Demo Data from VLDB 2026 / reviewers in the wild / expert
Jihye Roh
dblp:372/0425
· DBLP profile ↗
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
| Topic | Weight | Papers | Last | Evidence papers |
|---|---|---|---|---|
Knowledge, reasoning and agents › Planning, search and constraint satisfaction › task planning
chemical synthesis planning |
0.8 | 1 | 2024 | Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search · NeurIPS 2024 |
Knowledge, reasoning and agents › Planning, search and constraint satisfaction
search-based planning |
0.8 | 1 | 2024 | 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
| Year | Publication | Venue | Position |
|---|---|---|---|
| 2024 | Double-Ended Synthesis Planning with Goal-Constrained Bidirectional SearchabstractComputer-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 |
NeurIPS | 2 |