Prioritizing Safeguarding Over Autonomy: Risks of LLM Agents for Science

Intelligent agents powered by large language models (LLMs) have demonstrated substantial promise in autonomously conducting experiments and facilitating scientific discoveries across various disciplines. While their capabilities are promising, they also introduce novel vulnerabilities that demand careful consideration for safety. However, there exists a notable gap in the literature, as there has been no comprehensive exploration of these vulnerabilities. This position paper fills this gap by conducting a thorough examination of vulnerabilities in LLM-based agents within scientific domains, shedding light on potential risks associated with their misuse and emphasizing the need for safety measures. We begin by providing a comprehensive overview of the potential risks inherent to scientific LLM agents, taking into account user intent, the specific scientific domain, and their potential impact on the external environment. Then, we delve into the origins of these vulnerabilities and provide a scoping review of the limited existing works. Based on our analysis, we propose a triadic framework involving human regulation, agent alignment, and an understanding of environmental feedback (agent regulation) to mitigate these identified risks. Furthermore, we highlight the limitations and challenges associated with safeguarding scientific agents and advocate for the development of improved models, robust benchmarks, and comprehensive regulations to address these issues effectively.

QASnowball: An Iterative Bootstrapping Framework for High-Quality Question-Answering Data Generation

Recent years have witnessed the success of question answering (QA), especially its potential to be a foundation paradigm for tackling diverse NLP tasks. However, obtaining sufficient data to build an effective and stable QA system still remains an open problem. For this problem, we introduce an iterative bootstrapping framework for QA data augmentation (named QASnowball), which can iteratively generate large-scale high-quality QA data based on a seed set of supervised examples. Specifically, QASnowball consists of three modules, an answer extractor to extract core phrases in unlabeled documents as candidate answers, a question generator to generate questions based on documents and candidate answers, and a QA data filter to filter out high-quality QA data. Moreover, QASnowball can be self-enhanced by reseeding the seed set to fine-tune itself in different iterations, leading to continual improvements in the generation quality. We conduct experiments in the high-resource English scenario and the medium-resource Chinese scenario, and the experimental results show that the data generated by QASnowball can facilitate QA models: (1) training models on the generated data achieves comparable results to using supervised data, and (2) pre-training on the generated data and fine-tuning on supervised data can achieve better performance. Our code and generated data will be released to advance further work.

ToolLLM: Facilitating Large Language Models to Master 16000+ Real-world APIs

Despite the advancements of open-source large language models (LLMs) and their variants, e.g., LLaMA and Vicuna, they remain significantly limited in performing higher-level tasks, such as following human instructions to use external tools (APIs). This is because current instruction tuning largely focuses on basic language tasks instead of the tool-use domain. This is in contrast to state-of-the-art (SOTA) LLMs, e.g., ChatGPT, which have demonstrated excellent tool-use capabilities but are unfortunately closed source. To facilitate tool-use capabilities within open-source LLMs, we introduce ToolLLM, a general tool-use framework of data construction, model training and evaluation. We first present ToolBench, an instruction-tuning dataset for tool use, which is created automatically using ChatGPT. Specifically, we collect 16,464 real-world RESTful APIs spanning 49 categories from RapidAPI Hub, then prompt ChatGPT to generate diverse human instructions involving these APIs, covering both single-tool and multi-tool scenarios. Finally, we use ChatGPT to search for a valid solution path (chain of API calls) for each instruction. To make the searching process more efficient, we develop a novel depth-first search-based decision tree (DFSDT), enabling LLMs to evaluate multiple reasoning traces and expand the search space. We show that DFSDT significantly enhances the planning and reasoning capabilities of LLMs. For efficient tool-use assessment, we develop an automatic evaluator: ToolEval. We fine-tune LLaMA on ToolBench and obtain ToolLLaMA. Our ToolEval reveals that ToolLLaMA demonstrates a remarkable ability to execute complex instructions and generalize to unseen APIs, and exhibits comparable performance to ChatGPT. To make the pipeline more practical, we devise a neural API retriever to recommend appropriate APIs for each instruction, negating the need for manual API selection.

Exploring Format Consistency for Instruction Tuning

Instruction tuning has emerged as a promising approach to enhancing large language models in following human instructions. It is shown that increasing the diversity and number of instructions in the training data can consistently enhance generalization performance, which facilitates a recent endeavor to collect various instructions and integrate existing instruction tuning datasets into larger collections. However, different users have their unique ways of expressing instructions, and there often exist variations across different datasets in the instruction styles and formats, i.e., format inconsistency. In this work, we study how format inconsistency may impact the performance of instruction tuning. We propose a framework called "Unified Instruction Tuning" (UIT), which calls OpenAI APIs for automatic format transfer among different instruction tuning datasets. We show that UIT successfully improves the generalization performance on unseen instructions, which highlights the importance of format consistency for instruction tuning. To make the UIT framework more practical, we further propose a novel perplexity-based denoising method to reduce the noise of automatic format transfer. We also train a smaller offline model that achieves comparable format transfer capability than OpenAI APIs to reduce costs in practice.

WebCPM: Interactive Web Search for Chinese Long-form Question Answering

Long-form question answering (LFQA) aims at answering complex, open-ended questions with detailed, paragraph-length responses. The de facto paradigm of LFQA necessitates two procedures: information retrieval, which searches for relevant supporting facts, and information synthesis, which integrates these facts into a coherent answer. In this paper, we introduce WebCPM, the first Chinese LFQA dataset. One unique feature of WebCPM is that its information retrieval is based on interactive web search, which engages with a search engine in real time. Following WebGPT, we develop a web search interface. We recruit annotators to search for relevant information using our interface and then answer questions. Meanwhile, the web search behaviors of our annotators would be recorded. In total, we collect 5,500 high-quality question-answer pairs, together with 14,315 supporting facts and 121,330 web search actions. We fine-tune pre-trained language models to imitate human behaviors for web search and to generate answers based on the collected facts. Our LFQA pipeline, built on these fine-tuned models, generates answers that are no worse than human-written ones in 32.5% and 47.5% of the cases on our dataset and DuReader, respectively.

Tool Learning with Foundation Models

Humans possess an extraordinary ability to create and utilize tools, allowing them to overcome physical limitations and explore new frontiers. With the advent of foundation models, AI systems have the potential to be equally adept in tool use as humans. This paradigm, i.e., tool learning with foundation models, combines the strengths of specialized tools and foundation models to achieve enhanced accuracy, efficiency, and automation in problem-solving. Despite its immense potential, there is still a lack of a comprehensive understanding of key challenges, opportunities, and future endeavors in this field. To this end, we present a systematic investigation of tool learning in this paper. We first introduce the background of tool learning, including its cognitive origins, the paradigm shift of foundation models, and the complementary roles of tools and models. Then we recapitulate existing tool learning research into tool-augmented and tool-oriented learning. We formulate a general tool learning framework: starting from understanding the user instruction, models should learn to decompose a complex task into several subtasks, dynamically adjust their plan through reasoning, and effectively conquer each sub-task by selecting appropriate tools. We also discuss how to train models for improved tool-use capabilities and facilitate the generalization in tool learning. Considering the lack of a systematic tool learning evaluation in prior works, we experiment with 17 representative tools and show the potential of current foundation models in skillfully utilizing tools. Finally, we discuss several open problems that require further investigation for tool learning. Overall, we hope this paper could inspire future research in integrating tools with foundation models.