Demo Data from VLDB 2026 / reviewers in the wild / expert
Ankit Ghosh
dblp:374/9975
· DBLP profile ↗
1ranked-venue papers
1as first author
1since 2021 · last 2025
—ORCID · none
Domains — the database's venue-derived domains; a paper can count in several
Artificial intelligence and machine learning · 1 · 1 first-author · 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 |
Graph learning · 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 |
|---|---|---|---|---|
Machine learning › Graph learning
graph neural network |
0.9 | 1 | 2025 | Learning Condensed Graph via Differentiable Atom Mapping for Reaction Yield Prediction · ICML 2025 |
Bioinformatics and computational biology › molecular informatics
cheminformatics |
0.9 | 1 | 2025 | Learning Condensed Graph via Differentiable Atom Mapping for Reaction Yield Prediction · ICML 2025 |
Methods — techniques the papers use, named apart from their topics
transformer · 1.7distant supervision · 1.7differentiable atom mapping · 1.7
| Year | Publication | Venue | Position |
|---|---|---|---|
| 2025 | Learning Condensed Graph via Differentiable Atom Mapping for Reaction Yield PredictionabstractYield of chemical reactions generally depends on the activation barrier, i.e., the energy difference between the reactant and the transition state. Computing the transition state from the reactant and product graphs requires prior knowledge of the correct node alignment (i.e., atom mapping), which is not available in yield prediction datasets. In this work, we propose YieldNet, a neural yield prediction model, which tackles these challenges. Here, we first approximate the atom mapping between the reactants and products using a differentiable node alignment network. We then use this approximate atom mapping to obtain a noisy realization of the condensed graph of reaction (CGR), which is a supergraph encompassing both the reactants and products. This CGR serves as a surrogate for the transition state graph structure. The CGR embeddings of different steps in a multi-step reaction are then passed into a transformer-guided reaction path encoder. Our experiments show that YieldNet can predict the yield more accurately than the baselines. Furthermore, the model is trained only under the distant supervision of yield values, without requiring fine-grained supervision of atom mapping. Ankit Ghosh, Gargee Kashyap, Sarthak Mittal, Nupur Jain, Raghavan B. Sunoj, Abir De |
ICML | 1 |