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Multi-Agent Systems (MAS) excel at accomplishing complex objectives through the collaborative efforts of individual agents. Among the methodologies employed in MAS, Multi-Agent Reinforcement Learning (MARL) stands out as one of the most…
While Retrieval-Augmented Generation (RAG) methods commonly draw information from unstructured documents, the emerging paradigm of GraphRAG aims to leverage structured data such as knowledge graphs. Most existing GraphRAG efforts focus on…
Machine learning is essentially the sciences of playing with data. An adaptive data selection strategy, enabling to dynamically choose different data at various training stages, can reach a more effective model in a more efficient way. In…
Foundation models contain a wealth of information from their vast number of training samples. However, most prior arts fail to extract this information in a precise and efficient way for small sample sizes. In this work, we propose a…
High-dimensional measurements are often correlated which motivates their approximation by factor models. This holds also true when features are engineered via low-dimensional interactions or kernel tricks. This often results in over…
Retrieval-Augmented Generation (RAG) enables large language models (LLMs) to access external knowledge sources, but the effectiveness of RAG relies on the coordination between the retriever and the generator. Since these components are…
Before applying data analytics or machine learning to a data set, a vital step is usually the construction of an informative set of features from the data. In this paper, we present SMARTFEAT, an efficient automated feature engineering tool…
Deep learning has enabled traditional reinforcement learning methods to deal with high-dimensional problems. However, one of the disadvantages of deep reinforcement learning methods is the limited exploration capacity of learning agents. In…
Machine learning force fields (MLFFs) are gradually evolving towards enabling molecular dynamics simulations of molecules and materials with ab initio accuracy but at a small fraction of the computational cost. However, several challenges…
The global demand for sustainable protein sources has accelerated the need for intelligent tools that can rapidly process and synthesise domain-specific scientific knowledge. In this study, we present a proof-of-concept multi-agent…
Missing value imputation is a challenging and well-researched topic in data mining. In this paper, we propose IFGAN, a missing value imputation algorithm based on Feature-specific Generative Adversarial Networks (GAN). Our idea is intuitive…
Developing the capacity to effectively search for requisite datasets is an urgent requirement to assist data users in identifying relevant datasets considering the very limited available metadata. For this challenge, the utilization of…
This paper proposes a safe reinforcement learning algorithm for generation bidding decisions and unit maintenance scheduling in a competitive electricity market environment. In this problem, each unit aims to find a bidding strategy that…
Reconstructing force fields (FFs) from atomistic simulation data is a challenge since accurate data can be highly expensive. Here, machine learning (ML) models can help to be data economic as they can be successfully constrained using the…
Retrieval-augmented generation (RAG) systems have been shown to be effective in addressing many of the drawbacks of relying solely on the parametric memory of large language models. Recent work has demonstrated that RAG systems can be…
Large language models (LLMs) often exhibit limited performance on domain-specific tasks due to the natural disproportionate representation of specialized information in their training data and the static nature of these datasets. Knowledge…
It is desirable for an agent to be able to solve a rich variety of problems that can be specified through language in the same environment. A popular approach towards obtaining such agents is to reuse skills learned in prior tasks to…
Recent advances in large language models (LLMs) have shown great potential to accelerate drug discovery. However, the specialized nature of biochemical data often necessitates costly domain-specific fine-tuning, posing major challenges.…
Retrieval-Augmented Generation (RAG) has gained significant attention in recent years for its potential to enhance natural language understanding and generation by combining large-scale retrieval systems with generative models. RAG…
Machine Learning requires large amounts of labeled data to fit a model. Many datasets are already publicly available, nevertheless forcing application possibilities of machine learning to the domains of those public datasets. The…