Parallelising Mixed-Integer Optimisation: Energy Efficiency Applications

Lead Research Organisation: Imperial College London
Department Name: Computing

Abstract

Mathematical models for optimal decisions often require both nonlinear and discrete components. These mixed-integer nonlinear programs (MINLP) form an important class of optimisation problems of pressing societal need. For example, MINLP is necessary for optimising the energy use of large industrial plants, for integrating renewable sources into energy networks, for biological and biomedical design, and for countless other applications. The first MINLP algorithms and software were designed by application engineers. While these efforts initially proved very useful, scientists, engineers, and practitioners have realised that a transformational shift in technology will be required for MINLP to achieve its full potential.

As an example of the importance of MINLP, consider that many industrial processes involve heating and cooling liquids. With the present day focus on reducing CO2 emissions, e.g. the UK Climate Change Act 2008, reusing excess process heat becomes ever more important and a major challenge is increasing industrial plant efficiency via heat integration. Heat exchanger network (HEN) synthesis is most naturally formulated as a mixed-integer nonlinear optimisation problem (MINLP). Using an optimisation framework can result in tremendous energy and cost savings. In 2009, the South Korean refining company S-Oil estimated £28M annual savings at a single plant using a commercial optimisation package, AspenTech Energy Analyzer. But these are not the only gains available. Heat exchanger network synthesis is a nonconvex nonlinear optimisation problem with many local optima; we estimate additional possible savings on the order of 10% via developing better optimisation algorithms.

Deterministic global optimisation of mixed integer nonlinear programs (MINLP) may effectively design energy efficient networks, but current MINLP technology for this problem class is limited by nonconvex nonlinear heat transfer functions and the many isomorphic possibilities of routing streams to heat exchangers. Parallelisation is attractive, but the naïve design of current parallelisation strategies is also inappropriate because effective tree exploration requires extensive inter-node communication. This proposal aims to develop novel internode communication strategies for MINLP branch-and-cut algorithms with a target of effectively addressing industrially-relevant energy efficiency optimisation problems.

This proposal is highly relevant to the 680k people working in the UK energy sector. This proposal falls under the EPSRC Engineering and Manufacturing the Future themes; MINLP is highly relevant to industrial design problems. The two related sub-themes are Sustainable Industrial Systems with a related research area of Energy Efficiency (EPSRC Research Action: Grow) and also Manufacturing Informatics with a related research area of Mathematical Aspects of Operational Research (EPSRC Research Action: Maintain). This proposal is also tightly linked to the EPSRC Working Together priority; the team includes the PI, the PDRA, a mathematician, a software company, and a consortium of process engineers. Since moving to the UK in 2012, the PI has attracted international attention for her MINLP contributions as evidenced by her 2 paper awards in 2013 and 2014; this EPSRC First Grant will establish her as researcher with a reliable track record of linking optimisation theory and practice.

Planned Impact

Dissemination and Exploitation

This grant has two project partners: GAMS Software GmbH and the Centre for Process Systems Engineering.

GAMS Software GmbH (gams.com) develops algebraic modelling software for optimisation problems; their product consists of a language compiler with many integrated state-of-the-art optimisation solvers. Ruth collaborated with GAMS to release both GloMIQO and ANTIGONE; the GAMS software engineers have 25 years experience working with optimisation practitioners and they understand how users interact with mathematical algorithms.

Impact Activities for this First Grant: As detailed in their letter of support, GAMS will work with us (primarily remotely) to translate the outputs of this grant into publicly available software. We will also meet for a concentrated half-day at one of the major conferences to make sure that the integration is smooth.

The Centre for Process Systems Engineering (CPSE) is a consortium with research interests spanning process modelling, design, operation and control, and numerical optimisation methods. This project partner will help translate the work in the First Grant into com-on practise by giving us the opportunity to communicate our work with the relevant industrial contacts. CPSE will also provide £500 in extra funding to complement the grant.

Public Outreach

The PI has already organised 2 successful booths at Imperial Festival; both were in conjunction with her Royal Academy of Engineering Research Fellowship. For First Grant, the PI and the PDRA will organise a booth centred around energy efficiency and highlight the work in this grant. A demo-version of software to optimally design a bioreactor was popular at the 2015 Imperial Festival:

https://twitter.com/RuthMisener/status/597120123032469505;

we will similarly design an iPad or iPhone app demonstrating optimal energy efficiency.

Publications

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Baltean-Lugojan R (2018) Piecewise parametric structure in the pooling problem: from sparse strongly-polynomial solutions to NP-hardness. in Journal of global optimization : an international journal dealing with theoretical and computational aspects of seeking global optima and their applications in science, management and engineering

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Mistry M (2018) Satisfiability modulo theories for process systems engineering in Computers & Chemical Engineering

 
Description We discovered that we can solve (or at least rigorously approximate) several important classes of energy efficiency problems quickly. In particular, we considered the applications of (i) designing effective heat recovery networks and (ii) blending and intermediate storage in petrochemical processes. For the heat recovery network design, we are able to rigorously address larger problems than ever before. We can prove mathematically that the good heuristic solutions we develop are very close to the true optimal solution. We demonstrate the utility of parallelisation by showing that running many heuristics on different cores produces the best outcome. We have made all of our code freely-available via our GitHub webpage. We have also made all of the literature test instances public and freely-available for the first time. For the blending and intermediate storage problems, we show that we are able to address larger problems in polynomial time than anyone had previously thought possible. We also proved important mathematical structural characteristics and rigorously showed that the nonlinear optimisation problem actually has a hidden, piecewise-linear structure. We made all code freely-available on GitHub.
Exploitation Route Already the process systems engineering community is considering to incorporate our new heuristics with performance guarantees into industrial systems. We will continue to encourage interest in our research, e.g. via the keynote that Dr Ruth Misener gave at the 2018 European Symposium for Computer-Aided Process Engineering (https://www.tugraz.at/events/escape28/scientific-program/keynote-speakers/). In this keynote, Dr Misener presented the EPSRC First Grant results to the process systems engineering community. We also followed up this keynote with an invited journal paper on Approximation Algorithms for Process Systems Engineering (https://www.sciencedirect.com/science/article/pii/S0098135419306969). The computer science community is also keenly interested in our results because our work offers new avenues of algorithmic study for important applications. We have offered the computer science community a useful path into energy efficiency applications by making all case studies freely-available online. Sometimes computer science researchers want to make a contribution to a field like energy efficiency, but it's difficult to read and understand all of the applications papers. So we've made it possible to contribute to energy efficiency with solely a background in computer science or mathematical optimisation.
Sectors Chemicals

Digital/Communication/Information Technologies (including Software)

Manufacturing

including Industrial Biotechology

URL http://wp.doc.ic.ac.uk/rmisener/grant/parallelising-mixed-integer-optimisation-energy-efficiency-applications/
 
Description Our findings are used in academic publications (via citations), in open-source software (via our popular codes on GitHub), and in software (via the industrial collaborations we maintained throughout the grant).
First Year Of Impact 2015
Sector Chemicals,Digital/Communication/Information Technologies (including Software)
Impact Types Economic

 
Description BASF Research Project
Amount € 50,000 (EUR)
Organisation BASF 
Sector Private
Country Germany
Start 04/2017 
End 08/2017
 
Description Early Career Fellowship in Software development for novel engineering research
Amount £984,063 (GBP)
Funding ID EP/P016871/1 
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 08/2017 
End 08/2022
 
Description Grand Challenges Research Fund
Amount £1,515,900 (GBP)
Funding ID EP/P029558/1 
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 04/2017 
End 04/2020
 
Description Industrial CASE studentship with Schlumberger
Amount £27,000 (GBP)
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 09/2017 
End 09/2020
 
Title Test set for the minimum number of matches problem 
Description Heat exchanger network synthesis is a critically important engineering problem improving energy recovery in chemical processes. The minimum number of matches problem is a difficult optimisation problem and a bottleneck for designing good heat recovery networks. Many authors have discussed this optimisation problem over the years, but we have collected and made publicly available this test set for the first time. Now researchers will have access to all 51 problems in the open literature. 
Type Of Material Database/Collection of data 
Year Produced 2017 
Provided To Others? Yes  
Impact We are enabling follow-on research because many of these test instances had been described in an academic paper but never made easily-accessible. By providing researchers both with (i) the complete set of test problems in the open literature and (ii) our methods for finding feasible solutions, we make it possible for future research in this area to more properly metric use itself. 
URL https://github.com/cog-imperial/min_matches_heuristics/tree/master/data/original_instances
 
Description Collaboration with IBM CPLEX team 
Organisation IBM
Country United States 
Sector Private 
PI Contribution Based on early results that research associate Radu Baltean-Lugojan was achieving on this project, IBM decided to fund Radu with a competitive fellowship schemes. IBM has been keenly interested in the outcomes of this research, so they decided to fund a follow-on project more directly relevant to their commercial interests. My research team developed new methods for quadratic optimisation using the IBM funding in collaboration with the CPLEX solver development team.
Collaborator Contribution The IBM CPLEX solver software development team met with us regurally on Skype and in person to discuss the practical consequences of the algorithms we were trying. They offered us technical support and collaborated with us in making a presentation that we have shared at major conferences. We have submitted a journal paper (preprint: http://www.optimization-online.org/DB_HTML/2018/11/6943.html) in collaboration with IBM and are considering the commercial implications for integrating our work into their products.
Impact We have given several presentations, submitted a full-length paper to a mathematical optimisation journal, and published a preprint of our work (http://www.optimization-online.org/DB_HTML/2018/11/6943.html). Multi-disciplinary aspects: This project involves both mathematical optimisers and software engineers.
Start Year 2017
 
Title Heuristics with Performance Guarantees for the Minimum Number of Matches Problem in Heat Recovery Network Design 
Description This is an implementation of our paper (10.1016/j.compchemeng.2018.03.002, Computers & Chemical Engineering). Heat exchanger network synthesis exploits excess heat by integrating process hot and cold streams and improves energy efficiency by reducing utility usage. Determining provably good solutions to the minimum number of matches is a bottleneck of designing a heat recovery network using the sequential method. This software develops heuristic methods with performance guarantees using three approaches: (i) relaxation rounding, (ii) water filling, and (iii) greedy packing. Also available in this Github repository are numerical results from a collection of 51 instances substantiate the strength of the methods. 
Type Of Technology Software 
Year Produced 2017 
Open Source License? Yes  
Impact Other researchers have tested our methods. 
URL https://github.com/cog-imperial/min_matches_heuristics
 
Title Piecewise Parametric Structure in the Pooling Problem 
Description The standard pooling problem is a NP-hard subclass of non-convex quadratically-constrained optimization problems that commonly arises in energy efficiency applications. This software solves the pooling problem using a piecewise-linear approach. 
Type Of Technology Software 
Year Produced 2017 
Open Source License? Yes  
Impact We received interest from the engineering community. 
URL https://github.com/cog-imperial/StdPooling-PolyAlgos
 
Description CPSE Annual Industrial Consortium Meeting 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Professional Practitioners
Results and Impact My team presented their research in the Centre for Process Systems Engineering Annual Industrial Consortium meeting. There, we received feedback on our work and requests for further collaborations. I had a special presentation in 2020 on "Artificial intelligence approaches towards hybridizing analytical & data-driven decision-making" that led to follow-on discussions from industrial partners about possibly funding EPSRC CDT PhD students.

My team won both 1st and 3rd poster prize in the 2019 student competition.
Year(s) Of Engagement Activity 2017,2018,2019
 
Description Interview for a film about the Royal Academy of Engineering 
Form Of Engagement Activity A broadcast e.g. TV/radio/film/podcast (other than news/press)
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Public/other audiences
Results and Impact I appeared in a Royal Academy of Engineering video discussing my research.
Year(s) Of Engagement Activity 2017
URL https://www.youtube.com/watch?v=2gYp1nm6D3M
 
Description Keynote at the 2018 European Symposium for Computer-Aided Process Engineering 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Professional Practitioners
Results and Impact I will be giving a keynote at the 2018 European Symposium for Computer-Aided Process Engineering. This is my user community, i.e., the community of engineers who would be best suited to take the contributions to mathematical optimisation and computer science that my team has made and translate them widely into practice. I will be using the keynote (in June 2018) to discuss the outcomes of two EPSRC grants. I already know that the community is keenly interested in our research, but I hope to really fan the flames and get everyone on board with trying our new mathematical approaches.
Year(s) Of Engagement Activity 2018
URL https://www.tugraz.at/events/escape28/scientific-program/keynote-speakers/
 
Description Seminar at Carnegie Mellon 
Form Of Engagement Activity A talk or presentation
Part Of Official Scheme? No
Geographic Reach International
Primary Audience Postgraduate students
Results and Impact 80 postgraduate students and their supervisors attended a seminar given by Ruth Misener, which led to discussions on the topic and interest in future research
Year(s) Of Engagement Activity 2019
URL https://twitter.com/crislopeslara/status/1102990243752542208
 
Description Speed mentoring for AnitaB.org at the Twitter London office 
Form Of Engagement Activity A formal working group, expert panel or dialogue
Part Of Official Scheme? No
Geographic Reach Local
Primary Audience Postgraduate students
Results and Impact I will be attending a speed mentoring event for AnitaB.org on Thursday, 15 March at the Twitter London office. This mentorship activity for young women in the computer science community to get mentorship from more senior members such as myself.
Year(s) Of Engagement Activity 2018
URL https://community.anitab.org/event/meet-your-local-mentors/