{"id":"https://openalex.org/W7147189470","doi":"https://doi.org/10.48550/arxiv.2603.29723","title":"Reinforced Reasoning for End-to-End Retrosynthetic Planning","display_name":"Reinforced Reasoning for End-to-End Retrosynthetic Planning","publication_year":2026,"publication_date":"2026-03-31","ids":{"openalex":"https://openalex.org/W7147189470","doi":"https://doi.org/10.48550/arxiv.2603.29723"},"language":null,"primary_location":{"id":"doi:10.48550/arxiv.2603.29723","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2603.29723","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"},"type":"preprint","indexed_in":["datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.48550/arxiv.2603.29723","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5120644180","display_name":"Chenyang Zuo","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Zuo, Chenyang","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5132576607","display_name":"Siqi Fan","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Fan, Siqi","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5132722167","display_name":"Yizhen Luo","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Luo, Yizhen","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5047496977","display_name":"Zaiqing Nie","orcid":"https://orcid.org/0000-0002-1134-2343"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Nie, Zaiqing","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10906","display_name":"AI-based Problem Solving and Planning","score":0.4401000142097473,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10906","display_name":"AI-based Problem Solving and Planning","score":0.4401000142097473,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.04470000043511391,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10462","display_name":"Reinforcement Learning in Robotics","score":0.03959999978542328,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/retrosynthetic-analysis","display_name":"Retrosynthetic analysis","score":0.5331000089645386},{"id":"https://openalex.org/keywords/robustness","display_name":"Robustness (evolution)","score":0.3837999999523163},{"id":"https://openalex.org/keywords/reinforcement-learning","display_name":"Reinforcement learning","score":0.37139999866485596},{"id":"https://openalex.org/keywords/generative-grammar","display_name":"Generative grammar","score":0.3684999942779541},{"id":"https://openalex.org/keywords/heuristics","display_name":"Heuristics","score":0.33959999680519104},{"id":"https://openalex.org/keywords/flexibility","display_name":"Flexibility (engineering)","score":0.33500000834465027},{"id":"https://openalex.org/keywords/representation","display_name":"Representation (politics)","score":0.3174000084400177},{"id":"https://openalex.org/keywords/abductive-reasoning","display_name":"Abductive reasoning","score":0.314300000667572}],"concepts":[{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.6033999919891357},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5738000273704529},{"id":"https://openalex.org/C42437451","wikidata":"https://www.wikidata.org/wiki/Q902227","display_name":"Retrosynthetic analysis","level":3,"score":0.5331000089645386},{"id":"https://openalex.org/C63479239","wikidata":"https://www.wikidata.org/wiki/Q7353546","display_name":"Robustness (evolution)","level":3,"score":0.3837999999523163},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.3718999922275543},{"id":"https://openalex.org/C97541855","wikidata":"https://www.wikidata.org/wiki/Q830687","display_name":"Reinforcement learning","level":2,"score":0.37139999866485596},{"id":"https://openalex.org/C39890363","wikidata":"https://www.wikidata.org/wiki/Q36108","display_name":"Generative grammar","level":2,"score":0.3684999942779541},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.35670000314712524},{"id":"https://openalex.org/C127705205","wikidata":"https://www.wikidata.org/wiki/Q5748245","display_name":"Heuristics","level":2,"score":0.33959999680519104},{"id":"https://openalex.org/C2780598303","wikidata":"https://www.wikidata.org/wiki/Q65921492","display_name":"Flexibility (engineering)","level":2,"score":0.33500000834465027},{"id":"https://openalex.org/C2776359362","wikidata":"https://www.wikidata.org/wiki/Q2145286","display_name":"Representation (politics)","level":3,"score":0.3174000084400177},{"id":"https://openalex.org/C166088908","wikidata":"https://www.wikidata.org/wiki/Q308495","display_name":"Abductive reasoning","level":2,"score":0.314300000667572},{"id":"https://openalex.org/C2780451532","wikidata":"https://www.wikidata.org/wiki/Q759676","display_name":"Task (project management)","level":2,"score":0.3133000135421753},{"id":"https://openalex.org/C64543145","wikidata":"https://www.wikidata.org/wiki/Q162942","display_name":"Intersection (aeronautics)","level":2,"score":0.3093999922275543},{"id":"https://openalex.org/C34413123","wikidata":"https://www.wikidata.org/wiki/Q170978","display_name":"Robotics","level":3,"score":0.30660000443458557},{"id":"https://openalex.org/C2781181686","wikidata":"https://www.wikidata.org/wiki/Q4226068","display_name":"Coherence (philosophical gambling strategy)","level":2,"score":0.3059000074863434},{"id":"https://openalex.org/C161301231","wikidata":"https://www.wikidata.org/wiki/Q3478658","display_name":"Knowledge representation and reasoning","level":2,"score":0.29809999465942383},{"id":"https://openalex.org/C48044578","wikidata":"https://www.wikidata.org/wiki/Q727490","display_name":"Scalability","level":2,"score":0.2962000072002411},{"id":"https://openalex.org/C73301696","wikidata":"https://www.wikidata.org/wiki/Q5469984","display_name":"Formalism (music)","level":3,"score":0.26080000400543213},{"id":"https://openalex.org/C85847156","wikidata":"https://www.wikidata.org/wiki/Q59015987","display_name":"Verifiable secret sharing","level":3,"score":0.2599000036716461}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.48550/arxiv.2603.29723","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2603.29723","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"doi:10.48550/arxiv.2603.29723","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2603.29723","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/11","score":0.6281883120536804,"display_name":"Sustainable cities and communities"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"Retrosynthetic":[0],"planning":[1,46,125],"is":[2],"a":[3,74,81,87],"fundamental":[4],"task":[5],"in":[6,123],"organic":[7],"chemistry,":[8],"yet":[9],"remains":[10],"challenging":[11],"due":[12],"to":[13,96,127],"its":[14],"combinatorial":[15],"complexity.":[16],"To":[17,48],"address":[18],"this,":[19],"conventional":[20],"approaches":[21],"typically":[22],"rely":[23],"on":[24,112],"hybrid":[25,128],"frameworks":[26],"that":[27,70,91,115],"combine":[28],"single-step":[29],"predictions":[30],"with":[31,99,106],"external":[32],"search":[33],"heuristics,":[34],"inevitably":[35],"fracturing":[36],"the":[37,59],"logical":[38],"coherence":[39],"between":[40],"local":[41],"molecular":[42,83],"transformations":[43],"and":[44,52,85],"global":[45],"objectives.":[47],"bridge":[49],"this":[50],"gap":[51],"embed":[53],"sophisticated":[54],"strategic":[55],"foresight":[56],"directly":[57],"into":[58],"model's":[60],"chemical":[61],"reasoning,":[62],"we":[63],"introduce":[64],"ReTriP,":[65],"an":[66],"end-to-end":[67],"generative":[68],"framework":[69],"reformulates":[71],"retrosynthesis":[72],"as":[73],"direct":[75],"Chain-of-Thought":[76],"reasoning":[77,94],"task.":[78],"We":[79],"establish":[80],"path-coherent":[82],"representation":[84],"employ":[86],"progressive":[88],"training":[89],"curriculum":[90],"transitions":[92],"from":[93],"distillation":[95],"reinforcement":[97],"learning":[98],"verifiable":[100],"rewards,":[101],"effectively":[102],"aligning":[103],"stepwise":[104],"generation":[105],"practical":[107],"route":[108],"utility.":[109],"Empirical":[110],"evaluation":[111],"RetroBench":[113],"demonstrates":[114],"ReTriP":[116],"achieves":[117],"state-of-the-art":[118],"performance,":[119],"exhibiting":[120],"superior":[121],"robustness":[122],"long-horizon":[124],"compared":[126],"baselines.":[129]},"counts_by_year":[],"updated_date":"2026-07-01T06:00:48.157686","created_date":"2026-04-02T00:00:00"}
