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Researcher profile

Ruth Misener

Ruth Misener contributes to research discovery and scholarly infrastructure.

ResearcherAffiliation not importedOpen to collaborate
math.OCMachine LearningData Structures and AlgorithmsArtificial Intelligence

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Published work

7 published item(s)

preprint2026arXiv

Meta-learning for sample-efficient Bayesian optimisation of fed-batch processes

The optimisation of fed-batch (bio)chemical process recipes is subject to inherent, underlying, and unmeasurable fluctuations across batches, whose trajectories are difficult to model and costly to measure. Bayesian Optimisation (BayesOpt) is a powerful tool for sampling and optimisation of expensive-to-measure functions. Gaussian Processes (GPs), the surrogate models used in BayesOpt, are static, forecast poorly, and lack generalisation across experiments, limiting their applicability to time-varying batch processes with stochastic parameters, i.e., process fluctuations. This work investigates System-Aware Neural ODE Processes (SANODEP) as a meta-learning model to overcome the limitations of GPs and increase few-shot optimisation performance in BayesOpt. Using a penicillin batch production case study, we find that SANODEP outperforms GP-based BayesOpt in the low-data regime, resulting in improved objectives when few experimental runs are performed. These improvements are observed in both on- and off-distribution batches, highlighting the generalisation capabilities of SANODEP. Using this approach, batch process operators can accelerate the initial optimisation steps in BayesOpt by deploying meta-learning or optimise the process with fewer experiments when the experimental cost is high.

0 citations0 reviewsNo code linkedOpen access
preprint2023arXiv

SnAKe: Bayesian Optimization with Pathwise Exploration

Bayesian Optimization is a very effective tool for optimizing expensive black-box functions. Inspired by applications developing and characterizing reaction chemistry using droplet microfluidic reactors, we consider a novel setting where the expense of evaluating the function can increase significantly when making large input changes between iterations. We further assume we are working asynchronously, meaning we have to select new queries before evaluating previous experiments. This paper investigates the problem and introduces 'Sequential Bayesian Optimization via Adaptive Connecting Samples' (SnAKe), which provides a solution by considering large batches of queries and preemptively building optimization paths that minimize input costs. We investigate some convergence properties and empirically show that the algorithm is able to achieve regret similar to classical Bayesian Optimization algorithms in both synchronous and asynchronous settings, while reducing input costs significantly. We show the method is robust to the choice of its single hyper-parameter and provide a parameter-free alternative.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Tree ensemble kernels for Bayesian optimization with known constraints over mixed-feature spaces

Tree ensembles can be well-suited for black-box optimization tasks such as algorithm tuning and neural architecture search, as they achieve good predictive performance with little or no manual tuning, naturally handle discrete feature spaces, and are relatively insensitive to outliers in the training data. Two well-known challenges in using tree ensembles for black-box optimization are (i) effectively quantifying model uncertainty for exploration and (ii) optimizing over the piece-wise constant acquisition function. To address both points simultaneously, we propose using the kernel interpretation of tree ensembles as a Gaussian Process prior to obtain model variance estimates, and we develop a compatible optimization formulation for the acquisition function. The latter further allows us to seamlessly integrate known constraints to improve sampling efficiency by considering domain-knowledge in engineering settings and modeling search space symmetries, e.g., hierarchical relationships in neural architecture search. Our framework performs as well as state-of-the-art methods for unconstrained black-box optimization over continuous/discrete features and outperforms competing methods for problems combining mixed-variable feature spaces and known input constraints.

0 citations0 reviewsNo code linkedOpen access
preprint2021arXiv

Approximate and Robust Bounded Job Start Scheduling for Royal Mail Delivery Offices

Motivated by mail delivery scheduling problems arising in Royal Mail, we study a generalization of the fundamental makespan scheduling P||Cmax problem which we call the bounded job start scheduling problem. Given a set of jobs, each specified by an integer processing time p_j, that have to be executed non-preemptively by a set of m parallel identical machines, the objective is to compute a minimum makespan schedule subject to an upper bound g<=m on the number of jobs that may simultaneously begin per unit of time. With perfect input knowledge, we show that Longest Processing Time First (LPT) algorithm is tightly 2-approximate. After proving that the problem is strongly NP-hard even when g=1, we elaborate on improving the 2-approximation ratio for this case. We distinguish the classes of long and short instances satisfying p_j>=m and p_j<m, respectively, for each job j. We show that LPT is 5/3-approximate for the former and optimal for the latter. Then, we explore scheduling long jobs in parallel with short jobs to obtain tightly satisfied packing and bounded job start constraints. For a broad family of instances excluding degenerate instances with many very long jobs, we derive a 1.985-approximation ratio. For general instances, we require machine augmentation to obtain better than 2-approximate schedules. Under uncertain job processing times, we exploit machine augmentation and lexicographic optimization to propose a two-stage robust optimization approach for bounded job start scheduling under uncertainty aiming in a low number of used machines. Given a collection of schedules of makespan <= D, this approach allows distinguishing which are the more robust. We substantiate both the heuristics and our recovery approach numerically using Royal Mail data. We show that, for the Royal Mail application, machine augmentation, i.e. short-term van rental, is especially relevant.

0 citations0 reviewsNo code linkedOpen access
preprint2021arXiv

Between steps: Intermediate relaxations between big-M and convex hull formulations

This work develops a class of relaxations in between the big-M and convex hull formulations of disjunctions, drawing advantages from both. The proposed &#34;P-split&#34; formulations split convex additively separable constraints into P partitions and form the convex hull of the partitioned disjuncts. Parameter P represents the trade-off of model size vs. relaxation strength. We examine the novel formulations and prove that, under certain assumptions, the relaxations form a hierarchy starting from a big-M equivalent and converging to the convex hull. We computationally compare the proposed formulations to big-M and convex hull formulations on a test set including: K-means clustering, P_ball problems, and ReLU neural networks. The computational results show that the intermediate P-split formulations can form strong outer approximations of the convex hull with fewer variables and constraints than the extended convex hull formulations, giving significant computational advantages over both the big-M and convex hull.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

A robust approach to warped Gaussian process-constrained optimization

Optimization problems with uncertain black-box constraints, modeled by warped Gaussian processes, have recently been considered in the Bayesian optimization setting. This work introduces a new class of constraints in which the same black-box function occurs multiple times evaluated at different domain points. Such constraints are important in applications where, e.g., safety-critical measures are aggregated over multiple time periods. Our approach, which uses robust optimization, reformulates these uncertain constraints into deterministic constraints guaranteed to be satisfied with a specified probability, i.e., deterministic approximations to a chance constraint. This approach extends robust optimization methods from parametric uncertainty to uncertain functions modeled by warped Gaussian processes. We analyze convexity conditions and propose a custom global optimization strategy for non-convex cases. A case study derived from production planning and an industrially relevant example from oil well drilling show that the approach effectively mitigates uncertainty in the learned curves. For the drill scheduling example, we develop a custom strategy for globally optimizing integer decisions.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Exact Lexicographic Scheduling and Approximate Rescheduling

In industrial resource allocation problems, an initial planning stage may solve a nominal problem instance and a subsequent recovery stage may intervene to repair inefficiencies and infeasibilities due to uncertainty, e.g.\ machine failures and job processing time variations. In this context, we investigate the minimum makespan scheduling problem, a.k.a.\ $P||C_{\max}$, under uncertainty. We propose a two-stage robust scheduling approach where first-stage decisions are computed with exact lexicographic scheduling and second-stage decisions are derived using approximate rescheduling. We explore recovery strategies accounting for planning decisions and constrained by limited permitted deviations from the original schedule. Our approach is substantiated analytically, with a price of robustness characterization parameterized by the degree of uncertainty, and numerically. This analysis is based on optimal substructure imposed by lexicographic optimality. Thus, lexicographic optimization enables more efficient rescheduling. Further, we revisit state-of-the-art exact lexicographic optimization methods and propose a lexicographic branch-and-bound algorithm whose performance is validated computationally.

0 citations0 reviewsNo code linkedOpen access