Dr Vitaliy Kurlin: mathematics & computer science

Data Science theory and applications. Everything is possible!

E-mail: vitaliy.kurlin(at)gmail.com, University of Liverpool, UK

The war in Ukraine should finish as soon as possible otherwise many more people can die across the world.

Our group is developing the new area of Geometric Data Science for applications in crystallography and materials.

If you are a potential postdoc, PhD student or intern with C++ or Python skills, read the post : how to join the group.

Data Science research : from theory to applications and back

Geometric and Topological Data Science

Videos of talks explaining key ideas and applications in a new area of Geometric Data Science, see also earlier videos

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Affiliations: current positions and connections

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News : success stories of the group in Data Science theory and applications

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Career highlights : leadership, awards, papers, keynotes, collaborations, mentoring

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Grants (larger than £10K), see also smaller grants

EPSRC logo New Horizons EPSRC grant with co-I Prof Andy Cooper FRS.
Budget : £250K covers a postdoctoral assistant, 2022-2024.
Title : Inverse design of periodic crystals (ref. EP/X018474/1).
RAEng logo Royal Academy of Engineering Industrial Fellowship at the Cambridge Crystallographic Data Centre.

Title : Data Science for Next Generation Engineering of Solid Crystalline Materials (ref IF2122\186).

The RAEng funded a 2-year teaching replacement (total £220K), the CCDC invested £60K for a PDRA.
NERC logo NERC grant (£965K, 2021-2023, ref NE/V010778/1) on improving plastic packaging is led by Dr Thomas McDonald. I am responsible for a Data Science analysis of plastic materials properties.
Title : Post-Consumer Resin - Understanding the quality-performance linkage for packaging.
Unilever logo Unilever's top-up (£18K, 2019-2021) for the PhD bursary of Thomas Welsh, who has done a great MSc thesis for Unilever in summer 2018 and continues working on Unilever's projects in his PhD.
EPSRC logo EPSRC grant led by Prof Ulrike Tillmann and Prof Heather Harrington from Oxford. The 100% budget is £3.5M over 2018 - 2023. I lead the Liverpool team with a budget over £715K including Professors Cooper, Spirakis, Potapov. This success has created the Centre for Topological Data Analysis.
Title : Application-driven Topological Data Analysis (ref. EP/R018472/1).
Royal Society logo The Royal Society International Exchanges grant (£12K over 2017-2019) for bilateral visits between our Data Science group at Liverpool and Prof Herbert Edelsbrunner's group at IST Austria.

Title : Topological Data Analysis for a faster discovery of new materials (IES/R2/170039).
Intel logo Intel gift ($40K per year) for Grzegorz Muszynski's PhD "Topological analysis of the Climate System" (2017-2020) funded through the Lawrence National Berkeley lab (US) at the University of Liverpool.
Microsoft logo Knowledge Transfer Secondments at Microsoft Research Cambridge with Dr Andrew Fitzgibbon.
2014 - 2016 : EPSRC gave about £25K, Microsoft Research provided £75K in-kind contribution. Covered visits to Prof Carlsson at Stanford and Lawrence National Laboratory in Berkeley (2016).

Title : Applications of Topological Data Analysis to Computer Vision.
EPSRC logo EPSRC first grant (£125K) with post-doctoral assistant Dr Alexey Chernov (2011 - 2013), which continued as Knowledge Transfer Secondments at Microsoft Research Cambridge in 2014-2016.
Title : Persistent Topological Structures in Noisy Images (ref. EP/I030328/1)
EC logo Marie Curie International Incoming Postdoctoral Fellowship (142K Euros).

University of Liverpool (UK), September 2005 - May 2007.

Title : Combinatorial Knot Theory.
Dijon logo Postdoctoral Fellowship (22K Euros).
December 2003 - November 2004.
University of Burgundy, Dijon (France).
Title : Combinatorial Group Theory.

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Group in Data Science theory and applications : two postdocs and many more PhD students

The photo below was taken in October 2019 : Cameron Hargreaves, Matt Bright, Vitaliy Kurlin, Georg Osang (visitor from IST Austria), Philip Smith, Cristian Badoi, Yury Elkin, Katerina Vriza, Miloslav Torda, Marco Mosca, Thomas Welsch.
 
TDA group photo February 2018

The group develops the new area of Geometric Data Science studying moduli spaces of data objects modulo practical equivalences. The key example is a finite or periodic set of unlabeled points modulo rigid motion or isometry. The major breakthroughs are the Crystal Isometry Principle for periodic structures and complete isometry invariants of unlabeled sets with continuous metrics computable in a polynomial time in the number of given points for a fixed dimension.

Viktor Zamaraev's photo Associate member Dr Viktor Zamaraev is a Lecturer in Computer Science since October 2019.

Viktor had postdoctoral positions at Durham and Warwick after earning a PhD in Theoretical Computer Science. With Viktor we supervise PhD student Jonathan Balasingham since October 2021.
Olga Anosova's photo Associate member Dr Olga Anosova is a research assistant in Applied Data Science since October 2020 in the department of Public Health, Policy and Systems at Liverpool. Olga completed a PhD in Dynamical Systems and worked as a teacher and lecturer at several universities.

Joint papers: DGMM 2022, CMMP 2022, DAMDID 2022, DGMM 2021, NumGrid 2020.
Philip Smith's photo

University teacher Dr Philip Smith in the department of Computer Science, Universlity of Liverpool.
In 2013-2017 Phil completed a 4-year Master of Mathematics degree at Durham, where we worked together on a summer project in Computer Vision funded by the London Mathematical Society.

In 2017-2021 Phil completed the PhD "Geometric and Topological Methods for Applications to Materials and Data Skeletonisation" under my supervision, then a postdoc funded by the NERC grant.
Joint papers: ISVC 2022, PR 2021, SoCG 2021, ISVC 2019.

Current 1st supervision : graduate students who I help as the first supervisor (ordered by their start date).

Thomas Welsch's photo PhD student Mr Thomas Welsch (since January 2019) is supervised by Dr Vitaliy Kurlin (60%) and Dr Patrick Totzke, funded by the school of EEE&CS as the support for the EPSRC grant EP/R018472/1.

Project : Programme synthesis and genetic programming.
Thomas has gained Computer Science degrees: BSc from Tennessee (US), then completed an excellent MSc thesis under my supervision in Liverpool on an image processing project important for Unilever.

Matthew Bright's photo PhD student Matthew Bright (since October 2018 including one year 2021-2022 as a university teacher) is supervised by Dr Vitaliy Kurlin (80%) and MIF director Prof Andy Cooper (20%)

Project : Geometry and topology for a continuous similarity between crystals.
Matt gained a PhD in molecular biology in 2000 followed by industry jobs and MSc in Mathematics.
Joint papers: CMMP 2022, NumGrid 2020, CaG 2020.

Daniel Widdowson's photo PhD student Mr Daniel Widdowson (since October 2020) is supervised by Dr Vitaliy Kurlin (70%) and Prof Andy Cooper (20%), and Dr Jason Cole (10%) funded by the network AI for Future Digital Health.

Project : A rigorous identification of all metastable polymorphs for better and safer drugs.
Daniel has obtained a BSc in Mathematics from Warwick University and also completed his MSc thesis in Liverpool under my supervision in summer 2020.
Jonathan McManus' photo PhD student Mr Jonathan (Teddy) McManus (since October 2020) is supervised by Dr Vitaliy Kurlin (60%), MIF director Prof Andy Cooper (30%), and Dr Jason Cole (10%), funded by the CCDC and the Leverhulme Research Centre at the Materials Innovation Factory.

Project : Towards prediction of synthetically accessible organic molecular crystals.
Jonathan has obtained a BSc in Mathematics from Durham University, gained industry experience in Data Science and completed a short project in Liverpool under my supervision in summer 2020.
Danny Ritchie's photo PhD student Mr Danny Ritchie (since October 2021) is funded by Chemistry and supervised by Dr Vitaliy Kurlin, Prof Matt Rosseinsky, Dr Matthew Dyer, Dr Mike Gaultois and Dr Vladimir Gusev.

Project : Machine learning, mathematical optimisation and algorithmic techniques for materials.

Danny has completed a 1st class degree in Physics at the University of Manchester, UK.

Jeffcott Will's photo PhD student Mr William Jeffcott (since November 2021) is funded by the CDT in Distributed Algorithms and supervised by Dr Vitaliy Kurlin, Dr Thomas McDonald and Dr Louise Connell.

Project : Data Science and Artificial Intelligence for smart sustainable plastic packaging.

Will has completed a 1st class Master of Mathematics degree at Durham, UK.

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Current 2nd supervision : graduate students who I help as the 2nd supervisor (ordered by their start date).

Krasen Samardzhiev's photo PhD student Mr Krasen Samardzhiev (since October 2017) is supervised by Dr Daniel Arribas-Bel, Dr Vitaliy Kurlin (40%) and Prof Alex Singleton, funded by the Data Analytics and Society CDT.

Project : A Topological Data Analysis of Big Spatio-Temporal Urban Data.

Krasen has completed a BSc degree in Computer Science at Liverpool, UK

Cameron Hargreaves' photo PhD student Mr Cameron Hargreaves (since October 2018) is supervised by Dr Matthew Dyer and Dr Vitaliy Kurlin (40%), funded by the SOLBAT project (a part the Industrial Strategy Challenge Fund).

Project : Data Science and Machine Learning for the Discovery of Solid Lithium Ion Conductors.

Cameron has completed BSc in Electrical Engineering and MSc in Computer Science at Liverpool.

Miloslav Torda's photo PhD student Mr Miloslav Torda (since October 2018) is supervised by Prof Yannis Goulermas (died suddenly in May 2022), Dr Vitaliy Kurlin (40%), Prof Graeme Day (20%), funded by the LRC in the MIF.

Project : Analysis of energy landscapes of molecular crystal structures employing combinatorial and topological methodologies.

Milo has gained two 5-year degrees in Psychology and Mathematics/Probability at Bratislava (Slovakia).

Sire _Zhang's photo PhD student Ms Siru Zhang (since January 2019) is supervised by Dr Vladimir Gusev and Dr Vitaliy Kurlin (40%). Siru was initially supervised by Prof Yannis Goulermas, who suddenly died in May 2022.

Project : Machine learning algorithms for histogram data: a study in radioisotope identification.

Siru obtained a BSc in Financial Mathematics from University of Liverpool and completed my MSc in Applied Mathematics from University of Manchester.

Muizdeen Raji's photo PhD student Mr Muizdeen Raji (since November 2019) is supervised by Prof Nagesh Kalakonda (50%), Dr Vitaliy Kurlin (30%), Prof Joseph Slupsky (20%), funded by the AI for Future Digital Health.

Project : Cellular diversity in health and disease using mass cytometry and computational approaches.

Muizdeen is originally from Nigeria, has a BSc in Chemistry and an MSc in Biomedical Sciences.

Jonathan Balasingham's photo PhD student Mr Jonathan Balasingham (since October 2021) is supervised by Dr Viktor Zamaraev, Dr Vitaliy Kurlin and Prof Andy Cooper.

Project : AI-based exploration of crystal spaces to accelerate drug discovery.

Jonathan has completed MSc in Scientific and Data-Intensive Computing (University College London), MSc in Industrial Engineering (San Jose State University) and BSc in Computer Science (University of California, Santa Cruz).

Adam Coxson's photo PhD student Mr Adam Coxson (since October 2021) is supervised by Prof Alessandro Troisi and Dr Vitaliy Kurlin.

Project : Developing Machine Learning algorithms with physical constraints for materials discovery.

Adam has completed a first class Master of Physics degree at the University of Manchester, UK.

Alessandro Gerada's photo PhD student Mr Alessandro Gerada (since October 2021) is supervised by Prof William Hope, Dr Vitaliy Kurlin and Prof Steve Patterson, funded by the doctoral network AI for Future Digital Health.

Project : Understanding bacterial resistance by machine learning from genetic data.
Alessandro has a medical degree from the University of Malta and several qualifications from the Royal Colleges of Pathologists and Physicians (UK).

Nandini Gadhia's photo PhD student Ms Nandini Gadhia (since December 2021) is supervised by Dr Anh Nguyen, Dr Vitaliy Kurlin and Dr Dominic Richards, funded by the doctoral network AI for Future Digital Health.

Project : Artificial Intelligence for accelerated drug discovery.
Nandini has MSc in Physics (UCL) and BSc in Maths and Physics (Warwick). She does a part-time PhD in parallel with her work at the STFC Hartree centre.

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Current 3rd supervision : graduate students who I help as the 3rd supervisor (ordered by their start date).

Shiyam Nathaniel' photo PhD student Mr Shiyamjith Nathaniel (since October 2018) is supervised by Prof Robert Page (50%), Dr Laura Harkness-Brennan (25%) and Dr Vitaliy Kurlin (25%), funded by the Big Data Science CDT.

Project : Machine learning and data analysis for gamma-ray detectors.

Shiyam has completed a BSc degree in Physics at Liverpool, UK.

Sam Carruthers' photo PhD student Mr Sam Carruthers (since October 2019) is supervised by the MIF director Prof Andy Cooper (80%), Dr David Marquez-Gamez (10%) and Dr Vitaliy Kurlin (10%).

Project : Mobile robot chemists for autonomous solar fuels research.

Sam has completed a 4-year degree in Chemistry at Liverpool, UK.

Michael Walker's photo PhD student Mr Michael Walker (since October 2019) is supervised by the MIF director Prof Andy Cooper, Dr David Marquez-Gamez, Dr Vitaliy Kurlin, Dr Yue Wu and Ellen Piercy (Unilever).

Project : Vision-based estimation of viscosity, bubble distributions and impurities of liquids.

Michael has completed a BSc degree in Physics.

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Join the group in Data Science theory and applications

If you know C++ or Python, and wish to join as an intern, PhD or postdoc, please read the post : how to join the group.

We are especially looking for postdoctoral candidates with excellent communication skills and external funding.

If you follow the advice, we'll support your application for a PhD studentship or a postdoctoral fellowship below.

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Education : PhD (2003), MSc×2 and PGCert

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Experience : CV and job history since 2000

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