A Distribution-to-Distribution Neural Probabilistic Forecasting Framework for Dynamical Systems
Authors: Tianlin Yang, Hailiang Du, Louis Aslett
Organizations: Department of Mathematical Sciences, Durham University, Durham DH1 3LE, United Kingdom · School of Mathematics, East China University of Science and Technology, Shanghai 200237, China · Data Science Institute, The London School of Economics and Political Science, London WC2A 2AE, United Kingdom
Probabilistic forecasts provide a principled representation of forecast uncertainty through predictive distributions. Directly propagating predictive distributions with conventional physical models requires solving distributional evolution equations, a task well-known to be computationally prohibitive for high-dimensional nonlinear systems. Consequently, multi-step predictive distributions are commonly approximated using ensembles or sampled trajectories. A novel distribution-to-distribution (D2D) neural probabilistic forecasting framework is proposed with compatible distributional encoding and decoding interfaces around a replaceable neural forecasting module. Kernel mean embeddings represent input distributions, while mixture density networks parameterise outputs, enabling recursive multi-step forecasting in distributional form. The framework is demonstrated on the Lorenz63 system. Results show that the D2D model captures nontrivial distributional evolution, produces skillful probabilistic forecasts without explicit ensemble simulation, and remains competitive with a naively initialised perfect-model benchmark. This provides proof-of-concept evidence that predictive distributions can be recursively propagated through a neural forecasting model and evaluated in terms of probabilistic forecast performance.
Figures & tables
Figure 1: Schematic illustration of the proposed D2D neural network architecture.
Figure 2: An example of the evolution of the probability density function (PDF) of the x -variable. Panel (a) shows the reference distributional evolution under the underlying true dynamical system, approximated empirically by propagating a large ensemble of initial conditions under the numerically simulated Lorenz63 system. Panel (b) shows the corresponding PDF evolution generated by the proposed D2D model trained with the iterative strategy. Red dots indicate the corresponding observed values at each lead time.
Figure 3: Logarithmic score skill relative to climatology as a function of lead time for iterative D2D forecasts and perfect model forecasts. Panels (a)-(d) correspond to observational noise levels of 0.01, 0.02, 0.04, and 0.08, respectively. The horizontal black dashed line represents the zero skill climatological forecast. The red curve denotes the perfect model forecast based on a 128-member ensemble propagated under the numerically simulated Lorenz63 system and converted to a predictive distribution using Gaussian kernel dressing [ 42 ] . The remaining curves correspond to iterative D2D models trained with maximum curriculum lead times of 16Δt , 32Δt , 64Δt , and 128Δt . Shaded bands indicate 95% bootstrap resampling intervals computed on the test set.
Figure 4: Evolution of the predictive PDF for the x -variable generated by the 32Δt iterative D2D model, using the same initial condition as in Fig. 2 . Panel (a) corresponds to observational noise level 0.01 , and panel (b) corresponds to observational noise level 0.08 .
Figure 5: Logarithmic score skill relative to climatology for the direct and iterative D2D strategies under different observational noise levels. Panels (a)–(d) correspond to the same observational noise levels as in Fig. 3 . The blue curve denotes the iterative D2D model trained with maximum curriculum lead time 128Δt . The red curve denotes the direct-forecast strategy, constructed from multiple direct D2D models trained at fixed lead times 1Δt , 2Δt , 4Δt , … , 128Δt and composed through a hierarchical temporal aggregation strategy to produce forecasts at arbitrary lead times.
Forecasting a stochastic dynamical system rarely means a single number: one wants several observables---future state, threshold event, regime label---each with its own likelihood. Standard multi-task recipes balance per-task losses, tuned or learned. We instead compose the observables' likelihoods in per-task free-routed last-layer beliefs on a shared backbone; this absorbs unit-dependent loss scaling into likelihood parameters learned in the same gradient pass. Stochastic dynamics supply what static benchmarks cannot: computable ground truth for the predictive variance. Results land where theory puts them: on the well-specified, homoscedastic Ornstein--Uhlenbeck process the learned predictive law recovers the analytic kernel and correctly specified baselines tie. On heteroscedastic systems (stochastic Lorenz-63, real air-quality data) the belief's input-dependent variance separates: best single-run NLL on the state and regime tasks, calibration matched only by arms whose NLL it beats, at a fraction of the tuned grids' cost. On the real series the state margin holds across five rolling origins.
Deep learning surrogates have become powerful tools for simulating and forecasting complex dynamical systems, yet their utility remains limited by catastrophic error accumulation during long-term autoregressive rollouts. This behavior is partly tied to the nature of the underlying systems: chaotic spatiotemporal systems visit phase space unevenly, with dynamics dominated by recurrent, low-dimensional quiescent states and characterized by rare and dynamically complex regime transitions. Trained under a sample-wise uniform objective, standard neural surrogates allocate their finite capacity to the statistically more numerous low-dimensional quiescent states, systematically under-representing the transient regimes that trigger disproportionate, localized errors. Existing imbalanced-regression methods tackle this issue by reweighting samples according to target-space density. However, statistical target-space rarity does not coincide with the intrinsic dynamical rarity encoded in the recurrence geometry of the attractor. To address this, we introduce Dynamics-Aware Weighting (DAW), a data-centric objective reweighting framework. Using the local dimension d from dynamical systems theory as an a priori measure of a state's dynamical complexity, DAW reshapes the loss landscape to allocate representational capacity toward the sparse, high-d regimes where forecast errors are systematically large. On the chaotic KS equation, DAW consistently outperforms uniform training as well as weighting based on target-space rarity, and its randomly permuted ablation, reducing long-term autoregressive error relative to all baselines. Event-level analysis shows that DAW achieves this by suppressing the localized error amplifications incurred during sharp jumps in the local dimension d, which typically accompany complex physical processes such as wave-merging in the KS system.
Zhou Fang, Gianmarco Mengaldo
Department of Mechanical Engineering National University of Singapore Singapore
Multi-step-ahead forecasts are often updated as new observations become available, since shorter forecast horizons typically improve forecast quality. However, such improvements come at the cost of forecast instability, i.e., variability in forecasts for the same target period. This instability can trigger costly changes to plans formulated based on the forecasts and may erode trust in the forecasting system. In this work, we integrate forecast stability alongside forecast quality into the training of distribution-free probabilistic time-series forecasting models, allowing us to control this trade-off. We propose a method for generating stabilized forecasted conditional quantile functions using regression splines parameterized by a neural network. This approach enables joint optimization of quality and stability, as it allows us to directly penalize dissimilarities arising from forecast updates. Furthermore, it allows assigning varying importance to stabilizing different parts of the forecast distributions (e.g., central parts vs. tails) to focus on the parts most relevant for the intended downstream use (e.g., the upper tail for inventory management). We empirically evaluate the proposed method on two datasets with different statistical properties and show that it can effectively reduce forecast instability without a substantial loss in forecast quality, and that it can target stabilization effort toward specific parts of the forecast distributions.
Jente Van Belle, Honglin Wen, Wouter Verbeke +1
Faculty of Economics and Business, KU Leuven, Belgium · Department of Electrical Engineering, Shanghai Jiao Tong University, China · Dyson School of Design Engineering, Imperial College London, United Kingdom +3