Related papers: Adaptive Chemical Reaction Optimization for Global…

Optimization techniques are frequently applied in science and engineering research and development. Evolutionary algorithms, as a kind of general-purpose metaheuristic, have been shown to be very effective in solving a wide range of…

Chemical Reaction Optimization (CRO) is a powerful metaheuristic which mimics the interactions of molecules in chemical reactions to search for the global optimum. The perturbation function greatly influences the performance of CRO on…

The set covering problem (SCP) is one of the representative combinatorial optimization problems, having many practical applications. This paper investigates the development of an algorithm to solve SCP by employing chemical reaction…

Evolutionary algorithms (EAs) are very popular tools to design and evolve artificial neural networks (ANNs), especially to train them. These methods have advantages over the conventional backpropagation (BP) method because of their low…

The field of Contextual Optimization (CO) integrates machine learning and optimization to solve decision making problems under uncertainty. Recently, a risk sensitive variant of CO, known as Conditional Robust Optimization (CRO), combines…

Across many disciplines, chemical reaction networks (CRNs) are an established population model defined as a system of coupled nonlinear ordinary differential equations. In many applications, for example, in systems biology and epidemiology,…

Presented in this paper is a derivation of a 2D catalytic reaction-based model to solve combinatorial optimization problems (COPs). The simulated catalytic reactions, a computational metaphor, occurs in an artificial chemical reactor that…

We study conditional risk minimization (CRM), i.e. the problem of learning a hypothesis of minimal risk for prediction at the next step of sequentially arriving dependent data. Despite it being a fundamental problem, successful learning in…

General parameters are highly desirable in the natural sciences - e.g., chemical reaction conditions that enable high yields across a range of related transformations. This has a significant practical impact since those general parameters…

Solving chemistry is an integral part of reacting flow simulations, usually dominating the computational cost. Among the different strategies to accelerate the solution of chemistry and to achieve realizable simulations, the use of Dynamic…

Adapting large language models (LLMs) trained on broad organic chemistry to smaller, domain-specific reaction datasets is a key challenge in chemical and pharmaceutical R&D. Effective specialisation requires learning new reaction knowledge…

We consider how to generate chemical reaction networks (CRNs) from functional specifications. We propose a two-stage approach that combines synthesis by satisfiability modulo theories and Markov chain Monte Carlo based optimisation. First,…

This paper proposes a novel Adaptive Clustering-based Reduced-Order Modeling (ACROM) framework to significantly improve and extend the recent family of clustering-based reduced-order models (CROMs). This adaptive framework enables the…

Large-scale problems are nonlinear problems that need metaheuristics, or global optimization algorithms. This paper reviews nature-inspired metaheuristics, then it introduces a framework named Competitive Ant Colony Optimization inspired by…

In decision-making under uncertainty, Contextual Robust Optimization (CRO) provides reliability by minimizing the worst-case decision loss over a prediction set. While recent advances use conformal prediction to construct prediction sets…

Chemical reaction networks (CRNs) provide a convenient language for modelling a broad variety of biological systems. These models are commonly studied with respect to the time series they generate in deterministic or stochastic simulations.…

This paper introduces a new optimisation algorithm, called Adaptive Bacterial Colony Optimisation (ABCO), modelled after the foraging behaviour of E. coli bacteria. The algorithm follows three stages--explore, exploit and reproduce--and is…

An adaptive projection-based reduced-order model (ROM) formulation is presented for model-order reduction of problems featuring chaotic and convection-dominant physics. An efficient method is formulated to adapt the basis at every time-step…

Chemical reaction optimisation is essential for synthetic chemistry and pharmaceutical development, demanding the extensive exploration of many reaction parameters to achieve efficient and sustainable processes. We report $\alpha$-PSO, a…

Real-world problems are becoming highly complex and, therefore, have to be solved with combinatorial optimisation (CO) techniques. Motivated by the strong increase of publications on CO, 8,393 articles from this research field are subjected…