Chuhan Yang

Linhan Wu, Chenxi Wang, Chuhan Yang et al.

Inverse design of materials has significantly advanced target-driven formulation optimization, yet existing materials machine learning benchmarks remain limited to forward property prediction, failing to systematically evaluate inverse optimization and generation algorithms, a critical gap that hinders the progress of target-driven materials design. To address this limitation, we propose MatFormBench, a novel benchmarking ecosystem tailored to evaluate and guide generative strategies for target-driven formulation. MatFormBench integrates a physics-driven formulation generation scheme to generate synthetic samples that faithfully emulate realistic materials structure-property response relationships, complemented by five escalating difficulty levels to quantify the complexity of these relationships. To rigorously assess algorithm performance, we further propose MatFormScore, a multi-dimensional metric that comprehensively quantifies performance across five critical axes: target success, search efficiency, exploratory capacity, robustness, and stability. We validate MatFormBench by evaluating 39 diverse inverse design algorithms, covering classical surrogate-assisted black-box search, state-of-the-art deep generative models, and increasingly popular Large Language Model (LLM)-based recommendation strategies. Across 1170 standardized algorithm-task evaluations, diffusion-based models demonstrate the strongest overall performance, while Variational Autoencoder (VAE)-based and Genetic Algorithm (GA)-based methods exhibit distinct advantages in specific scenarios. By establishing a unified evaluation standard for target-driven materials formulation, MatFormBench enables reproducible benchmarking, principled algorithm comparison, and diagnostic analysis of inverse design strategies, providing a foundational tool for advancing materials inverse design.

Chuhan Yang, Sai Venkata Ramana Ambadipudi, Saif Eddin Jabari

The adaptive smoothing method (ASM) is a standard data-driven technique used in traffic state estimation. The ASM has free parameters which, in practice, are chosen to be some generally acceptable values based on intuition. However, we note that the heuristically chosen values often result in un-physical predictions by the ASM. In this work, we propose a neural network based on the ASM which tunes those parameters automatically by learning from sparse data from road sensors. We refer to it as the adaptive smoothing neural network (ASNN). We also propose a modified ASNN (MASNN), which makes it a strong learner by using ensemble averaging. The ASNN and MASNN are trained and tested two real-world datasets. Our experiments reveal that the ASNN and the MASNN outperform the conventional ASM.

Chuhan Yang, Fares B. Mehouachi, Monica Menendez et al.

Predicting traffic flow in data-scarce cities is challenging due to limited historical data. To address this, we leverage transfer learning by identifying periodic patterns common to data-rich cities using a customized variant of Dynamic Mode Decomposition (DMD): constrained Hankelized DMD (TrHDMD). This method uncovers common eigenmodes (urban heartbeats) in traffic patterns and transfers them to data-scarce cities, significantly enhancing prediction performance. TrHDMD reduces the need for extensive training datasets by utilizing prior knowledge from other cities. By applying Koopman operator theory to multi-city loop detector data, we identify stable, interpretable, and time-invariant traffic modes. Injecting ``urban heartbeats'' into forecasting tasks improves prediction accuracy and has the potential to enhance traffic management strategies for cities with varying data infrastructures. Our work introduces cross-city knowledge transfer via shared Koopman eigenmodes, offering actionable insights and reliable forecasts for data-scarce urban environments.

Wenqing Li, Chuhan Yang, Saif Eddin Jabari

This paper develops a data-driven toolkit for traffic forecasting using high-resolution (a.k.a. event-based) traffic data. This is the raw data obtained from fixed sensors in urban roads. Time series of such raw data exhibit heavy fluctuations from one time step to the next (typically on the order of 0.1-1 second). Short-term forecasts (10-30 seconds into the future) of traffic conditions are critical for traffic operations applications (e.g., adaptive signal control). But traffic forecasting tools in the literature deal predominantly with 3-5 minute aggregated data, where the typical signal cycle is on the order of 2 minutes. This renders such forecasts useless at the operations level. To this end, we model the traffic forecasting problem as a matrix completion problem, where the forecasting inputs are mapped to a higher dimensional space using kernels. The formulation allows us to capture both nonlinear dependencies between forecasting inputs and outputs but also allows us to capture dependencies among the inputs. These dependencies correspond to correlations between different locations in the network. We further employ adaptive boosting to enhance the training accuracy and capture historical patterns in the data. The performance of the proposed methods is verified using high-resolution data obtained from a real-world traffic network in Abu Dhabi, UAE. Our experimental results show that the proposed method outperforms other state-of-the-art algorithms.

Wenqing Li, Chuhan Yang, Saif Eddin Jabari

This paper addresses the problem of short-term traffic prediction for signalized traffic operations management. Specifically, we focus on predicting sensor states in high-resolution (second-by-second). This contrasts with traditional traffic forecasting problems, which have focused on predicting aggregated traffic variables, typically over intervals that are no shorter than 5 minutes. Our contributions can be summarized as offering three insights: first, we show how the prediction problem can be modeled as a matrix completion problem. Second, we employ a block-coordinate descent algorithm and demonstrate that the algorithm converges in sub-linear time to a block coordinate-wise optimizer. This allows us to capitalize on the "bigness" of high-resolution data in a computationally feasible way. Third, we develop an ensemble learning (or adaptive boosting) approach to reduce the training error to within any arbitrary error threshold. The latter utilizes past days so that the boosting can be interpreted as capturing periodic patterns in the data. The performance of the proposed method is analyzed theoretically and tested empirically using both simulated data and a real-world high-resolution traffic dataset from Abu Dhabi, UAE. Our experimental results show that the proposed method outperforms other state-of-the-art algorithms.