Xinyi Xu

Xiaoqiang Lin, Xinyi Xu, See-Kiong Ng et al.

In collaborative learning with streaming data, nodes (e.g., organizations) jointly and continuously learn a machine learning (ML) model by sharing the latest model updates computed from their latest streaming data. For the more resourceful nodes to be willing to share their model updates, they need to be fairly incentivized. This paper explores an incentive design that guarantees fairness so that nodes receive rewards commensurate to their contributions. Our approach leverages an explore-then-exploit formulation to estimate the nodes' contributions (i.e., exploration) for realizing our theoretically guaranteed fair incentives (i.e., exploitation). However, we observe a "rich get richer" phenomenon arising from the existing approaches to guarantee fairness and it discourages the participation of the less resourceful nodes. To remedy this, we additionally preserve asymptotic equality, i.e., less resourceful nodes achieve equal performance eventually to the more resourceful/"rich" nodes. We empirically demonstrate in two settings with real-world streaming data: federated online incremental learning and federated reinforcement learning, that our proposed approach outperforms existing baselines in fairness and learning performance while remaining competitive in preserving equality.

Yanlin Wang, Xinyi Xu, Jiachi Chen et al.

The rise of large language models (LLMs) has sparked a surge of interest in agents, leading to the rapid growth of agent frameworks. Agent frameworks are software toolkits and libraries that provide standardized components, abstractions, and orchestration mechanisms to simplify agent development. Despite widespread use of agent frameworks, their practical applications and how they influence the agent development process remain underexplored. Different agent frameworks encounter similar problems during use, indicating that these recurring issues deserve greater attention and call for further improvements in agent framework design. Meanwhile, as the number of agent frameworks continues to grow and evolve, more than 80% of developers report difficulties in identifying the frameworks that best meet their specific development requirements. In this paper, we conduct the first empirical study of LLM-based agent frameworks, exploring real-world experiences of developers in building AI agents. To compare how well the agent frameworks meet developer needs, we further collect developer discussions for the ten previously identified agent frameworks, resulting in a total of 11,910 discussions. Finally, by analyzing these discussions, we compare the frameworks across five dimensions: development efficiency, functional abstraction, learning cost, performance optimization, and maintainability, which refers to how easily developers can update and extend both the framework itself and the agents built upon it over time. Our comparative analysis reveals significant differences among frameworks in how they meet the needs of agent developers. Overall, we provide a set of findings and implications for the LLM-driven AI agent framework ecosystem and offer insights for the design of future LLM-based agent frameworks and agent developers.

Zhao Xu, Youzhi Luo, Xuan Zhang et al.

Graph neural networks are emerging as promising methods for modeling molecular graphs, in which nodes and edges correspond to atoms and chemical bonds, respectively. Recent studies show that when 3D molecular geometries, such as bond lengths and angles, are available, molecular property prediction tasks can be made more accurate. However, computing of 3D molecular geometries requires quantum calculations that are computationally prohibitive. For example, accurate calculation of 3D geometries of a small molecule requires hours of computing time using density functional theory (DFT). Here, we propose to predict the ground-state 3D geometries from molecular graphs using machine learning methods. To make this feasible, we develop a benchmark, known as Molecule3D, that includes a dataset with precise ground-state geometries of approximately 4 million molecules derived from DFT. We also provide a set of software tools for data processing, splitting, training, and evaluation, etc. Specifically, we propose to assess the error and validity of predicted geometries using four metrics. We implement two baseline methods that either predict the pairwise distance between atoms or atom coordinates in 3D space. Experimental results show that, compared with generating 3D geometries with RDKit, our method can achieve comparable prediction accuracy but with much smaller computational costs. Our Molecule3D is available as a module of the MoleculeX software library (https://github.com/divelab/MoleculeX).

Rachael Hwee Ling Sim, Yehong Zhang, Trong Nghia Hoang et al.

Collaborative machine learning involves training models on data from multiple parties but must incentivize their participation. Existing data valuation methods fairly value and reward each party based on shared data or model parameters but neglect the privacy risks involved. To address this, we introduce differential privacy (DP) as an incentive. Each party can select its required DP guarantee and perturb its sufficient statistic (SS) accordingly. The mediator values the perturbed SS by the Bayesian surprise it elicits about the model parameters. As our valuation function enforces a privacy-valuation trade-off, parties are deterred from selecting excessive DP guarantees that reduce the utility of the grand coalition's model. Finally, the mediator rewards each party with different posterior samples of the model parameters. Such rewards still satisfy existing incentives like fairness but additionally preserve DP and a high similarity to the grand coalition's posterior. We empirically demonstrate the effectiveness and practicality of our approach on synthetic and real-world datasets.

Zengzhuang Xu, Bingguang Hao, Zechuan Wang et al.

Function calling (FC) empowers large language models (LLMs) and autonomous agents to interface with external tools, a critical capability for solving complex, real-world problems. As this ability becomes increasingly central to advanced AI systems, the need for high-quality, multi-turn training data to develop and refine it cannot be overstated. Existing data synthesis methods, such as random environment sampling or multi-agent role-playing, are not powerful enough to generate high-quality data in real-world environments. Practical challenges come in three folds: targeted data synthesis, hard query construction, and multi-turn logical dependency. To address these structural deficiencies, we present FunReason-MT, a novel data synthesis framework for real-world multi-turn tool use. FunReason-MT resolves the complexity barrier in multi-turn FC data by employing 1) Environment-API Graph Interactions to gather varied high-quality trajectories with targeted tool, 2) Advanced Tool-Query Synthesis to simplify hard query construction, and 3) Guided Iterative Chain for sophisticated CoT generation. Evaluations on Berkeley Function-Calling Leaderboard (BFCLv3) demonstrate the power of our framework: a 4B model built upon FunReason-MT generated data achieves state-of-the-art performance among comparable-sized models. Further performance improvements on BFCLv4 confirm that FunReason-MT provides a reliable and robust source for agentic learning.

Xinyi Xu, Lingjuan Lyu

Federated learning (FL) is an emerging practical framework for effective and scalable machine learning among multiple participants, such as end users, organizations and companies. However, most existing FL or distributed learning frameworks have not well addressed two important issues together: collaborative fairness and adversarial robustness (e.g. free-riders and malicious participants). In conventional FL, all participants receive the global model (equal rewards), which might be unfair to the high-contributing participants. Furthermore, due to the lack of a safeguard mechanism, free-riders or malicious adversaries could game the system to access the global model for free or to sabotage it. In this paper, we propose a novel Robust and Fair Federated Learning (RFFL) framework to achieve collaborative fairness and adversarial robustness simultaneously via a reputation mechanism. RFFL maintains a reputation for each participant by examining their contributions via their uploaded gradients (using vector similarity) and thus identifies non-contributing or malicious participants to be removed. Our approach differentiates itself by not requiring any auxiliary/validation dataset. Extensive experiments on benchmark datasets show that RFFL can achieve high fairness and is very robust to different types of adversaries while achieving competitive predictive accuracy.

Lingjuan Lyu, Xinyi Xu, Qian Wang

In current deep learning paradigms, local training or the Standalone framework tends to result in overfitting and thus poor generalizability. This problem can be addressed by Distributed or Federated Learning (FL) that leverages a parameter server to aggregate model updates from individual participants. However, most existing Distributed or FL frameworks have overlooked an important aspect of participation: collaborative fairness. In particular, all participants can receive the same or similar models, regardless of their contributions. To address this issue, we investigate the collaborative fairness in FL, and propose a novel Collaborative Fair Federated Learning (CFFL) framework which utilizes reputation to enforce participants to converge to different models, thus achieving fairness without compromising the predictive performance. Extensive experiments on benchmark datasets demonstrate that CFFL achieves high fairness, delivers comparable accuracy to the Distributed framework, and outperforms the Standalone framework.

Xinyi Xu, Tiancheng Huang, Pengfei Wei et al.

This work is inspired by recent advances in hierarchical reinforcement learning (HRL) (Barto and Mahadevan 2003; Hengst 2010), and improvements in learning efficiency from heuristic-based subgoal selection, experience replay (Lin 1993; Andrychowicz et al. 2017), and task-based curriculum learning (Bengio et al. 2009; Zaremba and Sutskever 2014). We propose a new method to integrate HRL, experience replay and effective subgoal selection through an implicit curriculum design based on human expertise to support sample-efficient learning and enhance interpretability of the agent's behavior. Human expertise remains indispensable in many areas such as medicine (Buch, Ahmed, and Maruthappu 2018) and law (Cath 2018), where interpretability, explainability and transparency are crucial in the decision making process, for ethical and legal reasons. Our method simplifies the complex task sets for achieving the overall objectives by decomposing them into subgoals at different levels of abstraction. Incorporating relevant subjective knowledge also significantly reduces the computational resources spent in exploration for RL, especially in high speed, changing, and complex environments where the transition dynamics cannot be effectively learned and modelled in a short time. Experimental results in two StarCraft II (SC2) (Vinyals et al. 2017) minigames demonstrate that our method can achieve better sample efficiency than flat and end-to-end RL methods, and provides an effective method for explaining the agent's performance.