Global optimisation of large-scale quadratic programs: application to short-term planning of industrial refinery-petrochemical complexes

This thesis is driven by an industrial problem arising in the short-term planning of an integrated refinery-petrochemical complex (IRPC) in Colombia. The IRPC of interest is composed of 60 industrial plants and a tank farm for crude mixing and fuel blending consisting of 30 additional units. It considers both domestic and imported crude oil supply, as well as refined product imports such as low sulphur diesel and alkylate. This gives rise to a large-scale mixed-integer quadratically constrained quadratic program (MIQCQP) comprising about 7,000 equality constraints with over 35,000 bilinear terms and 280 binary variables describing operating modes for the process units. Four realistic planning scenarios are recreated to study the performance of the algorithms developed through the thesis and compare them to commercial solvers. Local solvers such as SBB and DICOPT cannot reliably solve such large-scale MIQCQPs. Usually, it is challenging to even reach a feasible solution with these solvers, and a heuristic procedure is required to initialize the search. On the other hand, global solvers such as ANTIGONE and BARON determine a feasible solution for all the scenarios analysed, but they are unable to close the relaxation gap to less than 40% on average after 10h of CPU runtime. Overall, this industrial-size problem is thus intractable to global optimality in a monolithic way. The first main contribution of the thesis is a deterministic global optimisation algorithm based on cluster decomposition (CL) that divides the network into groups of process units according to their functionality. The algorithm runs through the sequences of clusters and proceeds by alternating between: (i) the (global) solution of a mixed-integer linear program (MILP), obtained by relaxing the bilinear terms based on their piecewise McCormick envelopes and a dynamic partition of their variable ranges, in order to determine an upper bound on the maximal profit; and (ii) the local solution of a quadratically-constrained quadratic program (QCQP), after fixing the binary variables and initializing the continuous variables to the relaxed MILP solution point, in order to determine a feasible solution (lower bound on the maximal profit). Applied to the base case scenario, the CL approach reaches a best solution of 2.964 MMUSD/day and a relaxation gap of 7.5%, a remarkable result for such challenging MIQCQP problem. The CL approach also vastly outperforms both ANTIGONE (2.634 MMUSD/day, 32% optimality gap) and BARON (2.687 MMUSD/day, 40% optimality gap). The second main contribution is a spatial Lagrangean decomposition, which entails decomposing the IRPC short-term planning problem into a collection of smaller subproblems that can be solved independently to determine an upper bound on the maximal profit. One advantage of this strategy is that each sub-problem can be solved to global optimality, potentially providing good initial points for the monolithic problem itself. It furthermore creates a virtual market for trading crude blends and intermediate refined–petrochemical streams and seeks an optimal trade-off in such a market, with the Lagrange multipliers acting as transfer prices. A decomposition over two to four is considered, which matches the crude management, refinery, petrochemical operations, and fuel blending sections of the IRPC. An optimality gap below 4% is achieved in all four scenarios considered, which is a significant improvement over the cluster decomposition algorithm.Open Acces

Bilevel optimisation with embedded neural networks: Application to scheduling and control integration

Scheduling problems requires to explicitly account for control considerations in their optimisation. The literature proposes two traditional ways to solve this integrated problem: hierarchical and monolithic. The monolithic approach ignores the control level's objective and incorporates it as a constraint into the upper level at the cost of suboptimality. The hierarchical approach requires solving a mathematically complex bilevel problem with the scheduling acting as the leader and control as the follower. The linking variables between both levels belong to a small subset of scheduling and control decision variables. For this subset of variables, data-driven surrogate models have been used to learn follower responses to different leader decisions. In this work, we propose to use ReLU neural networks for the control level. Consequently, the bilevel problem is collapsed into a single-level MILP that is still able to account for the control level's objective. This single-level MILP reformulation is compared with the monolithic approach and benchmarked against embedding a nonlinear expression of the neural networks into the optimisation. Moreover, a neural network is used to predict control level feasibility. The case studies involve batch reactor and sequential batch process scheduling problems. The proposed methodology finds optimal solutions while largely outperforming both approaches in terms of computational time. Additionally, due to well-developed MILP solvers, adding ReLU neural networks in a MILP form marginally impacts the computational time. The solution's error due to prediction accuracy is correlated with the neural network training error. Overall, we expose how - by using an existing big-M reformulation and being careful about integrating machine learning and optimisation pipelines - we can more efficiently solve the bilevel scheduling-control problem with high accuracy.Comment: 18 page

Alive Caricature from 2D to 3D

Caricature is an art form that expresses subjects in abstract, simple and exaggerated view. While many caricatures are 2D images, this paper presents an algorithm for creating expressive 3D caricatures from 2D caricature images with a minimum of user interaction. The key idea of our approach is to introduce an intrinsic deformation representation that has a capacity of extrapolation enabling us to create a deformation space from standard face dataset, which maintains face constraints and meanwhile is sufficiently large for producing exaggerated face models. Built upon the proposed deformation representation, an optimization model is formulated to find the 3D caricature that captures the style of the 2D caricature image automatically. The experiments show that our approach has better capability in expressing caricatures than those fitting approaches directly using classical parametric face models such as 3DMM and FaceWareHouse. Moreover, our approach is based on standard face datasets and avoids constructing complicated 3D caricature training set, which provides great flexibility in real applications.Comment: Accepted to CVPR 201

The diffuse Nitsche method: Dirichlet constraints on phase-field boundaries

We explore diffuse formulations of Nitsche's method for consistently imposing Dirichlet boundary conditions on phase-field approximations of sharp domains. Leveraging the properties of the phase-field gradient, we derive the variational formulation of the diffuse Nitsche method by transferring all integrals associated with the Dirichlet boundary from a geometrically sharp surface format in the standard Nitsche method to a geometrically diffuse volumetric format. We also derive conditions for the stability of the discrete system and formulate a diffuse local eigenvalue problem, from which the stabilization parameter can be estimated automatically in each element. We advertise metastable phase-field solutions of the Allen-Cahn problem for transferring complex imaging data into diffuse geometric models. In particular, we discuss the use of mixed meshes, that is, an adaptively refined mesh for the phase-field in the diffuse boundary region and a uniform mesh for the representation of the physics-based solution fields. We illustrate accuracy and convergence properties of the diffuse Nitsche method and demonstrate its advantages over diffuse penalty-type methods. In the context of imaging based analysis, we show that the diffuse Nitsche method achieves the same accuracy as the standard Nitsche method with sharp surfaces, if the inherent length scales, i.e., the interface width of the phase-field, the voxel spacing and the mesh size, are properly related. We demonstrate the flexibility of the new method by analyzing stresses in a human vertebral body

An Example of Clifford Algebras Calculations with GiNaC

This example of Clifford algebras calculations uses GiNaC (http://www.ginac.de/) library, which includes a support for generic Clifford algebra starting from version~1.3.0. Both symbolic and numeric calculation are possible and can be blended with other functions of GiNaC. This calculations was made for the paper math.CV/0410399. Described features of GiNaC are already available at PyGiNaC (http://sourceforge.net/projects/pyginac/) and due to course should propagate into other software like GNU Octave (http://www.octave.org/), gTybalt (http://www.fis.unipr.it/~stefanw/gtybalt.html), which use GiNaC library as their back-end.Comment: 20 pages, LaTeX2e, 12 PS graphics in one figure; v3 code improvements; v4 small code correction for new libraries; v5 comments are redesined to be more readabl

Low-rank multi-parametric covariance identification

We propose a differential geometric construction for families of low-rank covariance matrices, via interpolation on low-rank matrix manifolds. In contrast with standard parametric covariance classes, these families offer significant flexibility for problem-specific tailoring via the choice of "anchor" matrices for the interpolation. Moreover, their low-rank facilitates computational tractability in high dimensions and with limited data. We employ these covariance families for both interpolation and identification, where the latter problem comprises selecting the most representative member of the covariance family given a data set. In this setting, standard procedures such as maximum likelihood estimation are nontrivial because the covariance family is rank-deficient; we resolve this issue by casting the identification problem as distance minimization. We demonstrate the power of these differential geometric families for interpolation and identification in a practical application: wind field covariance approximation for unmanned aerial vehicle navigation