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Creators/Authors contains: "Kailkhura, Bhavya"

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  1. Free, publicly-accessible full text available February 1, 2026
  2. Understanding the training dynamics of transformers is important to explain the impressive capabilities behind large language models. In this work, we study the dynamics of training a shallow transformer on a task of recognizing co-occurrence of two designated words. In the literature of studying training dynamics of transformers, several simplifications are commonly adopted such as weight reparameterization, attention linearization, special initialization, and lazy regime. In contrast, we analyze the gradient flow dynamics of simultaneously training three attention matrices and a linear MLP layer from random initialization, and provide a framework of analyzing such dynamics via a coupled dynamical system. We establish near minimum loss and characterize the attention model after training. We discover that gradient flow serves as an inherent mechanism that naturally divide the training process into two phases. In Phase 1, the linear MLP quickly aligns with the two target signals for correct classification, whereas the softmax attention remains almost unchanged. In Phase 2, the attention matrices and the MLP evolve jointly to enlarge the classification margin and reduce the loss to a near minimum value. Technically, we prove a novel property of the gradient flow, termed \textit{automatic balancing of gradients}, which enables the loss values of different samples to decrease almost at the same rate and further facilitates the proof of near minimum training loss. We also conduct experiments to verify our theoretical results. 
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    Free, publicly-accessible full text available December 10, 2025
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  7. Free, publicly-accessible full text available November 3, 2025
  8. As Large Language Models (LLMs) are integrated into critical real-world applications, their strategic and logical reasoning abilities are increasingly crucial. This paper evaluates LLMs' reasoning abilities in competitive environments through game-theoretic tasks, e.g., board and card games that require pure logic and strategic reasoning to compete with opponents. We first propose GTBench, a language-driven environment composing 10 widely-recognized tasks, across a comprehensive game taxonomy: complete versus incomplete information, dynamic versus static, and probabilistic versus deterministic scenarios. Then, we (1) Characterize the game-theoretic reasoning of LLMs; and (2) Perform LLM-vs.-LLM competitions as reasoning evaluation. We observe that (1) LLMs have distinct behaviors regarding various gaming scenarios; for example, LLMs fail in complete and deterministic games yet they are competitive in probabilistic gaming scenarios; (2) Most open-source LLMs, e.g., CodeLlama-34b-Instruct and Llama-2-70b-chat, are less competitive than commercial LLMs, e.g., GPT-4, in complex games, yet the recently released Llama-3-70b-Instruct makes up for this shortcoming. In addition, code-pretraining greatly benefits strategic reasoning, while advanced reasoning methods such as Chain-of-Thought (CoT) and Tree-of-Thought (ToT) do not always help. We further characterize the game-theoretic properties of LLMs, such as equilibrium and Pareto Efficiency in repeated games. Detailed error profiles are provided for a better understanding of LLMs' behavior. We hope our research provides standardized protocols and serves as a foundation to spur further explorations in the strategic reasoning of LLMs. 
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    Free, publicly-accessible full text available December 11, 2025
  9. Free, publicly-accessible full text available December 23, 2025
  10. Low-rank approximation techniques have become the de facto standard for fine-tuning Large Language Models (LLMs) due to their reduced computational and memory requirements. This paper investigates the effectiveness of these methods in capturing the shift of fine-tuning datasets from the initial pre-trained data distribution. Our findings reveal that there are cases in which low-rank fine-tuning falls short in learning such shifts. This, in turn, produces non-negligible side effects, especially when fine-tuning is adopted for toxicity mitigation in pre-trained models, or in scenarios where it is important to provide fair models. Through comprehensive empirical evidence on several models, datasets, and tasks, we show that low-rank fine-tuning inadvertently preserves undesirable biases and toxic behaviors. We also show that this extends to sequential decision-making tasks, emphasizing the need for careful evaluation to promote responsible LLMs development. 
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