Demonstration venue · read-only. Every page can be browsed; the buttons that would change it are switched off. Create an account to run TaxoReview on your own data. A simulation from public publication records: the people listed were not invited and did not agree to review.
? Tutorial for this page

Jihye Roh

dblp:372/0425 · DBLP profile ↗
← Back
1ranked-venue papers
0as first author
1since 2021 · last 2024
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 1 · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Artificial intelligence
1 paper
Planning, search and constraint satisfaction · 100%
Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 100%

Topics — the 2 heaviest of 3, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Knowledge, reasoning and agents › Planning, search and constraint satisfaction › task planning
chemical synthesis planning
0.812024
Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search · NeurIPS 2024
Knowledge, reasoning and agents › Planning, search and constraint satisfaction
search-based planning
0.812024
Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search · NeurIPS 2024

Methods — techniques the papers use, named apart from their topics

one-step retrosynthesis model · 1.5hypergraph · 1.5goal-conditioned cost network · 1.5
YearPublicationVenuePosition
2024 Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search
abstract
Computer-aided synthesis planning (CASP) algorithms have demonstrated expert-level abilities in planning retrosynthetic routes to molecules of low to moderate complexity. However, current search methods assume the sufficiency of reaching arbitrary building blocks, failing to address the common real-world constraint where using specific molecules is desired. To this end, we present a formulation of synthesis planning with starting material constraints. Under this formulation, we propose Double-Ended Synthesis Planning ($\texttt{DESP}$), a novel CASP algorithm under a _bidirectional graph search_ scheme that interleaves expansions from the target and from the goal starting materials to ensure constraint satisfiability. The search algorithm is guided by a goal-conditioned cost network learned offline from a partially observed hypergraph of valid chemical reactions. We demonstrate the utility of $\texttt{DESP}$ in improving solve rates and reducing the number of search expansions by biasing synthesis planning towards expert goals on multiple new benchmarks. $\texttt{DESP}$ can make use of existing one-step retrosynthesis models, and we anticipate its performance to scale as these one-step model capabilities improve.
Jihye Roh, Wenhao Gao 0001, Runzhong Wang, Connor W. Coley
NeurIPS2