From Data to Action: Accelerating Refinery Optimization with AI

Nowadays refinery optimization utilizes sheer amounts of data, which can be handled with modern Linear Programming (LP) software, but the interpreting and applying the results remains challenging. Large petrochemical companies use massive models, with hundreds of thousands of input matrix elements. The LP solution is mathematically correct, but simplifications are made in the model, and data supply errors may occur. Therefore, further insight is needed to trust the results. The LP solver does not have a memory, so additional understanding could be gained by analyzing historical data and comparing it to the current plan. As such, machine learning approaches were suggested to support decision making based on the LP solution. Among these, Anomaly Detection tools are proposed to be used in tandem with the LP output. A transformed version of the popular ECOD methodology is applied. New methods are proposed to handle high-dimensional data: choosing the most informative pairs. Then, this is used alongside two 2D Anomaly Detection algorithms, revealing several business opportunities and data supply errors in the MOL refinery scheduling and planning architecture.

Trunc-Opt vine building algorithms

Vine copula models have become highly popular and practical tools for modelling multivariate probability distributions due to their flexibility in modelling different kinds of dependences between the random variables involved. However, their flexibility comes with the drawback of a high-dimensional parameter space. To tackle this problem, truncated vine copulas were introduced by Kurowicka (2010) (Gaussian case) and Brechmann and Czado (2013) (general case). Truncated vine copulas contain conditionally independent pair copulas after the truncation level. So far, in the general case, truncated vine constructing algorithms started from the lowest tree in order to encode the largest dependences in the lower trees. The novelty of this paper starts from the observation that a truncated vine is determined by the first tree after the truncation level (see Kovács and Szántai (2017)). This paper introduces a new score for fitting truncated vines to given data, called the Weight of the truncated vine. Then we propose a completely new methodology for constructing truncated vines. We prove theorems which motivate this new approach. While earlier algorithms did not use conditional independences, we give algorithms for constructing and encoding truncated vines which do exploit them. Finally, we illustrate the algorithms on real datasets and compare the results with well-known methods included in R packages. Our method generally compare favorably to previously known methods.

Generalized Naive Bayes

In this paper we introduce the so-called Generalized Naive Bayes structure as an extension of the Naive Bayes structure. We give a new greedy algorithm that finds a good fitting Generalized Naive Bayes (GNB) probability distribution. We prove that this fits the data at least as well as the probability distribution determined by the classical Naive Bayes (NB). Then, under a not very restrictive condition, we give a second algorithm for which we can prove that it finds the optimal GNB probability distribution, i.e. best fitting structure in the sense of KL divergence. Both algorithms are constructed to maximize the information content and aim to minimize redundancy. Based on these algorithms, new methods for feature selection are introduced. We discuss the similarities and differences to other related algorithms in terms of structure, methodology, and complexity. Experimental results show, that the algorithms introduced outperform the related algorithms in many cases.

Matrix and graph representations of vine copula structures

Vine copulas can efficiently model a large portion of probability distributions. This paper focuses on a more thorough understanding of their structures. We are building on well-known existing constructions to represent vine copulas with graphs as well as matrices. The graph representations include the regular, cherry and chordal graph sequence structures, which we show equivalence between. Importantly we also show that when a perfect elimination ordering of a vine structure is given, then it can always be uniquely represented with a matrix. O. M. N\'apoles has shown a way to represent them in a matrix, and we algorithmify this previous approach, while also showing a new method for constructing such a matrix, through cherry tree sequences. Lastly, we prove that these two matrix-building algorithms are equivalent if the same perfect elimination ordering is being used.