Ben van Werkhoven

Floris-Jan Willemsen, Rob V. van Nieuwpoort, Ben van Werkhoven

Automatic performance tuning (auto-tuning) is widely used to optimize performance-critical applications across many scientific domains by finding the best program variant among many choices. Efficient optimization algorithms are crucial for navigating the vast and complex search spaces in auto-tuning. As is well known in the context of machine learning and similar fields, hyperparameters critically shape optimization algorithm efficiency. Yet for auto-tuning frameworks, these hyperparameters are almost never tuned, and their potential performance impact has not been studied. We present a novel method for general hyperparameter tuning of optimization algorithms for auto-tuning, thus "tuning the tuner". In particular, we propose a robust statistical method for evaluating hyperparameter performance across search spaces, publish a FAIR data set and software for reproducibility, and present a simulation mode that replays previously recorded tuning data, lowering the costs of hyperparameter tuning by two orders of magnitude. We show that even limited hyperparameter tuning can improve auto-tuner performance by 94.8% on average, and establish that the hyperparameters themselves can be optimized efficiently with meta-strategies (with an average improvement of 204.7%), demonstrating the often overlooked hyperparameter tuning as a powerful technique for advancing auto-tuning research and practice.

Floris-Jan Willemsen, Niki van Stein, Ben van Werkhoven

Automatic performance tuning (auto-tuning) is essential for optimizing high-performance applications, where vast and irregular parameter spaces make manual exploration infeasible. Traditionally, auto-tuning relies on well-established optimization algorithms such as evolutionary algorithms, annealing methods, or surrogate model-based optimizers to efficiently find near-optimal configurations. However, designing effective optimizers remains challenging, as no single method performs best across all tuning tasks. In this work, we explore a new paradigm: using large language models (LLMs) to automatically generate optimization algorithms tailored to auto-tuning problems. We introduce a framework that prompts LLMs with problem descriptions and search-space characteristics results to produce specialized optimization strategies, which are iteratively examined and improved. These generated algorithms are evaluated on four real-world auto-tuning applications across six hardware platforms and compared against the state-of-the-art in optimization algorithms of two contemporary auto-tuning frameworks. The evaluation demonstrates that providing additional application- and search space-specific information in the generation stage results in an average performance improvement of 30.7\% and 14.6\%, respectively. In addition, our results show that LLM-generated optimizers can rival, and in various cases outperform, existing human-designed algorithms, with our best-performing generated optimization algorithms achieving, on average, 72.4\% improvement over state-of-the-art optimizers for auto-tuning.

Floris-Jan Willemsen, Rob van Nieuwpoort, Ben van Werkhoven

Finding optimal parameter configurations for tunable GPU kernels is a non-trivial exercise for large search spaces, even when automated. This poses an optimization task on a non-convex search space, using an expensive to evaluate function with unknown derivative. These characteristics make a good candidate for Bayesian Optimization, which has not been applied to this problem before. However, the application of Bayesian Optimization to this problem is challenging. We demonstrate how to deal with the rough, discrete, constrained search spaces, containing invalid configurations. We introduce a novel contextual variance exploration factor, as well as new acquisition functions with improved scalability, combined with an informed acquisition function selection mechanism. By comparing the performance of our Bayesian Optimization implementation on various test cases to the existing search strategies in Kernel Tuner, as well as other Bayesian Optimization implementations, we demonstrate that our search strategies generalize well and consistently outperform other search strategies by a wide margin.

Gijs van den Oord, Victor Azizi, Alessio Sclocco et al.

We present the collaborative model of ESiWACE2 Services, where Research Software Engineers (RSEs) from the Netherlands eScience Center (NLeSC) and Atos offer their expertise to climate and earth system modeling groups across Europe. Within 6-month collaborative projects, the RSEs intend to provide guidance and advice regarding the performance, portability to new architectures, and scalability of selected applications. We present the four awarded projects as examples of this funding structure.

Ben van Werkhoven, Willem Jan Palenstijn, Alessio Sclocco

After years of using Graphics Processing Units (GPUs) to accelerate scientific applications in fields as varied as tomography, computer vision, climate modeling, digital forensics, geospatial databases, particle physics, radio astronomy, and localization microscopy, we noticed a number of technical, socio-technical, and non-technical challenges that Research Software Engineers (RSEs) may run into. While some of these challenges, such as managing different programming languages within a project, or having to deal with different memory spaces, are common to all software projects involving GPUs, others are more typical of scientific software projects. Among these challenges we include changing resolutions or scales, maintaining an application over time and making it sustainable, and evaluating both the obtained results and the achieved performance. %In this paper, we present the challenges and lessons learned from research software engineering GPU applications.