Mixed Heuristic Search for Sketch Prediction on Chemical Structure Drawing
| dc.contributor.author | Kang, Bo | en_US |
| dc.contributor.author | Hu, Hao | en_US |
| dc.contributor.author | LaViola, Joseph J. | en_US |
| dc.contributor.editor | Metin Sezgin | en_US |
| dc.date.accessioned | 2016-02-25T09:22:53Z | |
| dc.date.available | 2016-02-25T09:22:53Z | |
| dc.date.issued | 2014 | en_US |
| dc.description.abstract | Sketching is a natural way to input chemical structures that can be used to query information from a large chemical structure database. Based on a user's incomplete sketch of a chemical structure, sketch prediction becomes a challenging problem not only due to arbitrary drawings orders among users but also similarities among chemical structure layouts. In this paper, we present a graph-based approach to handle the sketch prediction problem. We use multisets as the data representation of hand-drawn chemical structures and create an undirected graph to handle data in all multisets. This approach transforms the sketch prediction problem into a search problem to find a hamiltonian path in the corresponding sub-graph with polynomial time complexity. We introduce mixed heuristics to guide the search procedure. Through an initial experiment on a hand-drawn chemical structure dataset, we demonstrate that in comparison with a baseline method, the proposed approach improves the prediction accuracy and efficiently predicts chemical structures from only partially sketched drawings. | en_US |
| dc.description.sectionheaders | Sketching | en_US |
| dc.description.seriesinformation | Sketch Based Interfaces and Modeling | en_US |
| dc.identifier.doi | 10.1145/2630407.2630408 | en_US |
| dc.identifier.isbn | 978-1-4503-3018-34 | en_US |
| dc.identifier.issn | 1812-3503 | en_US |
| dc.identifier.pages | 27-34 | en_US |
| dc.identifier.uri | https://doi.org/10.1145/2630407.2630408 | en_US |
| dc.publisher | ACM | en_US |
| dc.subject | I.7.5 [Document management and text processing] | en_US |
| dc.subject | Document capture | en_US |
| dc.subject | Graphics recognition and interpretation | en_US |
| dc.subject | I.2.8 [Artificial intelligence] | en_US |
| dc.subject | Search methodologies | en_US |
| dc.subject | Search with partial observations | en_US |
| dc.subject | Chemical Structure Sketch Prediction | en_US |
| dc.subject | Graph Search | en_US |
| dc.subject | Heuristics | en_US |
| dc.subject | Hamiltonian Path | en_US |
| dc.title | Mixed Heuristic Search for Sketch Prediction on Chemical Structure Drawing | en_US |