Active Sequential Posterior Estimation for Sample-Efficient Simulation-Based Inference

Computer simulations have long presented the exciting possibility of scientific insight into complex real-world processes. Despite the power of modern computing, however, it remains challenging to systematically perform inference under simulation models. This has led to the rise of simulation-based inference (SBI), a class of machine learning-enabled techniques for approaching inverse problems with stochastic simulators. Many such methods, however, require large numbers of simulation samples and face difficulty scaling to high-dimensional settings, often making inference prohibitive under resource-intensive simulators. To mitigate these drawbacks, we introduce active sequential neural posterior estimation (ASNPE). ASNPE brings an active learning scheme into the inference loop to estimate the utility of simulation parameter candidates to the underlying probabilistic model. The proposed acquisition scheme is easily integrated into existing posterior estimation pipelines, allowing for improved sample efficiency with low computational overhead. We further demonstrate the effectiveness of the proposed method in the travel demand calibration setting, a high-dimensional inverse problem commonly requiring computationally expensive traffic simulators. Our method outperforms well-tuned benchmarks and state-of-the-art posterior estimation methods on a large-scale real-world traffic network, as well as demonstrates a performance advantage over non-active counterparts on a suite of SBI benchmark environments.

Scalable Learning of Segment-Level Traffic Congestion Functions

We propose and study a data-driven framework for identifying traffic congestion functions (numerical relationships between observations of macroscopic traffic variables) at global scale and segment-level granularity. In contrast to methods that estimate a separate set of parameters for each roadway, ours learns a single black-box function over all roadways in a metropolitan area. First, we pool traffic data from all segments into one dataset, combining static attributes with dynamic time-dependent features. Second, we train a feed-forward neural network on this dataset, which we can then use on any segment in the area. We evaluate how well our framework identifies congestion functions on observed segments and how it generalizes to unobserved segments and predicts segment attributes on a large dataset covering multiple cities worldwide. For identification error on observed segments, our single data-driven congestion function compares favorably to segment-specific model-based functions on highway roads, but has room to improve on arterial roads. For generalization, our approach shows strong performance across cities and road types: both on unobserved segments in the same city and on zero-shot transfer learning between cities. Finally, for predicting segment attributes, we find that our approach can approximate critical densities for individual segments using their static properties.