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From Performance to Understanding: A Vision for Explainable Automated Algorithm Design

arXiv.org Artificial Intelligence

Automated algorithm design is entering a new phase: Large Language Models can now generate full optimisation (meta)heuristics, explore vast design spaces and adapt through iterative feedback. Yet this rapid progress is largely performance-driven and opaque. Current LLM-based approaches rarely reveal why a generated algorithm works, which components matter or how design choices relate to underlying problem structures. This paper argues that the next breakthrough will come not from more automation, but from coupling automation with understanding from systematic benchmarking. We outline a vision for explainable automated algorithm design, built on three pillars: (i) LLM-driven discovery of algorithmic variants, (ii) explainable benchmarking that attributes performance to components and hyperparameters and (iii) problem-class descriptors that connect algorithm behaviour to landscape structure. Together, these elements form a closed knowledge loop in which discovery, explanation and generalisation reinforce each other. We argue that this integration will shift the field from blind search to interpretable, class-specific algorithm design, accelerating progress while producing reusable scientific insight into when and why optimisation strategies succeed.








Nonlocal Monte Carlo via Reinforcement Learning

arXiv.org Artificial Intelligence

Optimizing or sampling complex cost functions of combinatorial optimization problems is a longstanding challenge across disciplines and applications. When employing family of conventional algorithms based on Markov Chain Monte Carlo (MCMC) such as simulated annealing or parallel tempering, one assumes homogeneous (equilibrium) temperature profiles across input. This instance independent approach was shown to be ineffective for the hardest benchmarks near a computational phase transition when the so-called overlap-gap-property holds. In these regimes conventional MCMC struggles to unfreeze rigid variables, escape suboptimal basins of attraction, and sample high-quality and diverse solutions. In order to mitigate these challenges, Nonequilibrium Nonlocal Monte Carlo (NMC) algorithms were proposed that leverage inhomogeneous temperature profiles thereby accelerating exploration of the configuration space without compromising its exploitation. Here, we employ deep reinforcement learning (RL) to train the nonlocal transition policies of NMC which were previously designed phenomenologically. We demonstrate that the resulting solver can be trained solely by observing energy changes of the configuration space exploration as RL rewards and the local minimum energy landscape geometry as RL states. We further show that the trained policies improve upon the standard MCMC-based and nonlocal simulated annealing on hard uniform random and scale-free random 4-SAT benchmarks in terms of residual energy, time-to-solution, and diversity of solutions metrics.