RNA secondary structure prediction is a compute intensive task that lies at the core of several search algorithms in bioinformatics. Fortunately, the RNA folding approaches, such as the Nussinov base pair maximization, involve mathematical operations over affine control loops whose iteration space can be represented by the polyhedral model. Polyhedral compilation techniques have proven to be a powerful tool for optimization of dense array codes. However, classical affine loop nest transformations used with these techniques do not optimize effectively codes of dynamic programming of RNA structure predictions. The purpose of this paper is to present a novel approach allowing for generation of a parallel tiled Nussinov RNA loop nest exposing significantly higher performance than that of known related code. This effect is achieved due to improving code locality and calculation parallelization. In order to improve code locality, we apply our previously published technique of automatic loop nest tiling to all the three loops of the Nussinov loop nest. This approach first forms original rectangular 3D tiles and then corrects them to establish their validity by means of applying the transitive closure of a dependence graph. To produce parallel code, we apply the loop skewing technique to a tiled Nussinov loop nest. The technique is implemented as a part of the publicly available polyhedral source-to-source TRACO compiler. Generated code was run on modern Intel multi-core processors and coprocessors. We present the speed-up factor of generated Nussinov RNA parallel code and demonstrate that it is considerably faster than related codes in which only the two outer loops of the Nussinov loop nest are tiled.

A novel approach to generation of tiled code for arbitrarily nested loops is presented. It is derived via a combination of the polyhedral and iteration space slicing frameworks. Instead of program transformations represented by a set of affine functions, one for each statement, it uses the transitive closure of a loop nest dependence graph to carry out corrections of original rectangular tiles so that all dependences of the original loop nest are preserved under the lexicographic order of target tiles. Parallel tiled code can be generated on the basis of valid serial tiled code by means of applying affine transformations or transitive closure using on input an inter-tile dependence graph whose vertices are represented by target tiles while edges connect dependent target tiles. We demonstrate how a relation describing such a graph can be formed. The main merit of the presented approach in comparison with the well-known ones is that it does not require full permutability of loops to generate both serial and parallel tiled codes; this increases the scope of loop nests to be tiled.

RNA folding is an ongoing compute-intensive task of bioinformatics. Parallelization and improving code locality for this kind of algorithms is one of the most relevant areas in computational biology. Fortunately, RNA secondary structure approaches, such as Nussinov’s recurrence, involve mathematical operations over affine control loops whose iteration space can be represented by the polyhedral model. This allows us to apply powerful polyhedral compilation techniques based on the transitive closure of dependence graphs to generate parallel tiled code implementing Nussinov’s RNA folding. Such techniques are within the iteration space slicing framework – the transitive dependences are applied to the statement instances of interest to produce valid tiles. The main problem at generating parallel tiled code is defining a proper tile size and tile dimension which impact parallelism degree and code locality. To choose the best tile size and tile dimension, we first construct parallel parametric tiled code (parameters are variables defining tile size). With this purpose, we first generate two nonparametric tiled codes with different fixed tile sizes but with the same code structure and then derive a general affine model, which describes all integer factors available in expressions of those codes. Using this model and known integer factors present in the mentioned expressions (they define the left-hand side of the model), we find unknown integers in this model for each integer factor available in the same fixed tiled code position and replace in this code expressions, including integer factors, with those including parameters. Then we use this parallel parametric tiled code to implement the well-known tile size selection (TSS) technique, which allows us to discover in a given search space the best tile size and tile dimension maximizing target code performance. For a given search space, the presented approach allows us to choose the best tile size and tile dimension in parallel tiled code implementing Nussinov’s RNA folding. Experimental results, received on modern Intel multi-core processors, demonstrate that this code outperforms known closely related implementations when the length of RNA strands is bigger than 2500.

Designing automatic optimizing compilers is an advanced engineering process requiring a great deal of expertise, programming, testing, and experimentation. Maintaining the approach and adapting it to evolving libraries and environments is a time-consuming effort. In recent years, OpenAI has presented the GPT model, which is designed for many fields like computer science, image processing, linguistics, and medicine. It also supports automatic programming and translation between programming languages, as well as human languages. This article will verify the usability of the commonly known LLM model, GPT, for the non-trivial NPDP Nussinov’s parallel algorithm code within the OpenMP standard to create a parallel equivalent of CUDA for NVIDIA graphics cards. The goal of this approach is to avoid creating any post-processing scripts and writing any lines of target code. To validate the output code, we compare the resulting arrays with the ones calculated by the optimized code for the CPU generated employing the polyhedral compilers. Finally, the code will be checked for scalability and performance. We will concentrate on assessing the capabilities of GPT, highlighting common challenges that can be refined during future learning processes. This will enhance code generation for various platforms by leveraging the outcomes from polyhedral optimizers.