We present a general purpose probabilistic forecasting framework, ProbHardE2E, to learn systems that can incorporate operational/physical constraints as hard requirements. ProbHardE2E enforces hard constraints by exploiting variance information in a novel way; and thus it is also capable of performing uncertainty quantification (UQ) on the model. Our methodology uses a novel differentiable probabilistic projection layer (DPPL) that can be combined with a wide range of neural network architectures. This DPPL allows the model to learn the system in an end-to-end manner, compared to other approaches where the constraints are satisfied either through a post-processing step or at inference. In addition, ProbHardE2E can optimize a strictly proper scoring rule, without making any distributional assumptions on the target, which enables it to obtain robust distributional estimates (in contrast to existing approaches that generally optimize likelihood-based objectives, which are heavily biased by their distributional assumptions and model choices); and it can incorporate a range of non-linear constraints (increasing the power of modeling and flexibility). We apply ProbHardE2E to problems in learning partial differential equations with uncertainty estimates and to probabilistic time-series forecasting, showcasing it as a broadly applicable general setup that connects these seemingly disparate domains.
Probabilistic Time Series Forecasting (PTSF) plays a crucial role in decision-making across various fields, including economics, energy, and transportation. Most existing methods excell at short-term forecasting, while overlooking the hurdles of Long-term Probabilistic Time Series Forecasting (LPTSF). As the forecast horizon extends, the inherent nonlinear dynamics have a significant adverse effect on prediction accuracy, and make generative models inefficient by increasing the cost of each iteration. To overcome these limitations, we introduce $K^2$VAE, an efficient VAE-based generative model that leverages a KoopmanNet to transform nonlinear time series into a linear dynamical system, and devises a KalmanNet to refine predictions and model uncertainty in such linear system, which reduces error accumulation in long-term forecasting. Extensive experiments demonstrate that $K^2$VAE outperforms state-of-the-art methods in both short- and long-term PTSF, providing a more efficient and accurate solution.
We propose the Fourier Adaptive Lite Diffusion Architecture (FALDA), a novel probabilistic framework for time series forecasting. First, we introduce the Diffusion Model for Residual Regression (DMRR) framework, which unifies diffusion-based probabilistic regression methods. Within this framework, FALDA leverages Fourier-based decomposition to incorporate a component-specific architecture, enabling tailored modeling of individual temporal components. A conditional diffusion model is utilized to estimate the future noise term, while our proposed lightweight denoiser, DEMA (Decomposition MLP with AdaLN), conditions on the historical noise term to enhance denoising performance. Through mathematical analysis and empirical validation, we demonstrate that FALDA effectively reduces epistemic uncertainty, allowing probabilistic learning to primarily focus on aleatoric uncertainty. Experiments on six real-world benchmarks demonstrate that FALDA consistently outperforms existing probabilistic forecasting approaches across most datasets for long-term time series forecasting while achieving enhanced computational efficiency without compromising accuracy. Notably, FALDA also achieves superior overall performance compared to state-of-the-art (SOTA) point forecasting approaches, with improvements of up to 9%.
Due to the dynamics of underlying physics and external influences, the uncertainty of time series often varies over time. However, existing Denoising Diffusion Probabilistic Models (DDPMs) often fail to capture this non-stationary nature, constrained by their constant variance assumption from the additive noise model (ANM). In this paper, we innovatively utilize the Location-Scale Noise Model (LSNM) to relax the fixed uncertainty assumption of ANM. A diffusion-based probabilistic forecasting framework, termed Non-stationary Diffusion (NsDiff), is designed based on LSNM that is capable of modeling the changing pattern of uncertainty. Specifically, NsDiff combines a denoising diffusion-based conditional generative model with a pre-trained conditional mean and variance estimator, enabling adaptive endpoint distribution modeling. Furthermore, we propose an uncertainty-aware noise schedule, which dynamically adjusts the noise levels to accurately reflect the data uncertainty at each step and integrates the time-varying variances into the diffusion process. Extensive experiments conducted on nine real-world and synthetic datasets demonstrate the superior performance of NsDiff compared to existing approaches. Code is available at https://github.com/wwy155/NsDiff.
Predicting the time series of future evolutions of renewable injections and demands is of utmost importance for the operation of power systems. However, the current state of the art is mostly focused on mean-value time series predictions and only very few methods provide probabilistic forecasts. In this paper, we rely on kernel density estimation and vine copulas to construct probabilistic models for individual load profiles of private households. Our approach allows the quantification of variability of individual energy consumption in general and of daily peak loads in particular. We draw upon an Australian distribution grid dataset to illustrate our findings. We generate synthetic loads that follow the distribution of the real data.
Active QoS metric prediction, commonly employed in the maintenance and operation of DTN, could enhance network performance regarding latency, throughput, energy consumption, and dependability. Naturally formulated as a multivariate time series forecasting problem, it attracts substantial research efforts. Traditional mean regression methods for time series forecasting cannot capture the data complexity adequately, resulting in deteriorated performance in operational tasks in DTNs such as routing. This paper formulates the prediction of QoS metrics in DTN as a probabilistic forecasting problem on multivariate time series, where one could quantify the uncertainty of forecasts by characterizing the distribution of these samples. The proposed approach hires diffusion models and incorporates the latent temporal dynamics of non-stationary and multi-mode data into them. Extensive experiments demonstrate the efficacy of the proposed approach by showing that it outperforms the popular probabilistic time series forecasting methods.
State space models, such as Mamba, have recently garnered attention in time series forecasting due to their ability to capture sequence patterns. However, in electricity consumption benchmarks, Mamba forecasts exhibit a mean error of approximately 8\%. Similarly, in traffic occupancy benchmarks, the mean error reaches 18\%. This discrepancy leaves us to wonder whether the prediction is simply inaccurate or falls within error given spread in historical data. To address this limitation, we propose a method to quantify the predictive uncertainty of Mamba forecasts. Here, we propose a dual-network framework based on the Mamba architecture for probabilistic forecasting, where one network generates point forecasts while the other estimates predictive uncertainty by modeling variance. We abbreviate our tool, Mamba with probabilistic time series forecasting, as Mamba-ProbTSF and the code for its implementation is available on GitHub (https://github.com/PessoaP/Mamba-ProbTSF). Evaluating this approach on synthetic and real-world benchmark datasets, we find Kullback-Leibler divergence between the learned distributions and the data--which, in the limit of infinite data, should converge to zero if the model correctly captures the underlying probability distribution--reduced to the order of $10^{-3}$ for synthetic data and $10^{-1}$ for real-world benchmark, demonstrating its effectiveness. We find that in both the electricity consumption and traffic occupancy benchmark, the true trajectory stays within the predicted uncertainty interval at the two-sigma level about 95\% of the time. We end with a consideration of potential limitations, adjustments to improve performance, and considerations for applying this framework to processes for purely or largely stochastic dynamics where the stochastic changes accumulate, as observed for example in pure Brownian motion or molecular dynamics trajectories.
Despite the significance of probabilistic time-series forecasting models, their evaluation metrics often involve intractable integrations. The most widely used metric, the continuous ranked probability score (CRPS), is a strictly proper scoring function; however, its computation requires approximation. We found that popular CRPS estimators--specifically, the quantile-based estimator implemented in the widely used GluonTS library and the probability-weighted moment approximation--both exhibit inherent estimation biases. These biases lead to crude approximations, resulting in improper rankings of forecasting model performance when CRPS values are close. To address this issue, we introduced a kernel quadrature approach that leverages an unbiased CRPS estimator and employs cubature construction for scalable computation. Empirically, our approach consistently outperforms the two widely used CRPS estimators.
The signature kernel is a kernel between time series of arbitrary length and comes with strong theoretical guarantees from stochastic analysis. It has found applications in machine learning such as covariance functions for Gaussian processes. A strength of the underlying signature features is that they provide a structured global description of a time series. However, this property can quickly become a curse when local information is essential and forgetting is required; so far this has only been addressed with ad-hoc methods such as slicing the time series into subsegments. To overcome this, we propose a principled, data-driven approach by introducing a novel forgetting mechanism for signatures. This allows the model to dynamically adapt its context length to focus on more recent information. To achieve this, we revisit the recently introduced Random Fourier Signature Features, and develop Random Fourier Decayed Signature Features (RFDSF) with Gaussian processes (GPs). This results in a Bayesian time series forecasting algorithm with variational inference, that offers a scalable probabilistic algorithm that processes and transforms a time series into a joint predictive distribution over time steps in one pass using recurrence. For example, processing a sequence of length $10^4$ steps in $\approx 10^{-2}$ seconds and in $< 1\text{GB}$ of GPU memory. We demonstrate that it outperforms other GP-based alternatives and competes with state-of-the-art probabilistic time series forecasting algorithms.
Multivariate Gaussian (MVG) distributions are central to modeling correlated continuous variables in probabilistic forecasting. Neural forecasting models typically parameterize the mean vector and covariance matrix of the distribution using neural networks, optimizing with the log-score (negative log-likelihood) as the loss function. However, the sensitivity of the log-score to outliers can lead to significant errors in the presence of anomalies. Drawing on the continuous ranked probability score (CRPS) for univariate distributions, we propose MVG-CRPS, a strictly proper scoring rule for MVG distributions. MVG-CRPS admits a closed-form expression in terms of neural network outputs, thereby integrating seamlessly into deep learning frameworks. Experiments on real-world datasets across multivariate autoregressive and univariate sequence-to-sequence (Seq2Seq) forecasting tasks show that MVG-CRPS improves robustness, accuracy, and uncertainty quantification in probabilistic forecasting.
Flow matching has recently emerged as a powerful paradigm for generative modeling and has been extended to probabilistic time series forecasting in latent spaces. However, the impact of the specific choice of probability path model on forecasting performance remains under-explored. In this work, we demonstrate that forecasting spatio-temporal data with flow matching is highly sensitive to the selection of the probability path model. Motivated by this insight, we propose a novel probability path model designed to improve forecasting performance. Our empirical results across various dynamical system benchmarks show that our model achieves faster convergence during training and improved predictive performance compared to existing probability path models. Importantly, our approach is efficient during inference, requiring only a few sampling steps. This makes our proposed model practical for real-world applications and opens new avenues for probabilistic forecasting.
Recent advancements in generative modeling, particularly diffusion models, have opened new directions for time series modeling, achieving state-of-the-art performance in forecasting and synthesis. However, the reliance of diffusion-based models on a simple, fixed prior complicates the generative process since the data and prior distributions differ significantly. We introduce TSFlow, a conditional flow matching (CFM) model for time series combining Gaussian processes, optimal transport paths, and data-dependent prior distributions. By incorporating (conditional) Gaussian processes, TSFlow aligns the prior distribution more closely with the temporal structure of the data, enhancing both unconditional and conditional generation. Furthermore, we propose conditional prior sampling to enable probabilistic forecasting with an unconditionally trained model. In our experimental evaluation on eight real-world datasets, we demonstrate the generative capabilities of TSFlow, producing high-quality unconditional samples. Finally, we show that both conditionally and unconditionally trained models achieve competitive results across multiple forecasting benchmarks.
Forecasting faithful trajectories of multivariate time series from practical scopes is essential for reasonable decision-making. Recent methods majorly tailor generative conditional diffusion models to estimate the target temporal predictive distribution. However, it remains an obstacle to enhance the exploitation efficiency of given implicit temporal predictive information to bolster conditional diffusion learning. To this end, we propose a generic channel-aware Contrastive Conditional Diffusion model entitled CCDM to achieve desirable Multivariate probabilistic forecasting, obviating the need for curated temporal conditioning inductive biases. In detail, we first design a channel-centric conditional denoising network to manage intra-variate variations and cross-variate correlations, which can lead to scalability on diverse prediction horizons and channel numbers. Then, we devise an ad-hoc denoising-based temporal contrastive learning to explicitly amplify the predictive mutual information between past observations and future forecasts. It can coherently complement naive step-wise denoising diffusion training and improve the forecasting accuracy and generality on unknown test time series. Besides, we offer theoretic insights on the benefits of such auxiliary contrastive training refinement from both neural mutual information and temporal distribution generalization aspects. The proposed CCDM can exhibit superior forecasting capability compared to current state-of-the-art diffusion forecasters over a comprehensive benchmark, with best MSE and CRPS outcomes on $66.67\%$ and $83.33\%$ cases. Our code is publicly available at https://github.com/LSY-Cython/CCDM.
Residential load forecasting (RLF) is critical for power system operations. Different from traditional system-level load forecasting, studying RLF faces the challenges of high uncertainty. Besides, learning temporal dynamics within the residential load sequences is important. However, existing methods fail to effectively tackle the fore-mentioned challenges simultaneously. In this article, a deep kernel is proposed by integrating the deep soft Spiking Neural Networks (sSNN), which is then applied to perform Gaussian Process (GP) regression. The constructed regressor investigates the temporal dynamics within the residential load sequence and retains the probabilistic advantages for uncertainty estimates. Furthermore, to better address the high uncertainty of RLF, a learning scheme combing both offline and online learning is specifically developed for the regressor. Such a learning scheme contributes to fully exploring historical information while learning the uncertainty from real-time data. The effectiveness of the proposed method is demonstrated on three public and actual residential load datasets.
In learning-enabled autonomous systems, safety monitoring of learned components is crucial to ensure their outputs do not lead to system safety violations, given the operational context of the system. However, developing a safety monitor for practical deployment in real-world applications is challenging. This is due to limited access to internal workings and training data of the learned component. Furthermore, safety monitors should predict safety violations with low latency, while consuming a reasonable amount of computation. To address the challenges, we propose a safety monitoring method based on probabilistic time series forecasting. Given the learned component outputs and an operational context, we empirically investigate different Deep Learning (DL)-based probabilistic forecasting to predict the objective measure capturing the satisfaction or violation of a safety requirement (safety metric). We empirically evaluate safety metric and violation prediction accuracy, and inference latency and resource usage of four state-of-the-art models, with varying horizons, using autonomous aviation and autonomous driving case studies. Our results suggest that probabilistic forecasting of safety metrics, given learned component outputs and scenarios, is effective for safety monitoring. Furthermore, for both case studies, Temporal Fusion Transformer (TFT) was the most accurate model for predicting imminent safety violations, with acceptable latency and resource consumption.
This paper presents VAEneu, an innovative autoregressive method for multistep ahead univariate probabilistic time series forecasting. We employ the conditional VAE framework and optimize the lower bound of the predictive distribution likelihood function by adopting the Continuous Ranked Probability Score (CRPS), a strictly proper scoring rule, as the loss function. This novel pipeline results in forecasting sharp and well-calibrated predictive distribution. Through a comprehensive empirical study, VAEneu is rigorously benchmarked against 12 baseline models across 12 datasets. The results unequivocally demonstrate VAEneu's remarkable forecasting performance. VAEneu provides a valuable tool for quantifying future uncertainties, and our extensive empirical study lays the foundation for future comparative studies for univariate multistep ahead probabilistic forecasting.
We investigate the use of Generative Adversarial Networks (GANs) for probabilistic forecasting of financial time series. To this end, we introduce a novel economics-driven loss function for the generator. This newly designed loss function renders GANs more suitable for a classification task, and places them into a supervised learning setting, whilst producing full conditional probability distributions of price returns given previous historical values. Our approach moves beyond the point estimates traditionally employed in the forecasting literature, and allows for uncertainty estimates. Numerical experiments on equity data showcase the effectiveness of our proposed methodology, which achieves higher Sharpe Ratios compared to classical supervised learning models, such as LSTMs and ARIMA.
In the context of an increasing popularity of data-driven models to represent dynamical systems, many machine learning-based implementations of the Koopman operator have recently been proposed. However, the vast majority of those works are limited to deterministic predictions, while the knowledge of uncertainty is critical in fields like meteorology and climatology. In this work, we investigate the training of ensembles of models to produce stochastic outputs. We show through experiments on real remote sensing image time series that ensembles of independently trained models are highly overconfident and that using a training criterion that explicitly encourages the members to produce predictions with high inter-model variances greatly improves the uncertainty quantification of the ensembles.
Recently, diffusion probabilistic models have attracted attention in generative time series forecasting due to their remarkable capacity to generate high-fidelity samples. However, the effective utilization of their strong modeling ability in the probabilistic time series forecasting task remains an open question, partially due to the challenge of instability arising from their stochastic nature. To address this challenge, we introduce a novel Multi-Granularity Time Series Diffusion (MG-TSD) model, which achieves state-of-the-art predictive performance by leveraging the inherent granularity levels within the data as given targets at intermediate diffusion steps to guide the learning process of diffusion models. The way to construct the targets is motivated by the observation that the forward process of the diffusion model, which sequentially corrupts the data distribution to a standard normal distribution, intuitively aligns with the process of smoothing fine-grained data into a coarse-grained representation, both of which result in a gradual loss of fine distribution features. In the study, we derive a novel multi-granularity guidance diffusion loss function and propose a concise implementation method to effectively utilize coarse-grained data across various granularity levels. More importantly, our approach does not rely on additional external data, making it versatile and applicable across various domains. Extensive experiments conducted on real-world datasets demonstrate that our MG-TSD model outperforms existing time series prediction methods.
Time series forecasting attempts to predict future events by analyzing past trends and patterns. Although well researched, certain critical aspects pertaining to the use of deep learning in time series forecasting remain ambiguous. Our research primarily focuses on examining the impact of specific hyperparameters related to time series, such as context length and validation strategy, on the performance of the state-of-the-art MLP model in time series forecasting. We have conducted a comprehensive series of experiments involving 4800 configurations per dataset across 20 time series forecasting datasets, and our findings demonstrate the importance of tuning these parameters. Furthermore, in this work, we introduce the largest metadataset for timeseries forecasting to date, named TSBench, comprising 97200 evaluations, which is a twentyfold increase compared to previous works in the field. Finally, we demonstrate the utility of the created metadataset on multi-fidelity hyperparameter optimization tasks.