Related papers: LICO: Large Language Models for In-Context Molecul…

Large language models (LLMs) have achieved great success across diverse tasks, and fine-tuning is sometimes needed to further enhance generation quality. Most existing methods rely on human supervision or parameter retraining, both of which…

Many real-world optimization problems are guided by complex, subjective preferences that are difficult to express as explicit closed-form objectives. In response, we introduce Language-in-the-Loop Optimization (LILO), a Bayesian…

Large language models (LLMs) have shown impressive success in various applications. However, these models are often not well aligned with human intents, which calls for additional treatments on them; that is, the alignment problem. To make…

Prompt engineering, as an efficient and effective way to leverage Large Language Models (LLM), has drawn a lot of attention from the research community. The existing research primarily emphasizes the importance of adapting prompts to…

Large Language Models (LLMs) have the potential to accelerate small molecule drug design due to their ability to reason about information from diverse sources and formats. However, their practical utility remains unclear due to the lack of…

Large Language Models (LLMs) have shown strong capabilities in language understanding and reasoning across diverse domains. Recently, there has been increasing interest in utilizing LLMs not merely as assistants in optimization tasks, but…

Optimizing instructions for large language models (LLMs) is critical for harnessing their full potential in complex and diverse tasks. However, relying solely on white-box approaches demands extensive computational resources and offers…

Large Transformer models are capable of implementing a plethora of so-called in-context learning algorithms. These include gradient descent, classification, sequence completion, transformation, and improvement. In this work, we investigate…

Large language models (LLMs) have shown remarkable performance in various tasks and have been extensively utilized by the public. However, the increasing concerns regarding the misuse of LLMs, such as plagiarism and spamming, have led to…

Despite recent advancements, most computational methods for molecule optimization are constrained to single- or double-property optimization tasks and suffer from poor scalability and generalizability to novel optimization tasks. Meanwhile,…

Large language models (LLMs) excel in general tasks but struggle with domain-specific ones, requiring fine-tuning with specific data. With many open-source LLMs available, selecting the best model for fine-tuning downstream tasks is…

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) 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…

The fine-tuning of Large Language Models (LLMs) has enabled them to recently achieve milestones in natural language processing applications. The emergence of ever larger LLMs has paved the way for more efficient fine-tuning methods. Among…

Large Language Models (LLMs) have substantially driven scientific progress in various domains, and many papers have demonstrated their ability to tackle complex problems with creative solutions. Our paper introduces a new foundation model,…

Offline black-box optimization (BBO) aims to find optimal designs based solely on an offline dataset of designs and their labels. Such scenarios frequently arise in domains like DNA sequence design and robotics, where only a few labeled…

Many real-world scientific and industrial applications require the optimization of expensive black-box functions. Bayesian Optimization (BO) provides an effective framework for such problems. However, traditional BO methods are prone to get…

Bayesian optimization (BO) is a powerful class of algorithms for optimizing expensive black-box functions, but designing effective BO algorithms remains a manual, expertise-driven task. Recent advancements in Large Language Models (LLMs)…

In this paper, we introduce a novel approach for addressing the multi-objective optimization problem in large language model merging via black-box multi-objective optimization algorithms. The goal of model merging is to combine multiple…

Large Language Models (LLMs) are increasingly acting as autonomous agents, but their continuous interaction with the environment can lead to in-context reward hacking (ICRH), a phenomenon where LLMs iteratively optimize their behavior to…