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Large Language Models have recently gained significant attention in scientific discovery for their extensive knowledge and advanced reasoning capabilities. However, they encounter challenges in effectively simulating observational feedback…

Large Language Models (LLMs) can exhibit considerable variation in the quality of their sampled outputs. Reranking and selecting the best generation from the sampled set is a popular way of obtaining strong gains in generation quality. In…

Chemical plant design and optimisation have proven challenging due to the complexity of these real-world systems. The resulting complexity translates into high computational costs for these systems' mathematical formulations and simulation…

Large Language Models (LLMs) have achieved significant progress across various fields and have exhibited strong potential in evolutionary computation, such as generating new solutions and automating algorithm design. Surrogate-assisted…

Large Language Models (LLMs) are becoming essential tools for various natural language processing tasks but often suffer from generating outdated or incorrect information. Retrieval-Augmented Generation (RAG) addresses this issue by…

Surrogate-assisted evolutionary algorithms have been widely developed to solve complex and computationally expensive multi-objective optimization problems in recent years. However, when dealing with high-dimensional optimization problems,…

The performance of multi-objective evolutionary algorithms deteriorates appreciably in solving many-objective optimization problems which encompass more than three objectives. One of the known rationales is the loss of selection pressure…

Large Language Model (LLM) based multi-agent systems (MAS) show remarkable potential in collaborative problem-solving, yet they still face critical challenges: low communication efficiency, poor scalability, and a lack of effective…

Retrieval-Augmented Generation (RAG) has been shown to enhance the factual accuracy of Large Language Models (LLMs), but existing methods often suffer from limited reasoning capabilities in effectively using the retrieved evidence,…

Multigrid methods are asymptotically optimal algorithms ideal for large-scale simulations. But, they require making numerous algorithmic choices that significantly influence their efficiency. Unlike recent approaches that learn optimal…

One of the problems in applying Genetic Algorithm is that there is some situation where the evolutionary process converges too fast to a solution which causes it to be trapped in local optima. To overcome this problem, a proper diversity in…

This study introduces AGGA, a dataset comprising 80 academic guidelines for the use of Generative AIs (GAIs) and Large Language Models (LLMs) in academic settings, meticulously collected from official university websites. The dataset…

Combining large language models during training or at inference time has shown substantial performance gain over component LLMs. This paper presents LLM-TOPLA, a diversity-optimized LLM ensemble method with three unique properties: (i) We…

Natural language generation (NLG) is the key technology to achieve generative artificial intelligence (AI). With the breakthroughs in large language models (LLMs), NLG has been widely used in various medical applications, demonstrating the…

Large Language Models (LLMs) such as GPT-4 have demonstrated their ability to understand natural language and generate complex code snippets. This paper introduces a novel Large Language Model Evolutionary Algorithm (LLaMEA) framework,…

Language is a ubiquitous tool that is foundational to reasoning and collaboration, ranging from everyday interactions to sophisticated problem-solving tasks. The establishment of a common language can serve as a powerful asset in ensuring…

Large language models (LLMs) are widely used in retrieval-augmented generation (RAG) to incorporate external knowledge at inference time. However, when retrieved contexts are noisy, incomplete, or heterogeneous, a single generation process…

Creating diverse sets of high quality solutions has become an important problem in recent years. Previous works on diverse solutions problems consider solutions' objective quality and diversity where one is regarded as the optimization goal…

For various optimization methods, gradient descent-based algorithms can achieve outstanding performance and have been widely used in various tasks. Among those commonly used algorithms, ADAM owns many advantages such as fast convergence…

We study sample-efficient molecular optimization under a limited budget of oracle evaluations. We propose MolLIBRA (MultimOdaLity and Language Integrated Bayesian and evolutionaRy optimizAtion), a genetic algorithm based framework that…