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Patient-trial matching requires reasoning over long, heterogeneous electronic health records (EHRs) and complex eligibility criteria, posing significant challenges for scalability, generalization, and computational efficiency. Existing…
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Large Language Models (LLMs) deliver powerful AI capabilities but face deployment challenges due to high resource costs and latency, whereas Small Language Models (SLMs) offer efficiency and deployability at the cost of reduced performance.…
Large Language Models (LLMs) show promise in biomedicine but lack true causal understanding, relying instead on correlations. This paper envisions causal LLM agents that integrate multimodal data (text, images, genomics, etc.) and perform…
Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…
Large Language Models (LLMs) are transforming artificial intelligence, enabling autonomous agents to perform diverse tasks across various domains. These agents, proficient in human-like text comprehension and generation, have the potential…
Simulated Students offer a valuable methodological framework for evaluating pedagogical approaches and modelling diverse learner profiles, tasks which are otherwise challenging to undertake systematically in real-world settings. Recent…
Computational experiments have emerged as a valuable method for studying complex systems, involving the algorithmization of counterfactuals. However, accurately representing real social systems in Agent-based Modeling (ABM) is challenging…
Large Language Models (LLMs) have revolutionised the field of Natural Language Processing (NLP) and have achieved state-of-the-art performance in practically every task in this field. However, the prevalent approach used in text generation,…
As AI becomes fundamental in sectors like healthcare, explainable AI (XAI) tools are essential for trust and transparency. However, traditional user studies used to evaluate these tools are often costly, time consuming, and difficult to…
The rapid advancement of large language models (LLMs) has made detecting AI-generated text an increasingly critical challenge. Traditional methods often fail to capture the nuanced semantic differences between human and machine-generated…
We present a quantum computing approach to analyzing Large Language Model (LLM) embeddings, leveraging complex-valued representations and modeling semantic relationships using quantum mechanical principles. By establishing a direct mapping…
Student simulation presents a transformative approach to enhance learning outcomes, advance educational research, and ultimately shape the future of effective pedagogy. We explore the feasibility of using large language models (LLMs), a…
Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs),…
Recent advancements in AI have reinvigorated Agent-Based Models (ABMs), as the integration of Large Language Models (LLMs) has led to the emergence of ``generative ABMs'' as a novel approach to simulating social systems. While ABMs offer…
The ability of Large Language Models (LLMs) to mimic human behavior triggered a plethora of computational social science research, assuming that empirical studies of humans can be conducted with AI agents instead. Since there have been…
As Large Language Models (LLMs) and other forms of Generative AI permeate various aspects of our lives, their application for learning and education has provided opportunities and challenges. This paper presents an investigation into the…
Large Language Models (LLMs) have transformed natural language processing and hold growing promise for advancing science, healthcare, and decision-making. Yet their training paradigms remain dominated by affirmation-based inference, akin to…
In the rapidly evolving landscape of artificial intelligence (AI), generative large language models (LLMs) stand at the forefront, revolutionizing how we interact with our data. However, the computational intensity and memory consumption of…
Recent advances in Large Language Models (LLMs) have opened new perspectives for automation in optimization. While several studies have explored how LLMs can generate or solve optimization models, far less is understood about what these…