\u7c7b\u53d8\u91cf\u7684\u53d8\u5f02\u7cfb\u6570\u4f4e\u4e8e 10%\uff0c\u538b\u964d\u7ea6 40%\u3002\u52a0\u70ed\u7089\u6e29\u5ea6\u7684\u5e73\u5747\u533a\u95f4\u662f [827.2, 975.2] K\uff0c\u548c\u6587\u732e\u62a5\u9053\u7684\u5de5\u4e1a\u8303\u56f4 [773, 977] K \u63a5\u8fd1\u3002<\/p>\n\n\n\n

        \"\"<\/figure>\n\n\n\n

        \u4f18\u5316\u7ed3\u679c\u3002<\/strong> \u5bf9\u6bd4\u5bf9\u8c61\u662f IPOPT \u548c\u7f51\u683c\u641c\u7d22\uff0c\u7f51\u683c\u5728\u6bcf\u4e2a\u53d8\u91cf\u4e0a\u53d6 10 \u4e2a\u79bb\u6563\u70b9\uff0c\u5171 10\u2074 \u4e2a\u7ec4\u5408\uff0c\u5168\u90e8\u4f7f\u7528\u4e0a\u9762\u53d6\u5e73\u5747\u540e\u7684\u8fb9\u754c\u3002\u4ee5\u7f51\u683c\u641c\u7d22\u7684\u76ee\u6807\u503c\u4e3a\u57fa\u51c6\uff0c\u5927\u6a21\u578b\u6846\u67b6\u5728\u4e09\u4e2a\u6307\u6807\u4e0a\u5206\u522b\u8fbe\u5230 97.72%\uff08\u6210\u672c\uff09\u300193.94%\uff08\u6536\u7387\uff09\u548c 97.79%\uff08\u6536\u7387\u6210\u672c\u6bd4\uff09\u3002\u6536\u7387\u8fd9\u4e00\u9879\u4e0a\u5b83\u8fd8\u9ad8\u4e8e IPOPT \u7684 89.43%\u3002<\/p>\n\n\n\n

        \"\"<\/figure>\n\n\n\n

        \u6548\u7387\u3002<\/strong> \u5927\u6a21\u578b\u6846\u67b6\u7528 21 \u5230 43 \u6b21\u8fed\u4ee3\u6536\u655b\uff0c\u4e09\u4e2a\u6307\u6807\u90fd\u5728 20 \u5206\u949f\u4ee5\u5185\u5b8c\u6210\uff1b\u7f51\u683c\u641c\u7d22\u56fa\u5b9a\u9700\u8981 10.5 \u5c0f\u65f6\uff0c\u4f5c\u8005\u636e\u6b64\u79f0\u5feb 31 \u500d\u3002\u6536\u7387\u4f18\u5316\u4e0a IPOPT \u7528\u4e86 81 \u6b21\u8fed\u4ee3\uff0c\u6846\u67b6\u53ea\u7528 26 \u6b21\u3002<\/p>\n\n\n\n

        \u53ef\u89e3\u91ca\u6027\u3002<\/strong> \u4f5c\u8005\u653e\u5bbd\u8f93\u51fa\u957f\u5ea6\u9650\u5236\u540e\u518d\u8dd1\u4e00\u6b21\u6210\u672c\u6700\u5c0f\u5316\uff0c\u667a\u80fd\u4f53\u7ed9\u51fa\u7684\u7406\u7531\u662f\uff1a\u7089\u6e29\u5c3d\u91cf\u9760\u8fd1\u4e0b\u754c\u4ee5\u51cf\u5c11\u71c3\u6599\uff0c\u4e24\u4e2a\u95ea\u84b8\u7f50\u6e29\u5ea6\u63a8\u5411\u533a\u95f4\u4e0a\u7aef\u4ee5\u51cf\u5c11\u5236\u51b7\uff0c\u7b2c\u4e8c\u4e2a\u95ea\u84b8\u7f50\u7684\u538b\u964d\u53d6\u673a\u68b0\u4e0a\u5141\u8bb8\u7684\u6700\u5c0f\u503c\u3002<\/p>\n\n\n\n

        \"\"<\/figure>\n\n\n\n

        \u6a21\u578b\u5bf9\u6bd4\u3002<\/strong> \u540c\u6837\u7684\u63d0\u793a\u3001\u8fb9\u754c\u548c\u5386\u53f2\u8bb0\u5f55\u4e0b\uff0c\u53ea\u6709 o3 \u548c o1 \u80fd\u6536\u655b\u5230\u63a5\u8fd1\u7f51\u683c\u641c\u7d22\u7684\u89e3\uff0c\u5206\u522b\u7528 11 \u548c 14 \u6b21\u8fed\u4ee3\uff1bGPT-4o \u548c GPT-4.1 \u5728 4 \u5230 5 \u6b21\u8fed\u4ee3\u540e\u5c31\u505c\u5728\u8f83\u5dee\u7684\u89e3\u4e0a\u3002<\/p>\n\n\n\n

        \u7ed3\u8bba<\/h2>\n\n\n\n

        \u5927\u6a21\u578b\u667a\u80fd\u4f53\u80fd\u4ece\u6700\u5c11\u7684\u5de5\u827a\u63cf\u8ff0\u91cc\u751f\u6210\u5de5\u7a0b\u4e0a\u5408\u7406\u7684\u64cd\u4f5c\u8fb9\u754c\uff0c\u5e76\u5728\u8fb9\u754c\u5185\u8fed\u4ee3\u4f18\u5316\uff0c\u4ece\u800c\u5728\u4f20\u7edf\u65b9\u6cd5\u65e0\u6cd5\u76f4\u63a5\u4f7f\u7528\u7684\u573a\u666f\u91cc\u5b8c\u6210\u8fc7\u7a0b\u4f18\u5316\u3002\u5728 HDA \u6d41\u7a0b\u4e0a\uff0c\u5b83\u4e0e IPOPT \u548c\u7f51\u683c\u641c\u7d22\u7684\u89e3\u8d28\u91cf\u76f8\u5f53\uff0c\u8ba1\u7b97\u65f6\u95f4\u5927\u5e45\u7f29\u77ed\uff0c\u800c\u4e14\u6bcf\u4e00\u6b65\u7684\u53d6\u820d\u90fd\u80fd\u7528\u81ea\u7136\u8bed\u8a00\u8bf4\u6e05\u695a\u3002\u4f5c\u8005\u8ba4\u4e3a\u8fd9\u964d\u4f4e\u4e86\u8fc7\u7a0b\u4f18\u5316\u7684\u4e13\u4e1a\u95e8\u69db\uff0c\u540e\u7eed\u53ef\u4ee5\u548c\u5de5\u827a\u6570\u636e\u5e93\u3001\u5e38\u89c4\u4f18\u5316\u5668\u7ed3\u5408\uff0c\u5e76\u6269\u5c55\u5230\u6d41\u7a0b\u5408\u6210\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"

        \u4f5c\u8005\uff1aTong Zeng\u3001Srivathsan Badrinarayanan\u3001Janghoon Ock\u65f6\u95f4\uff1a2 […]<\/p>\n","protected":false},"author":72,"featured_media":0,"comment_status":"closed","ping_status":"","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[1],"tags":[],"class_list":["post-5666","post","type-post","status-publish","format-standard","hentry","category-events"],"_links":{"self":[{"href":"https:\/\/www.15zhi.net\/blog\/wp-json\/wp\/v2\/posts\/5666","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.15zhi.net\/blog\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.15zhi.net\/blog\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.15zhi.net\/blog\/wp-json\/wp\/v2\/users\/72"}],"replies":[{"embeddable":true,"href":"https:\/\/www.15zhi.net\/blog\/wp-json\/wp\/v2\/comments?post=5666"}],"version-history":[{"count":1,"href":"https:\/\/www.15zhi.net\/blog\/wp-json\/wp\/v2\/posts\/5666\/revisions"}],"predecessor-version":[{"id":5672,"href":"https:\/\/www.15zhi.net\/blog\/wp-json\/wp\/v2\/posts\/5666\/revisions\/5672"}],"wp:attachment":[{"href":"https:\/\/www.15zhi.net\/blog\/wp-json\/wp\/v2\/media?parent=5666"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.15zhi.net\/blog\/wp-json\/wp\/v2\/categories?post=5666"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.15zhi.net\/blog\/wp-json\/wp\/v2\/tags?post=5666"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}