TFB: Towards Comprehensive and Fair Benchmarking of Time Series Forecasting Methods

Time series are generated in diverse domains such as economic, traffic, health, and energy, where forecasting of future values has numerous important applications. Not surprisingly, many forecasting methods are being proposed. To ensure progress, it is essential to be able to study and compare such methods empirically in a comprehensive and reliable manner. To achieve this, we propose TFB, an automated benchmark for Time Series Forecasting (TSF) methods. TFB advances the state-of-the-art by addressing shortcomings related to datasets, comparison methods, and evaluation pipelines: 1) insufficient coverage of data domains, 2) stereotype bias against traditional methods, and 3) inconsistent and inflexible pipelines. To achieve better domain coverage, we include datasets from 10 different domains: traffic, electricity, energy, the environment, nature, economic, stock markets, banking, health, and the web. We also provide a time series characterization to ensure that the selected datasets are comprehensive. To remove biases against some methods, we include a diverse range of methods, including statistical learning, machine learning, and deep learning methods, and we also support a variety of evaluation strategies and metrics to ensure a more comprehensive evaluations of different methods. To support the integration of different methods into the benchmark and enable fair comparisons, TFB features a flexible and scalable pipeline that eliminates biases. Next, we employ TFB to perform a thorough evaluation of 21 Univariate Time Series Forecasting (UTSF) methods on 8,068 univariate time series and 14 Multivariate Time Series Forecasting (MTSF) methods on 25 datasets. The benchmark code and data are available at https://github.com/decisionintelligence/TFB.

GenSTL: General Sparse Trajectory Learning via Auto-regressive Generation of Feature Domains

Trajectories are sequences of timestamped location samples. In sparse trajectories, the locations are sampled infrequently; and while such trajectories are prevalent in real-world settings, they are challenging to use to enable high-quality transportation-related applications. Current methodologies either assume densely sampled and accurately map-matched trajectories, or they rely on two-stage schemes, yielding sub-optimal applications. To extend the utility of sparse trajectories, we propose a novel sparse trajectory learning framework, GenSTL. The framework is pre-trained to form connections between sparse trajectories and dense counterparts using auto-regressive generation of feature domains. GenSTL can subsequently be applied directly in downstream tasks, or it can be fine-tuned first. This way, GenSTL eliminates the reliance on the availability of large-scale dense and map-matched trajectory data. The inclusion of a well-crafted feature domain encoding layer and a hierarchical masked trajectory encoder enhances GenSTL's learning capabilities and adaptability. Experiments on two real-world trajectory datasets offer insight into the framework's ability to contend with sparse trajectories with different sampling intervals and its versatility across different downstream tasks, thus offering evidence of its practicality in real-world applications.

Learning Time-aware Graph Structures for Spatially Correlated Time Series Forecasting

Spatio-temporal forecasting of future values of spatially correlated time series is important across many cyber-physical systems (CPS). Recent studies offer evidence that the use of graph neural networks to capture latent correlations between time series holds a potential for enhanced forecasting. However, most existing methods rely on pre-defined or self-learning graphs, which are either static or unintentionally dynamic, and thus cannot model the time-varying correlations that exhibit trends and periodicities caused by the regularity of the underlying processes in CPS. To tackle such limitation, we propose Time-aware Graph Structure Learning (TagSL), which extracts time-aware correlations among time series by measuring the interaction of node and time representations in high-dimensional spaces. Notably, we introduce time discrepancy learning that utilizes contrastive learning with distance-based regularization terms to constrain learned spatial correlations to a trend sequence. Additionally, we propose a periodic discriminant function to enable the capture of periodic changes from the state of nodes. Next, we present a Graph Convolution-based Gated Recurrent Unit (GCGRU) that jointly captures spatial and temporal dependencies while learning time-aware and node-specific patterns. Finally, we introduce a unified framework named Time-aware Graph Convolutional Recurrent Network (TGCRN), combining TagSL, and GCGRU in an encoder-decoder architecture for multi-step spatio-temporal forecasting. We report on experiments with TGCRN and popular existing approaches on five real-world datasets, thus providing evidence that TGCRN is capable of advancing the state-of-the-art. We also cover a detailed ablation study and visualization analysis, offering detailed insight into the effectiveness of time-aware structure learning.

LightPath: Lightweight and Scalable Path Representation Learning

Movement paths are used widely in intelligent transportation and smart city applications. To serve such applications, path representation learning aims to provide compact representations of paths that enable efficient and accurate operations when used for different downstream tasks such as path ranking and travel cost estimation. In many cases, it is attractive that the path representation learning is lightweight and scalable; in resource-limited environments and under green computing limitations, it is essential. Yet, existing path representation learning studies focus on accuracy and pay at most secondary attention to resource consumption and scalability. We propose a lightweight and scalable path representation learning framework, termed LightPath, that aims to reduce resource consumption and achieve scalability without affecting accuracy, thus enabling broader applicability. More specifically, we first propose a sparse auto-encoder that ensures that the framework achieves good scalability with respect to path length. Next, we propose a relational reasoning framework to enable faster training of more robust sparse path encoders. We also propose global-local knowledge distillation to further reduce the size and improve the performance of sparse path encoders. Finally, we report extensive experiments on two real-world datasets to offer insight into the efficiency, scalability, and effectiveness of the proposed framework.

Origin-Destination Travel Time Oracle for Map-based Services

Given an origin (O), a destination (D), and a departure time (T), an Origin-Destination (OD) travel time oracle~(ODT-Oracle) returns an estimate of the time it takes to travel from O to D when departing at T. ODT-Oracles serve important purposes in map-based services. To enable the construction of such oracles, we provide a travel-time estimation (TTE) solution that leverages historical trajectories to estimate time-varying travel times for OD pairs. The problem is complicated by the fact that multiple historical trajectories with different travel times may connect an OD pair, while trajectories may vary from one another. To solve the problem, it is crucial to remove outlier trajectories when doing travel time estimation for future queries. We propose a novel, two-stage framework called Diffusion-based Origin-destination Travel Time Estimation (DOT), that solves the problem. First, DOT employs a conditioned Pixelated Trajectories (PiT) denoiser that enables building a diffusion-based PiT inference process by learning correlations between OD pairs and historical trajectories. Specifically, given an OD pair and a departure time, we aim to infer a PiT. Next, DOT encompasses a Masked Vision Transformer~(MViT) that effectively and efficiently estimates a travel time based on the inferred PiT. We report on extensive experiments on two real-world datasets that offer evidence that DOT is capable of outperforming baseline methods in terms of accuracy, scalability, and explainability.

A Crystal-Specific Pre-Training Framework for Crystal Material Property Prediction

Crystal property prediction is a crucial aspect of developing novel materials. However, there are two technical challenges to be addressed for speeding up the investigation of crystals. First, labeling crystal properties is intrinsically difficult due to the high cost and time involved in physical simulations or lab experiments. Second, crystals adhere to a specific quantum chemical principle known as periodic invariance, which is often not captured by existing machine learning methods. To overcome these challenges, we propose the crystal-specific pre-training framework for learning crystal representations with self-supervision. The framework designs a mutex mask strategy for enhancing representation learning so as to alleviate the limited labels available for crystal property prediction. Moreover, we take into account the specific periodic invariance in crystal structures by developing a periodic invariance multi-graph module and periodic attribute learning within our framework. This framework has been tested on eight different tasks. The experimental results on these tasks show that the framework achieves promising prediction performance and is able to outperform recent strong baselines.

Weakly-supervised Temporal Path Representation Learning with Contrastive Curriculum Learning -- Extended Version

In step with the digitalization of transportation, we are witnessing a growing range of path-based smart-city applications, e.g., travel-time estimation and travel path ranking. A temporal path(TP) that includes temporal information, e.g., departure time, into the path is fundamental to enable such applications. In this setting, it is essential to learn generic temporal path representations(TPRs) that consider spatial and temporal correlations simultaneously and that can be used in different applications, i.e., downstream tasks. Existing methods fail to achieve the goal since (i) supervised methods require large amounts of task-specific labels when training and thus fail to generalize the obtained TPRs to other tasks; (ii) through unsupervised methods can learn generic representations, they disregard the temporal aspect, leading to sub-optimal results. To contend with the limitations of existing solutions, we propose a Weakly-Supervised Contrastive (WSC) learning model. We first propose a temporal path encoder that encodes both the spatial and temporal information of a temporal path into a TPR. To train the encoder, we introduce weak labels that are easy and inexpensive to obtain and are relevant to different tasks, e.g., temporal labels indicating peak vs. off-peak hours from departure times. Based on the weak labels, we construct meaningful positive and negative temporal path samples by considering both spatial and temporal information, which facilities training the encoder using contrastive learning by pulling closer to the positive samples' representations while pushing away the negative samples' representations. To better guide contrastive learning, we propose a learning strategy based on Curriculum Learning such that the learning performs from easy to hard training instances. Experiments studies verify the effectiveness of the proposed method.

BaLeNAS: Differentiable Architecture Search via the Bayesian Learning Rule

Differentiable Architecture Search (DARTS) has received massive attention in recent years, mainly because it significantly reduces the computational cost through weight sharing and continuous relaxation. However, more recent works find that existing differentiable NAS techniques struggle to outperform naive baselines, yielding deteriorative architectures as the search proceeds. Rather than directly optimizing the architecture parameters, this paper formulates the neural architecture search as a distribution learning problem through relaxing the architecture weights into Gaussian distributions. By leveraging the natural-gradient variational inference (NGVI), the architecture distribution can be easily optimized based on existing codebases without incurring more memory and computational consumption. We demonstrate how the differentiable NAS benefits from Bayesian principles, enhancing exploration and improving stability. The experimental results on NAS-Bench-201 and NAS-Bench-1shot1 benchmark datasets confirm the significant improvements the proposed framework can make. In addition, instead of simply applying the argmax on the learned parameters, we further leverage the recently-proposed training-free proxies in NAS to select the optimal architecture from a group architectures drawn from the optimized distribution, where we achieve state-of-the-art results on the NAS-Bench-201 and NAS-Bench-1shot1 benchmarks. Our best architecture in the DARTS search space also obtains competitive test errors with 2.37\%, 15.72\%, and 24.2\% on CIFAR-10, CIFAR-100, and ImageNet datasets, respectively.