Publications
Materials Discovery
- Gomes, C. P., Bai, J., Xue, Y., Björck, J., Rappazzo, B., Ament, S., Bernstein, R., Suram, S. K., van Dover, R. B., Gregoire, J. M. (2019). CRYSTAL: a multi-agent AI system for automated mapping of materials' crystal structures. MRS Communications, 1-9. 10.1557/mrc.2019.50
- Bai, J., Ament, S., Perez, G., Gregoire, J., & Gomes, C. (2018). An Efficient Relaxed Projection Method for Constrained Non-negative Matrix Factorization with Application to the Phase-Mapping Problem in Materials Science. CPAIOR 2018: Integration of Constraint Programming, Artificial Intelligence, and Operations Research. 52-62. doi: 10.1007/978-3-319-93031-2_4 [pdf]
- Bai, J., Xue, Y., Bjorck, J., Le Bras, R., Rappazzo, B., Bernstein, R., Suram, S. K., van Dover, R. B., Gregoire, J. M., Gomes, C. P. (2018). Phase Mapper: Accelerating Materials Discovery with AI. AI Magazine, 39(1), 15. doi: 10.1609/aimag.v39i1.2785 [pdf]
- Bai, J., Bjorck, J., Xue, Y., Suram, S. K., Gregoire, J., & Gomes, C. (2017). Relaxation Methods for Constrained Matrix Factorization Problems: Solving the Phase Mapping Problem in Materials Discovery. Fourteenth International Conference on Integration of Artificial Intelligence and Operations Research Techniques in Constraint Programming (CPAIOR), 104-112. doi: 10.1007/978-3-319-59776-8_9 [pdf]
- Xue, Y., Bai, J., Le Bras, R., Rappazzo, B., Bernstein, R., Bjorck, J., Longpre, L., Suram, S., van Dover, B., Gregoire, J., Gomes, C. (2017). Phase-Mapper: An AI Platform to Accelerate High Throughput Materials Discovery. IAAI. [pdf]
- Suram, S.K., Xue, Y., Bai, J., LeBras, R., Rappazzo, B.H., Bernstein, R., Bjorck, J., Zhou, L., van Dover, R.B., Gomes, C.P. and Gregoire, J.M. (2017). Automated Phase Mapping with AgileFD and its Application to Light Absorber Discovery in the V-Mn-Nb Oxide System. ACS Combinatorial Science, 19(1): 37-46. doi: 10.1021/acscombsci.6b00153 [pdf]
- Xue, Y., Ermon, S., Gomes, Carla P., & Selman, B. (2015). Uncovering Hidden Structure through Parallel Problem Decomposition for the Set Basis Problem: Application to Materials Discovery. IJCAI, 146-154. [pdf]
- Ermon, S., Le Bras, R., Suram, S. K., Gregoire, J. M., Gomes, C., Selman, B., & van Dover, R. (2015). Pattern Decomposition with Complex Combinatorial Constraints: Application to Materials Discovery. AAAI, 636-643. [pdf]
- Le Bras, R., Bernstein, R., Gregoire, J. M., Suram, S. K., Gomes, C. P., Selman, B., & van Dover, R. B. (2014). A Computational Challenge Problem in Materials Discovery: Synthetic Problem Generator and Real-World Datasets. AAAI, 438-443. [pdf]
- Le Bras, R., Xue, Y., Bernstein, R., Gomes, C. P., & Selman, B. (2014). A Human Computation Framework for Boosting Combinatorial Solvers. HCOMP, 121-132. [pdf]
- Finger, M., Le Bras, R., Gomes, C. P., & Selman, B. (2013). Solutions for hard and soft constraints using optimized probabilistic satisfiability. SAT, 7962, 233-249. doi:10.1007/978-3-642-39071-5_18 [pdf]
- Le Bras, R., Bernstein, R., Gomes, C. P., Selman, B., & van Dover, R. B. (2013). Crowdsourcing Backdoor Identification for Combinatorial Optimization. IJCAI, 2840-2847. [pdf]
- Ermon, S., Le Bras, R., Gomes, C. P., Selman, B., & van Dover, R. B. (2012). SMT-Aided Combinatorial Materials Discovery. SAT, 7317, 172-185. doi:10.1007/978-3-642-31612-8_14 [pdf]
- LeBras, R., Damoulas, T., Gregoire, J. M., Sabharwal, A., Gomes, C. P., & van Dover, R. B. (2011). Constraint reasoning and Kernel clustering for pattern decomposition with scaling. CP, 508-522. doi:10.1007/978-3-642-23786-7_39 [pdf]