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The integration of experiment technologies with large language models (LLMs) is transforming scientific research, offering AI capabilities beyond specialized problem-solving to becoming research assistants for human scientists. In power…
As artificial intelligence (AI) gains greater adoption in a wide variety of applications, it has immense potential to contribute to mathematical discovery, by guiding conjecture generation, constructing counterexamples, assisting in…
This thesis investigates two key phenomena in large language models (LLMs): in-context learning (ICL) and model collapse. We study ICL in a linear transformer with tied weights trained on linear regression tasks, and show that minimising…
Science and engineering problems fall in the category of complex conceptual problems that require specific conceptual information (CI) like math/logic -related know-how, process information, or engineering guidelines to solve them. Large…
Large Language Models (LLMs) have become extremely potent instruments with exceptional capacities for comprehending and producing human-like text in a wide range of applications. However, the increasing size and complexity of LLMs present…
Combinatorial optimization (CO) is essential for improving efficiency and performance in engineering applications. As complexity increases with larger problem sizes and more intricate dependencies, identifying the optimal solution become…
Large language models (LLMs) exhibit outstanding performance in machine translation via in-context learning. In contrast to sentence-level translation, document-level translation (DOCMT) by LLMs based on in-context learning faces two major…
This paper presents a comprehensive evaluation of the performance of state-of-the-art Large Language Models (LLMs) on challenging university-level algorithms exams. By testing multiple models on both a Romanian exam and its high-quality…
Accurate prediction of human behavior is crucial for AI systems to effectively support real-world applications, such as autonomous robots anticipating and assisting with human tasks. Real-world scenarios frequently present challenges such…
Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…
We consider the issue of calibration in large language models (LLM). Recent studies have found that common interventions such as instruction tuning often result in poorly calibrated LLMs. Although calibration is well-explored in traditional…
Recent advancements in Large Language Models (LLMs) have showcased striking results on existing logical reasoning benchmarks, with some models even surpassing human performance. However, the true depth of their competencies and robustness…
Embodied agents need to plan and act reliably in real and complex 3D environments. Classical planning (e.g., PDDL) offers structure and guarantees, but in practice it fails under noisy perception and incorrect predicate grounding. On the…
Large language models (LLMs) are increasingly strong contenders in machine translation. In this work, we focus on document-level translation, where some words cannot be translated without context from outside the sentence. Specifically, we…
Large language models (LLMs) can learn from a few demonstrations provided at inference time. We study this in-context learning phenomenon through the lens of Gaussian Processes (GPs). We build controlled experiments where models observe…
This work presents an analytical framework for the design and analysis of LLM-based algorithms, i.e., algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of…
Large Language Models are increasingly used by students to explore advanced material in computer science, including graph theory. As these tools become integrated into undergraduate and graduate coursework, it is important to understand how…
Integration of artificial intelligence (AI) into life cycle assessment (LCA) has accelerated in recent years, with numerous studies successfully adapting machine learning algorithms to support various stages of LCA. Despite this rapid…
Recent works successfully leveraged Large Language Models' (LLM) abilities to capture abstract knowledge about world's physics to solve decision-making problems. Yet, the alignment between LLMs' knowledge and the environment can be wrong…
We introduce a new computer algebra system optimized for use in lattice perturbation theory as well as continuum perturbation theory and a new framework to perform automated perturbative calculations on top of said computer algebra system.…