Simon J. L. Billinge

16 papers A 1Misc 1Journal 14

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	CbLDM: A Diffusion Model for recovering nanostructure from pair distribution function. CoRR Jiarui Cao, Zhiyang Zhang, Heming Wang, Jun Xu, Ling Lan, Ran Gu, Simon J. L. Billinge
2025	J	`jnl`	Representation of Inorganic Synthesis Reactions and Prediction: Graphical Framework and Datasets. CoRR Samuel Andrello, Daniel Alabi, Simon J. L. Billinge
2025	J	`jnl`	scikit-package - software packaging standards and roadmap for sharing reproducible scientific software. CoRR S. Lee, C. Myers, A. Yang, T. Zhang, Simon J. L. Billinge
2024	J	`jnl`	Diffusion Models Are Promising for Ab Initio Structure Solutions from Nanocrystalline Powder Diffraction Data. CoRR Gabe Guo, Tristan Saidi, Maxwell Terban, Simon J. L. Billinge, Hod Lipson
2024	J	`jnl`	Multi-modal Machine Learning Analysis of X-ray Absorption Near-Edge Spectra and Pair Distribution Functions: Performance and Interpretability towards Experimental Design. CoRR Tanaporn Na Narong, Zoe N. Zachko, Steven B. Torrisi, Simon J. L. Billinge
2023	J	`jnl`	Towards End-to-End Structure Solutions from Information-Compromised Diffraction Data via Generative Deep Learning. CoRR Gabe Guo, Judah Goldfeder, Ling Lan, Aniv Ray, Albert Hanming Yang, Boyuan Chen, Simon J. L. Billinge, Hod Lipson
2022	J	`jnl`	Towards a machine-readable literature: finding relevant papers based on an uploaded powder diffraction pattern. CoRR Berrak Özer, Martin A. Karlsen, Zachary Thatcher, Ling Lan, Brian McMahon, Peter R. Strickland, Simon P. Westrip, Koh S. Sang, David G. Billing, Dorthe B. Ravnsbæk, Simon J. L. Billinge
2021	J	`jnl`	A fast two-stage algorithm for non-negative matrix factorization in streaming data. CoRR Ran Gu, Qiang Du, Simon J. L. Billinge
2020	J	`jnl`	Validation of non-negative matrix factorization for assessment of atomic pair-distribution function (PDF) data in a real-time streaming context. CoRR Chia-Hao Liu, Christopher J. Wright, Ran Gu, Sasaank Bandi, Allison Wustrow, Paul K. Todd, Daniel O'Nolan, Michelle L. Beauvais, James R. Neilson, Peter J. Chupas, Karena W. Chapman, Simon J. L. Billinge
2018	J	`jnl`	Recent results on assigned and unassigned distance geometry with applications to protein molecules and nanostructures. Ann. Oper. Res. Simon J. L. Billinge, Phillip M. Duxbury, Douglas Soares Gonçalves, Carlile Lavor, Antonio Mucherino
2016	J	`jnl`	Assigned and unassigned distance geometry: applications to biological molecules and nanostructures. 4OR Simon J. L. Billinge, Phillip M. Duxbury, Douglas Soares Gonçalves, Carlile Lavor, Antonio Mucherino
2016	Misc	`conf`	Graph rigidity, unassigned distance geometry and the nanostructure problem. ACSSC Phillip M. Duxbury, Simon J. L. Billinge
2016	J	`jnl`	The unassigned distance geometry problem. Discret. Appl. Math. Phillip M. Duxbury, L. Granlund, S. R. Gujarathi, Pavol Juhas, Simon J. L. Billinge
2014	J	`jnl`	PDFgetXgui: a graphical user interface for PDFgetX3 for high throughput pair distribution function transformation and visualization. CoRR Xiaohao Yang, Pavol Juhas, Christopher L. Farrow, Simon J. L. Billinge
2007	J	`jnl`	Quantum correction to the pair distribution function. J. Comput. Chem. V. A. Levashov, Simon J. L. Billinge, M. F. Thorpe
2005	A	`conf`	Conformation of an ideal bucky ball molecule by genetic algorithm and geometric constraint from pair distance data: genetic algorithm. GECCO David M. Cherba, William F. Punch, Phillip M. Duxbury, Simon J. L. Billinge, Pavol Juhas