dr hab. inż. Paweł Czarnul | Gdańsk University of Technology

The Contextual Multi-Armed Bandits (CMAB) framework is pivotal for learning to make decisions. However, due to challenges in deploying online algorithms, there is a shift towards offline policy learning, which relies on pre-existing datasets. This study examines the relationship between the quality of these datasets and the performance of offline policy learning algorithms, specifically, Neural Greedy and NeuraLCB. Our results...

In this paper we investigate performance-energy optimization of tokenizer algorithm training using power capping. We focus on parallel, multi-threaded implementations of Byte Pair Encoding (BPE), Unigram, WordPiece, and WordLevel run on two systems with different multi-core CPUs: Intel Xeon 6130 and desktop Intel i7-13700K. We analyze execution times and energy consumption for various numbers of threads and various power caps and...

Graphical Processor Units (GPUs) are nowadays widely used in all-atom molecular simulations because of the advantage of efficient partitioning of atom pairs between the kernels to compute the contributions to energy and forces, thus enabling the treatment of very large systems. Extension of time- and size-scale of computations is also sought through the development of coarse-grained (CG) models, in which atoms are merged into extended...

Coarse-grained models are nowadays extensively used in biomolecular simulations owing to the tremendous extension of size- and time-scale of simulations. The physics-based UNRES (UNited RESidue) model of proteins developed in our laboratory has only two interaction sites per amino-acid residue (united peptide groups and united side chains) and implicit solvent. However, owing to rigorous physics-based derivation, which enabled...

In this paper we demonstrate that it is possible to obtain considerable improvement of performance and energy aware metrics for training of deep neural networks using a modern parallel multi-GPU system, by enforcing selected, non-default power caps on the GPUs. We measure the power and energy consumption of the whole node using a professional, certified hardware power meter. For a high performance workstation with 8 GPUs, we were...