arXiv:2604.21830cs.LGcs.HC2026-04

可视化生成流网络训练过程,揭示采样轨迹与策略演变。

GFlowState: Visualizing the Training of Generative Flow Networks Beyond the Reward

论文配图:GFlowState: Visualizing the Training of Generative Flow Networks Beyond the Reward
图 1 · 摘自论文原文
  • 通过多视图可视化分析采样路径与状态转移
  • 可识别未探索区域和训练失败根源
  • 适合开发者调试分子材料生成模型

我们提出 GFlowState,一个用于解析生成流网络(GFlowNets)训练过程的可视化分析系统。GFlowNets 是一种基于概率框架的生成方法,能按奖励函数比例生成样本,在分子和材料发现等应用中表现优异,但其训练动态难以解释。现有工具仅支持指标追踪,无法揭示模型如何探索样本空间、构建采样路径或调整采样概率。GFlowState 引入候选排名图、状态投影、轨迹网络节点-链接图及转移热力图等多视图,使开发者和用户能够分析采样行为与策略演化,识别未探索区域与训练故障点。案例研究显示,该系统在跨领域中有效支持 GFlowNet 的调试与质量评估。通过使 GFlowNets 的结构动态可观察,本工作显著提升了其可解释性,有望加速实际开发进程。

原文摘要 · Abstract (English)

We present GFlowState, a visual analytics system designed to illuminate the training process of Generative Flow Networks (GFlowNets or GFNs). GFlowNets are a probabilistic framework for generating samples proportionally to a reward function. While GFlowNets have proved to be powerful tools in applications such as molecule and material discovery, their training dynamics remain difficult to interpret. Standard machine learning tools allow metric tracking but do not reveal how models explore the sample space, construct sample trajectories, or shift sampling probabilities during training. Our solution, GFlowState, allows users to analyze sampling trajectories, compare the sample space relative to reference datasets, and analyze the training dynamics. To this end, we introduce multiple views, including a chart of candidate rankings, a state projection, a node-link diagram of the trajectory network, and a transition heatmap. These visualizations enable GFlowNet developers and users to investigate sampling behavior and policy evolution, and to identify underexplored regions and sources of training failure. Case studies demonstrate how the system supports debugging and assessing the quality of GFlowNets across application domains. By making the structural dynamics of GFlowNets observable, our work enhances their interpretability and can accelerate GFlowNet development in practice.

生成模型可视化可解释性

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