Related papers: LILO: Bayesian Optimization with Natural Language …

Modern optimization in experimental chemistry employs algorithmic search through black-box parameter spaces. Here we demonstrate that pre-trained knowledge in large language models (LLMs) fundamentally changes this paradigm. Using six fully…

Bayesian Optimization (BO) is widely used for optimizing expensive black-box functions, particularly in hyperparameter tuning. However, standard BO assumes access to precise objective values, which may be unavailable, noisy, or unreliable…

We propose a general-purpose approach for improving the ability of large language models (LLMs) to intelligently and adaptively gather information from a user or other external source using the framework of sequential Bayesian experimental…

Recent developments in Direct Preference Optimization (DPO) allow large language models (LLMs) to function as implicit ranking models by maximizing the margin between preferred and non-preferred responses. In practice, user feedback on such…

Lead optimization in drug discovery requires efficiently navigating vast chemical space through iterative cycles to enhance molecular properties while preserving structural similarity to the original lead compound. Despite recent advances,…

A significant barrier to the widespread adoption of Bayesian inference is the specification of prior distributions and likelihoods, which often requires specialized statistical expertise. This paper investigates the feasibility of using a…

Direct Preference Optimization (DPO) has emerged as a promising approach for aligning large language models with human preferences. While prior work mainly extends DPO from the aspect of the objective function, we instead improve DPO from…

Large language models (LLMs) demonstrate impressive performance but lack the flexibility to adapt to human preferences quickly without retraining. In this work, we introduce Test-time Preference Optimization (TPO), a framework that aligns…

Enhancing the conformity of large language models (LLMs) to human preferences remains an ongoing research challenge. Recently, offline approaches such as Direct Preference Optimization (DPO) have gained prominence as attractive options due…

Aligning the output of Large Language Models (LLMs) with human preferences (e.g., by means of reinforcement learning with human feedback, or RLHF) is essential for ensuring their effectiveness in real-world scenarios. Despite significant…

We study the problem of preferential Bayesian optimization (BO), where we aim to optimize a black-box function with only preference feedback over a pair of candidate solutions. Inspired by the likelihood ratio idea, we construct a…

Large language models (LLMs) can generate long-form and coherent text, yet they often hallucinate facts, which undermines their reliability. To mitigate this issue, inference-time methods steer LLM representations toward the "truthful…

The optimal assignment of Large Language Models (LLMs) to specialized roles in multi-agent systems is a significant challenge, defined by a vast combinatorial search space, expensive black-box evaluations, and an inherent trade-off between…

This paper explores the use of foundational large language models (LLMs) in hyperparameter optimization (HPO). Hyperparameters are critical in determining the effectiveness of machine learning models, yet their optimization often relies on…

Logical reasoning is a key task for artificial intelligence due to it's role in major downstream tasks such as Question Answering, Summarization. Recent methods in improving the reasoning ability of LLMs fall short in correctly converting a…

Hyperparameter optimization (HPO) plays a central role in the performance of deep learning models, yet remains computationally expensive and difficult to interpret, particularly for time-series forecasting. While Bayesian Optimization (BO)…

Large Language Models (LLMs) can acquire extensive world knowledge through pre-training on large corpora. However, due to exposure to low-quality data, LLMs may exhibit harmful behavior without aligning with human values. The dominant…

Scaling training data and model parameters has long driven progress in large language models (LLMs), but this paradigm is increasingly constrained by the scarcity of high-quality data and diminishing returns from rising computational costs.…

Large Language Models (LLMs) have revolutionized Natural Language Processing (NLP) but demand massive GPU resources for training. Lowering the threshold for LLMs training would encourage greater participation from researchers, benefiting…

Large Language Models (LLMs) have demonstrated unprecedented generative capabilities, yet their alignment with human values remains critical for ensuring helpful and harmless deployments. While Reinforcement Learning from Human Feedback…