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Model bias identification for Bayesian calibration of stochastic digital twins of bridges
No full textSimulation-based digital twins must provide accurate, robust and reliable digital representations of their physical counterparts. Quantifying the uncertainty in their predictions plays, therefore, a key role in making better-informed decisions that impact the actual system. The update of the simulation model based on data must be then carefully implemented. When applied to complex standing structures such as bridges, discrepancies between the computational model and the real system appear as model bias, which hinders the trustworthiness of the digital twin and increases its uncertainty. Classical Bayesian updating approaches aiming to infer the model parameters often fail at compensating for such model bias, leading to overconfident and unreliable predictions. In this paper, two alternative model bias identification approaches are evaluated in the context of their applicability to digital twins of bridges. A modularized version of Kennedy and O'Hagan's approach and another one based on Orthogonal Gaussian Processes are compared with the classical Bayesian inference framework in a set of representative benchmarks. Additionally, two novel extensions are proposed for such models: the inclusion of noise-aware kernels and the introduction of additional variables not present in the computational model through the bias term. The integration of such approaches in the digital twin corrects the predictions, quantifies their uncertainty, estimates noise from unknown physical sources of error and provides further insight into the system by including additional pre-existing information without modifying the computational model
Periodic Event Scheduling with Flexible Infrastructure Assignment
No full textWe present novel extensions of the Periodic Event Scheduling Problem (PESP) that integrate the assignment of activities to infrastructure elements. An application of this is railway timetabling, as station and platform capacities are limited and need to be taken into account. We show that an assignment of activities to platforms can always be made periodic, and that it can be beneficial to allow larger periods for the assignment than for the timetable. We present mixed-integer programming formulations for the general problem, as well as for the practically relevant case when multiple platforms can be considered equivalent, for which we present a bipartite matching approach. We finally test and compare these models on real-world instances
Sorting Criteria for Line-based Periodic Timetabling Heuristics
No full textIt is well-known that optimal solutions are notoriously hard to find for the Periodic Event Scheduling Problem (PESP), which is the standard mathematical formulation to optimize periodic timetables in public transport. We consider a class of incremental heuristics that have been demonstrated to be effective by Lindner and Liebchen (2023), however, for only one fixed sorting strategy of lines along which a solution is constructed. Thus, in this paper, we examine a variety of sortings based on the number, weight, weighted span, and lower bound of arcs, and test for each setting various combinations of the driving, dwelling, and transfer arcs of lines. Additionally, we assess the impact on the incremental extension of the event-activity network by minimizing resp. maximizing a connectivity measure between subsets of lines. We compare our 27 sortings on the railway instances of the benchmarking library PESPlib within the ConcurrentPESP solver framework. We are able to find five new incumbent solutions, resulting in improvements of up to 2%
Optimizing Aesthetic Appearance of Perovskite Solar Cells Using Color Filters
No full textThe significance of color aesthetics in photovoltaic (PV) modules gains importance, especially in design‐centric applications like building‐integrated PVs. Color filters based on distributed Bragg reflectors, consisting of alternating thin‐film layers of different refractive indices, can modify the appearance of standard silicon modules. This approach is also extended to optimize the color appearance of emerging PV technologies such as perovskite solar cells, which typically exhibit a less appealing gray–brownish appearance. In this contribution, perovskite solar‐cell stacks combined with MorphoColor color filters are presented. Angular‐resolved reflectance simulations based on wave optics and ray tracing with experimental data are validated, and the color appearance from various viewing angles is evaluated. Additionally, the impact of individual layers on color appearance and the maximum achievable short‐circuit current density in the perovskite solar cell is investigated. By applying Bayesian optimization, the color distance is minimized to the targeted appearance. Tailoring the bridging layers between the color filter and the perovskite solar cell is found to strongly influence the color impression due to the coherently combined color filter and perovskite solar cell. The presented color optimization concept allows to customize the aesthetics of emerging PV thin‐film technologies such as perovskite solar cells
A Visual Interface for Exploring Hypotheses about Neural Circuits
No full textOne of the fundamental problems in neurobiological research is to understand how neural circuits generate behaviors in response to sensory stimuli. Elucidating such neural circuits requires anatomical and functional information about the neurons that are active during the processing of the sensory information and generation of the respective response, as well as an identification of the connections between these neurons. With modern imaging techniques, both morphological properties of individual neurons as well as functional information related to sensory processing, information integration and behavior can be obtained. Given the resulting information, neurobiologists are faced with the task of identifying the anatomical structures down to individual neurons that are linked to the studied behavior and the processing of the respective sensory stimuli. Here, we present a novel interactive tool that assists neurobiologists in the aforementioned task by allowing them to extract hypothetical neural circuits constrained by anatomical and functional data. Our approach is based on two types of structural data: brain regions that are anatomically or functionally defined, and morphologies of individual neurons.
Both types of structural data are interlinked and augmented with additional information. The presented tool allows the expert user to identify neurons using Boolean queries. The interactive formulation of these queries is supported by linked views, using, among other things, two novel 2D abstractions of neural circuits.
The approach was validated in two case studies investigating the neural basis of vision-based behavioral responses in zebrafish larvae. Despite this particular application, we believe that the presented tool will be of general interest for exploring hypotheses about neural circuits in other species, genera and taxa
New Dynamic Programming Algorithm for the Multiobjective Minimum Spanning Tree Problem
No full textThe Multiobjective Minimum Spanning Tree (MO-MST) problem is a variant of the Minimum Spanning Tree problem, in which the costs associated with every edge of the input graph are vectors. In this paper, we design a new dynamic programming MO-MST algorithm. Dynamic programming for a MO-MST instance leads to the definition of an instance of the One-to-One Multiobjective Shortest Path (MOSP) problem and both instances have equivalent solution sets. The arising MOSP instance is defined on a so called transition graph. We study the original size of this graph in detail and reduce its size using cost dependent arc pruning criteria. To solve the MOSP instance on the reduced transition graph, we design the Implicit Graph Multiobjective Dijkstra Algorithm (IG-MDA), exploiting recent improvements on MOSP algorithms from the literature. All in all, the new IG-MDA outperforms the current state of the art on a big set of instances from the literature. Our code and results are publicly available
Critical assessment of G0W0 calculations for 2D materials: the example of monolayer MoS2
No full textInterval constraint programming for globally solving catalog-based categorical optimization
No full textIn this article, we propose an interval constraint programming method for globally solving catalog-based categorical optimization problems. It supports catalogs of arbitrary size and properties of arbitrary dimension, and does not require any modeling effort from the user. A novel catalog-based contractor (or filtering operator) guarantees consistency between the categorical properties and the existing catalog items. This results in an intuitive and generic approach that is exact, rigorous (robust to roundoff errors) and can be easily implemented in an off-the-shelf interval-based continuous solver that interleaves branching and constraint propagation. We demonstrate the validity of the approach on a numerical problem in which a categorical variable is described by a two-dimensional property space. A Julia prototype is available as open-source software under the MIT license
Cutting Plane Selection for Mixed-Integer Linear Programming
No full textMixed-Integer Linear Programming (MILP) is a ubiquitous and practical modelling paradigm that is essential for optimising a broad range of real-world systems. The backbone of all modern MILP solvers is the branch-and-cut algorithm, which is a hybrid of the branch-and-bound and cutting planes algorithms. Cutting planes (cuts) are linear inequalities that tighten the relaxation of a MILP. While a lot of research has gone into deriving valid cuts for MILPs, less emphasis has been put on determining which cuts to select. Cuts in general are generated in rounds, and a subset of the generated cuts must be added to the relaxation. The decision on which subset of cuts to add is called cut selection. This is a crucial task since adding too many cuts makes the relaxation large and slow to optimise over. Conversely, adding too few cuts results in an insufficiently tightened relaxation, and more relaxations need to be enumerated. To further emphasise the difficulty, the effectiveness of an applied cut is both dependent on the other applied cuts, and the state of the MILP solver. In this thesis, we present theoretical results on the importance and difficulty of cut selection, as well as practical results that use cut selection to improve general MILP solver performance. Improving general MILP solver performance is of great importance for practitioners and has many runoff effects. Reducing the solve time of currently solved systems can directly improve efficiency within the application area. In addition, improved performance enables larger systems to be modelled and optimised, and MILP to be used in areas where it was previously impractical due to time restrictions.
Each chapter of this thesis corresponds to a publication on cut selection, where the contributions of this thesis can naturally be divided into four components. The first two components are motivated by instance-dependent performance. In practice, for each subroutine, including cut selection, MILP solvers have adjustable parameters with hard-coded default values. It is ultimately unrealistic to expect these default values to perform well for every instance. Rather, it would be ideal if the parameters were dependent on the given instance. To show this motivation is well founded, we first introduce a family of parametric MILP instances and cuts to showcase worst-case performance of cut selection for any fixed parameter value. We then introduce a graph neural network architecture and reinforcement learning framework for learning instance-dependent cut scoring parameters. In the following component, we formalise language for determining if a cut has theoretical usefulness from a polyhedral point of view in relation to other cuts. In addition, to overcome issues of infeasible projections and dual degeneracy, we introduce analytic center based distance measures. We then construct a lightweight multi-output regression model that predicts relative solver performance of an instance for a set of distance measures. The final two components are motivated by general MILP solver improvement via cut selection. Such improvement was shown to be possible, albeit difficult to achieve, by the first half of this thesis. We relate branch-and-bound and cuts through their underlying disjunctions. Using a history of previously computed Gomory mixed-integer cuts, we reduce the solve time of SCIP over the 67% of affected MIPLIB 2017 instances by 4%. In the final component, we introduce new cut scoring measures and filtering methods based on information from other MILP solving processes. The new cut selection techniques reduce the solve time of SCIP over the 97% of affected MIPLIB 2017 instances by 5%
Corrections to “Lower Bounds on the Oracle Complexity of Nonsmooth Convex Optimization via Information Theory”
No full textThis note closes a gap in the proof of Theorem VI.3 from the article “Lower Bounds on the Oracle Complexity of Nonsmooth Convex Optimization via Information Theory” (2017)