Weiwen Liu

Weiwen Liu, Xu Huang, Xingshan Zeng et al.

Function calling significantly extends the application boundary of large language models, where high-quality and diverse training data is critical for unlocking this capability. However, real function-calling data is quite challenging to collect and annotate, while synthetic data generated by existing pipelines tends to lack coverage and accuracy. In this paper, we present ToolACE, an automatic agentic pipeline designed to generate accurate, complex, and diverse tool-learning data. ToolACE leverages a novel self-evolution synthesis process to curate a comprehensive API pool of 26,507 diverse APIs. Dialogs are further generated through the interplay among multiple agents, guided by a formalized thinking process. To ensure data accuracy, we implement a dual-layer verification system combining rule-based and model-based checks. We demonstrate that models trained on our synthesized data, even with only 8B parameters, achieve state-of-the-art performance on the Berkeley Function-Calling Leaderboard, rivaling the latest GPT-4 models. Our model and a subset of the data are publicly available at https://huggingface.co/Team-ACE.

Shijue Huang, Wanjun Zhong, Jianqiao Lu et al.

The recent trend of using Large Language Models (LLMs) as tool agents in real-world applications underscores the necessity for comprehensive evaluations of their capabilities, particularly in complex scenarios involving planning, creating, and using tools. However, existing benchmarks typically focus on simple synthesized queries that do not reflect real-world complexity, thereby offering limited perspectives in evaluating tool utilization. To address this issue, we present UltraTool, a novel benchmark designed to improve and evaluate LLMs' ability in tool utilization within real-world scenarios. UltraTool focuses on the entire process of using tools - from planning and creating to applying them in complex tasks. It emphasizes real-world complexities, demanding accurate, multi-step planning for effective problem-solving. A key feature of UltraTool is its independent evaluation of planning with natural language, which happens before tool usage and simplifies the task solving by mapping out the intermediate steps. Thus, unlike previous work, it eliminates the restriction of pre-defined toolset. Through extensive experiments on various LLMs, we offer novel insights into the evaluation of capabilities of LLMs in tool utilization, thereby contributing a fresh perspective to this rapidly evolving field. The benchmark is publicly available at https://github.com/JoeYing1019/UltraTool.

Yirong Zeng, Xiao Ding, Yuxian Wang et al.

Augmenting large language models (LLMs) with external tools is a promising approach to enhance their capabilities, especially for complex tasks. Synthesizing tool-use data through real-world simulations is an effective way to achieve this. However, our investigation reveals that training gains significantly decay as synthetic data increases. The model struggles to benefit from additional synthetic data, which fails to endow it with advanced tool-use capabilities in complex scenarios Moreover, we discovered that the above limitation usually manifests as a fragment deficiency (i.e., parameter errors) in response. To this end, we propose an iterative reinforced fine-tuning strategy designed to alleviate this limitation. This strategy involves: (1) enhancing the diversity of response for synthetic data through path exploration of Monte Carlo Tree Search. (2) iteratively pinpointing the model's deficiency by constructing fine-grained preference pairs, and then improving it by preference optimization algorithms for targeted improvement. The experiments show that our method achieves 13.11% better performance than the same-size base model. It achieves an improvement of 6.5% in complex scenarios compared to the baseline, and it also outperforms larger open-source and closed-source models.

Xu Huang, Yuefeng Huang, Weiwen Liu et al.

Tool invocation is a crucial mechanism for extending the capabilities of Large Language Models (LLMs) and has recently garnered significant attention. It enables LLMs to solve complex problems through tool calls while accessing up-to-date world knowledge. However, existing work primarily focuses on the fundamental ability of LLMs to invoke tools for problem-solving, without considering personalized constraints in tool invocation. In this work, we introduce the concept of Personalized Tool Invocation and define two key tasks: Tool Preference and Profile-dependent Query. Tool Preference addresses user preferences when selecting among functionally similar tools, while Profile-dependent Query considers cases where a user query lacks certain tool parameters, requiring the model to infer them from the user profile. To tackle these challenges, we propose PTool, a data synthesis framework designed for personalized tool invocation. Additionally, we construct \textbf{PTBench}, the first benchmark for evaluating personalized tool invocation. We then fine-tune various open-source models, demonstrating the effectiveness of our framework and providing valuable insights. Our benchmark is public at https://github.com/hyfshadow/PTBench.

Shuai Wang, Weiwen Liu, Jingxuan Chen et al.

Recent advances in foundation models, particularly Large Language Models (LLMs) and Multimodal Large Language Models (MLLMs), have facilitated the development of intelligent agents capable of performing complex tasks. By leveraging the ability of (M)LLMs to process and interpret Graphical User Interfaces (GUIs), these agents can autonomously execute user instructions, simulating human-like interactions such as clicking and typing. This survey consolidates recent research on (M)LLM-based GUI agents, highlighting key innovations in data resources, frameworks, and applications. We begin by reviewing representative datasets and benchmarks, followed by an overview of a generalized, unified framework that encapsulates the essential components of prior studies, supported by a detailed taxonomy. Additionally, we explore relevant commercial applications. Drawing insights from existing work, we identify key challenges and propose future research directions. We hope this survey will inspire further advancements in the field of (M)LLM-based GUI agents.

Chen Chen, Xinlong Hao, Weiwen Liu et al.

Large Language Models (LLMs) have demonstrated significant potential in decision-making and reasoning, particularly when integrated with various tools to effectively solve complex problems. However, existing benchmarks for evaluating LLMs' tool usage face several limitations: (1) limited evaluation scenarios, often lacking assessments in real multi-turn dialogue contexts; (2) narrow evaluation dimensions, with insufficient detailed assessments of how LLMs use tools; and (3) reliance on LLMs or real API executions for evaluation, which introduces significant overhead. To address these challenges, we introduce ACEBench, a comprehensive benchmark for assessing tool usage in LLMs. ACEBench categorizes data into three primary types based on evaluation methodology: Normal, Special, and Agent. "Normal" evaluates tool usage in basic scenarios; "Special" evaluates tool usage in situations with ambiguous or incomplete instructions; "Agent" evaluates tool usage through multi-agent interactions to simulate real-world, multi-turn dialogues. We conducted extensive experiments using ACEBench, analyzing various LLMs in-depth and providing a more granular examination of error causes across different data types.

Zezhong Wang, Xingshan Zeng, Weiwen Liu et al.

Supervised fine-tuning (SFT) is a common method to enhance the tool calling capabilities of Large Language Models (LLMs), with the training data often being synthesized. The current data synthesis process generally involves sampling a set of tools, formulating a requirement based on these tools, and generating the call statements. However, tools sampled randomly lack relevance, making them difficult to combine and thus reducing the diversity of the data. Additionally, current work overlooks the coherence between turns of dialogues, leading to a gap between the synthesized data and real-world scenarios. To address these issues, we propose a Graph-based Sampling strategy to sample more relevant tool combinations, and a Planned-generation strategy to create plans that guide the synthesis of coherent dialogues. We integrate these two strategies and enable multiple agents to synthesize the dialogue data interactively, resulting in our tool-calling data synthesis pipeline ToolFlow. Data quality assessments demonstrate improvements in the naturalness and coherence of our synthesized dialogues. Finally, we apply SFT on LLaMA-3.1-8B using 8,000 synthetic dialogues generated with ToolFlow. Results show that the model achieves tool-calling performance comparable to or even surpassing GPT-4, while maintaining strong general capabilities.

Xingshan Zeng, Weiwen Liu, Lingzhi Wang et al.

Agentic task-solving with Large Language Models (LLMs) requires multi-turn, multi-step interactions, often involving complex function calls and dynamic user-agent exchanges. Existing simulation-based data generation methods for such scenarios rely heavily on costly autoregressive interactions between multiple LLM agents, thereby limiting real-world performance of agentic tasks. In this paper, we propose a novel Non-Autoregressive Iterative Generation framework, called ToolACE-MT, for constructing high-quality multi-turn agentic dialogues. ToolACE-MT generates full conversational trajectories through three stages: coarse-grained initialization, iterative refinement, and offline verification. The initialization phase builds a structurally complete yet semantically coarse dialogue skeleton; the iterative refinement phase introduces realistic complexities and continued refinement via mask-and-fill operations; and the offline verification phase ensures correctness and coherence via rule- and model-based checks. Experiments demonstrate that ToolACE-MT enables efficient, effective and generalizable agentic data generation, offering a new paradigm for high-quality data construction in tool-augmented LLM scenarios.

Xu Huang, Weiwen Liu, Xingshan Zeng et al.

The tool-using capability of large language models (LLMs) enables them to access up-to-date external information and handle complex tasks. Current approaches to enhancing this capability primarily rely on distilling advanced models by data synthesis. However, this method incurs significant costs associated with advanced model usage and often results in data compatibility issues, led by the high discrepancy in the knowledge scope between the advanced model and the target model. To address these challenges, we propose ToolACE-DEV, a self-improving framework for tool learning. First, we decompose the tool-learning objective into sub-tasks that enhance basic tool-making and tool-using abilities. Then, we introduce a self-evolving paradigm that allows lightweight models to self-improve, reducing reliance on advanced LLMs. Extensive experiments validate the effectiveness of our approach across models of varying scales and architectures.

Huacan Chai, Zijie Cao, Maolin Ran et al.

Large language models (LLMs) have achieved impressive success in single-turn function calling, yet real-world applications such as travel planning or multi-stage data analysis typically unfold across multi-turn conversations. In these settings, LLMs must not only issue accurate function calls at each step but also maintain progress awareness, the ability to summarize past interactions and plan future actions to ensure coherent, long-horizon task execution. Existing approaches, however, either reduce multi-turn training to isolated single-turn samples, which neglects task-level planning, or employ end-to-end reinforcement learning (RL) that struggles with redundancy and lacks explicit integration of progress awareness. To overcome these limitations, we introduce PARL-MT, a framework that explicitly incorporates progress awareness into LLM training for multi-turn function calling. PARL-MT combines (i) a Progress Awareness Generation (PAG) pipeline, which automatically constructs datasets coupling conversation summaries with future task planning, and (ii) a Progress Awareness-Guided Reinforcement Learning (PAG-RL) algorithm, which integrates progress awareness into RL training to reduce contextual redundancy and improve alignment between local actions and global task completion. Empirical results on two public benchmarks demonstrate that PARL-MT significantly outperforms existing methods, highlighting the effectiveness of progress awareness in enabling robust and efficient multi-turn function calling.

Zezhong Wang, Xingshan Zeng, Weiwen Liu et al.

Current research found the issue of Early Answering in large language models (LLMs), where the models already have an answer before generating the Chain-of-Thought (CoT). This phenomenon suggests a potential lack of necessary dependency between the predicted answer and the reasoning process. Consequently, two important questions arise: (1) Is CoT still necessary if the model already has an answer? (2) Can the correctness of the answer serve as valid evidence for the correctness of CoT? To address these questions, we propose a method, namely Chain-of-Probe (CoP), to probe changes in the mind during the model's reasoning. The probing results show that in a significant number of question-answer cases, CoT appears to be unnecessary, and this necessity correlates with the simplicity of the task, defined by reasoning steps required. Furthermore, by analyzing patterns in mind change, we examine the correctness of the model's reasoning. Our validation reveals that many responses, although correct in their final answer, contain errors in their reasoning process. To this end, we propose a strategic approach based on CoP to prioritize answers with correct reasoning among multiple candidates, thereby bolstering the reliability of the model's reasoning.

Guangyong Chen, Pengfei Chen, Chang-Yu Hsieh et al.

We introduce a new molecular dataset, named Alchemy, for developing machine learning models useful in chemistry and material science. As of June 20th 2019, the dataset comprises of 12 quantum mechanical properties of 119,487 organic molecules with up to 14 heavy atoms, sampled from the GDB MedChem database. The Alchemy dataset expands the volume and diversity of existing molecular datasets. Our extensive benchmarks of the state-of-the-art graph neural network models on Alchemy clearly manifest the usefulness of new data in validating and developing machine learning models for chemistry and material science. We further launch a contest to attract attentions from researchers in the related fields. More details can be found on the contest website \footnote{https://alchemy.tencent.com}. At the time of benchamrking experiment, we have generated 119,487 molecules in our Alchemy dataset. More molecular samples are generated since then. Hence, we provide a list of molecules used in the reported benchmarks.

Pengfei Chen, Weiwen Liu, Chang-Yu Hsieh et al.

Graph Neural Networks (GNNs) achieve an impressive performance on structured graphs by recursively updating the representation vector of each node based on its neighbors, during which parameterized transformation matrices should be learned for the node feature updating. However, existing propagation schemes are far from being optimal since they do not fully utilize the relational information between nodes. We propose the information maximizing graph neural networks (IGNN), which maximizes the mutual information between edge states and transform parameters. We reformulate the mutual information as a differentiable objective via a variational approach. We compare our model against several recent variants of GNNs and show that our model achieves the state-of-the-art performance on multiple tasks including quantum chemistry regression on QM9 dataset, generalization capability from QM9 to larger molecular graphs, and prediction of molecular bioactivities relevant for drug discovery. The IGNN model is based on an elegant and fundamental idea in information theory as explained in the main text, and it could be easily generalized beyond the contexts of molecular graphs considered in this work. To encourage more future work in this area, all datasets and codes used in this paper will be released for public access.