Leonardo G. Azevedo

Guilherme Lima, João M. B. Rodrigues, Marcelo Machado et al.

We present a Wikidata-based framework, called KIF, for virtually integrating heterogeneous knowledge sources. KIF is written in Python and is released as open-source. It leverages Wikidata's data model and vocabulary plus user-defined mappings to construct a unified view of the underlying sources while keeping track of the context and provenance of their statements. The underlying sources can be triplestores, relational databases, CSV files, etc., which may or may not use the vocabulary and RDF encoding of Wikidata. The end result is a virtual knowledge base which behaves like an "extended Wikidata" and which can be queried using a simple but expressive pattern language, defined in terms of Wikidata's data model. In this paper, we present the design and implementation of KIF, discuss how we have used it to solve a real integration problem in the domain of chemistry (involving Wikidata, PubChem, and IBM CIRCA), and present experimental results on the performance and overhead of KIF

Sandro Rama Fiorini, Leonardo G. Azevedo, Raphael M. Thiago et al.

Agentic frameworks powered by Large Language Models (LLMs) can be useful tools in scientific workflows by enabling human-AI co-creation. A key challenge is recommending the next steps during workflow creation without relying solely on LLMs, which risk hallucination and require fine-tuning with scarce proprietary data. We propose an episodic memory architecture that stores and retrieves past workflows to guide agents in suggesting plausible next tasks. By matching current workflows with historical sequences, agents can recommend steps based on prior patterns.

Renan Souza, Leonardo G. Azevedo, Vítor Lourenço et al.

Machine Learning (ML) has already fundamentally changed several businesses. More recently, it has also been profoundly impacting the computational science and engineering domains, like geoscience, climate science, and health science. In these domains, users need to perform comprehensive data analyses combining scientific data and ML models to provide for critical requirements, such as reproducibility, model explainability, and experiment data understanding. However, scientific ML is multidisciplinary, heterogeneous, and affected by the physical constraints of the domain, making such analyses even more challenging. In this work, we leverage workflow provenance techniques to build a holistic view to support the lifecycle of scientific ML. We contribute with (i) characterization of the lifecycle and taxonomy for data analyses; (ii) design principles to build this view, with a W3C PROV compliant data representation and a reference system architecture; and (iii) lessons learned after an evaluation in an Oil & Gas case using an HPC cluster with 393 nodes and 946 GPUs. The experiments show that the principles enable queries that integrate domain semantics with ML models while keeping low overhead (<1%), high scalability, and an order of magnitude of query acceleration under certain workloads against without our representation.