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TB-Transolver: Parallelized and Coherent Long-Horizon Rollouts via Temporal Bundling for Time-Dependent PDEs

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Abstract

Transolver has recently gained widespread adoption for solving diverse physical problems on unstructured geometric meshes by leveraging its Physics-Attention mechanism, which seamlessly extends standard softmax attention to handle physical domains at scale. For time-dependent problems, existing literature relies on time-conditioned or autoregressive rollouts to preserve temporal causality while retaining Physics-Attention as the spatial backbone. However, a fundamental limitation of this formulation is its sequential execution model, wherein computational costs scale linearly with the temporal horizon, rendering standard Transolver inefficient for transient problems despite its exceptional spatial efficacy. This bottleneck has historically hindered its broader application in time-dependent physical modeling. To address this limitation, we introduce TB-Transolver (also referred to as Temporally Bundled Transolver), an efficient framework built on temporal bundling that scales Transolver for time-dependent PDEs. Furthermore, we propose spatiotemporal coherence (C(K){\rm C(K)}) as a general metric to systematically quantify snapshot correlation within a temporal bundle, enabling the a priori selection of optimal bundle widths using training data alone, thereby avoiding expensive grid searches. We demonstrate the computational efficacy of TB-Transolver across four physically distinct domains, namely, plasticity, fluid dynamics, reaction-diffusion, and global weather forecasting; achieving training speedups of up to 29×29\times over conventional autoregressive and time-conditioned baselines. Finally, these computational gains are further amplified through distributed multi-node and multi-GPU parallelism, yielding aggregated speedups of up to 45.6×45.6\times at optimal bundle widths for systems exhibiting high spatiotemporal coherence compared to single-GPU implementations.

Introduction

In the era of physical AI, leveraging advanced deep learning architectures to solve the partial differential equations (PDEs) governing physical systems has gained significant momentum alongside conventional numerical methods, such as the finite element and finite volume methods. While early efforts primarily focused on solving individual PDEs formulated as specific learning objectives, recent research has increasingly shifted toward learning general operators that capture input–output mappings across a family of related physical systems. Although established methods such as the Fourier Neural Operator (FNO) [1] demonstrate scalability through operations in the Fourier domain, they often face limitations when handling complex, unstructured spatial domains commonly encountered in real-world applications. To address these challenges, several recent approaches have focused on efficiently representing high-dimensional spatial information by projecting irregular meshes into learned latent spaces. Other methods incorporate graph-based operations [2], geometric Fourier transforms [3], or U-Net architectures [4] to capture multiscale spatial correlations in physical systems. However, graph-based kernels and the periodicity assumptions underlying Fourier bases can limit the ability of these methods to represent complex geometries and facilitate global information transfer.

A parallel line of research in neural PDE solvers has been inspired by recent advances in large language models (LLMs), particularly the Transformer architecture [5], which introduced the attention mechanism for modeling sequential text data. A recent comprehensive survey of scientific foundation models (SciFMs) [6] reports that more than 80% of SciFM architectures across a broad range of applications, including PDE solving, are based on Transformers. Despite their widespread adoption, Transformer-based architectures face an inherent computational bottleneck arising from the quadratic complexity of the softmax attention mechanism. To mitigate this limitation, neural PDE solvers such as Fact-Former [7] employ factorized attention, while GNOT [8], OFormer [9], and related approaches leverage linear attention mechanisms to reduce computational complexity. However, these modifications often rely on mathematical approximations that can compromise attention quality and, in some cases, degrade performance on general-purpose tasks.

Furthermore, existing architectures exhibit limitations in handling unstructured meshes—some apply attention directly to large numbers of mesh points, incurring substantial computational costs, while others are restricted to structured meshes. In contrast, Transolver [10] efficiently processes spatially unstructured meshes while retaining the standard softmax attention mechanism without mathematical approximations. Its efficiency stems from applying attention to intrinsic physical states, represented by learnable intermediate spatial slices through a mechanism termed as Physics-Attention, rather than directly to individual spatial grid points. Despite its demonstrated applicability to industrial-scale problems, including automotive crash dynamics [11] and steady-state external aerodynamics [12], Transolver has been identified as facing scalability challenges when solving time-dependent PDEs. As highlighted by a recent study [13]—“In fact, models like Transolver and GNOT scale very poorly, making it impossible for us to train them for the large-scale time-dependent datasets....”.

Recent efforts have extended Transolver’s spatial scalability to industry-scale meshes containing hundreds of millions of elements through distributed spatial computation across multiple GPUs in Transolver++ [14] and improvements to the computational efficiency of slice/deslice operations in Transolver-3 [12]. However, these advances primarily target spatial scalability and do not directly address the architecture’s computational bottlenecks along the temporal dimension. This gap reflects the broader emphasis of existing research on improving spatial attention mechanisms and developing efficient representations of complex, unstructured meshes, with comparatively less “attention” devoted to scaling neural PDE solvers for time-dependent problems.

Another recent work [15] argues that Physics-Attention is redundant, attributing much of Transolver’s effectiveness to the slice/deslice operations rather than explicit interactions among physical slices. In contrast, a subsequent work [16] introduces a residual refinement mechanism that retains Physics-Attention to capture non-local interactions among physical slices while preserving the underlying physical representations. In the present work, we retain the original Physics-Attention [10] mechanism, while noting that our temporal-bundling strategy is, in principle, applicable to alternative architectures such as LinearNO [15] and Transolver-σ [16].

Autoregressive neural PDE solvers, illustrated in Figure 1 as sequential discrete-time computation, accumulate prediction errors at each rollout step, a phenomenon widely recognized as the distribution shift problem [17]. In this setting, small single-step errors can compound over time, driving predictions away from the training data distribution and potentially inducing severe instabilities during long-horizon rollouts. For time-dependent PDEs, autoregressive evolution advances the solution to the next time instance according to

Overview of the spatial physics-aware interactions and temporal parallelism in TB-Transolver

Figure 1. (a) Overview of the spatial physics-aware interactions and temporal parallelism in TB-Transolver. The Physics-Attention mechanism aggregates spatial information into physics-aware slices, which serve as macro-tokens for capturing physical correlations across the spatial domain. Attention is then applied to these tokens to model interactions among the physical slices. (b) Comparison of sequential and parallel discrete-time computations. Sequential computation involves time-conditioned or autoregressive rollouts, whereas temporal bundling enables multiple time steps to be predicted in parallel. (c) In TB-Transolver, autoregressive time stepping corresponds to the special case of temporal bundling with bundle width K=1K = 1, whereas K>1K > 1 enables parallel prediction across multiple time steps. The illustration shows an example with 12 temporal snapshots.

u(t+Δt)=A(Δt,u(t)),(1)u(t + \Delta t) = \mathcal{A}(\Delta t, u(t)), \tag*{(1)}

where A:R+×RN→RN\mathcal{A}: \mathbb{R}^{+} \times\mathbb{R}^{N} \to\mathbb{R}^{N} denotes the autoregressive operator, which maps the current state to a future state after a time increment Δt\Delta t. In contrast, time-conditioned formulations predict future states directly from the target timestamp, without explicitly conditioning on previously predicted states:

u(t+Δt)=T(t+Δt,I),(2)u(t + \Delta t) = \mathcal{T}(t + \Delta t, \mathcal{I}), \tag*{(2)}

where T:I×R+→RN\mathcal{T}: \mathcal{I} \times\mathbb{R}^{+} \to\mathbb{R}^{N} denotes the time-conditioned operator, which evaluates the state vector at a given timestamp, conditioned on the problem-specific information I\mathcal{I}. The latter may include, for example, the die shape in the plasticity benchmark. Thus, while autoregressive models typically advance chronologically using a fixed time step Δt\Delta t and previously computed states, time-conditioned models query the solution directly at the desired time. Although both paradigms are widely used in the literature, autoregressive formulations remain prevalent in neural operator learning because they explicitly propagate predictions through successive time steps. However, this sequential dependence also exposes them to error accumulation and distribution shift. Investigating this vulnerability, McCabe et al. [18] show that nonlinear operations in FNO can generate unresolved high-frequency modes that alias into lower frequencies, contributing to error accumulation and instability during autoregressive rollouts.

Temporal bundling reduces the number of model evaluations required to reach a given time horizon by predicting K temporal snapshots within a single forward pass, spanning a temporal interval of (K − 1)Δt, thereby reducing the number of model evaluations required to reach a given time horizon and limiting error accumulation during rollouts. This strategy has since been adopted across a range of neural operator architectures, including DeepONet variants [19] and Transformer-based operators [20], as well as domain-specific surrogates for photonics [21], weather forecasting [22], and electronic structure [23]. Despite its widespread adoption, the temporal bundle width, K, is typically fixed by convention or selected through ablation studies [19], which can be computationally expensive. Moreover, existing studies report varying observations regarding the influence of temporal bundling on autoregressive model training. For instance, small bundle widths can lead to overfitting to the one-step prediction map and divergence during long-horizon rollouts, whereas excessively large bundles can degrade predictive accuracy [23]. Other studies report error spikes at bundle boundaries [24] and suggest that larger bundles increase computational costs and compromise temporal causality [21], potentially weakening correlations between successive output frames. Despite these observations, existing studies do not provide a quantitative criterion for selecting KK before training, leaving temporal bundle-width selection for time-dependent problems largely reliant on costly empirical tuning.

A related line of research focuses on selecting the autoregressive stride, Δt\Delta t, rather than the temporal bundle width. In three-dimensional turbulence, a recent study [25] demonstrates that the temporal autocorrelation function (ACF) of the flow field is correlated with neural-operator stability. Specifically, excessively large time intervals weaken correlations between successive snapshots, whereas excessively small intervals introduce redundancy and prolong autoregressive rollouts. These observations have further motivated the development of multi-stride architectures [26]. Similar trade-offs have been reported in studies of step-size selection for neural PDE solvers [27] and weather emulators [22]. More recently, Chen et al. [28] proposed selecting the input history length based on the decorrelation time of a closure diagnostic. However, these criteria rely on temporal correlations evaluated at fixed spatial locations and target either the autoregressive stride, Δt\Delta t, or the input history length, rather than the temporal bundle width, KK.

A complementary direction involves learning the rollout step size during training. TANTE [29], for instance, jointly learns higher-order temporal derivatives and a local radius of convergence through a neural Taylor expansion, allowing the rollout step size to adapt to local dynamics. Although such approaches enable trajectory-dependent adaptation, they require additional training to learn the step-size selection mechanism and introduce architectural complexity. Consequently, selecting the temporal bundle width before training remains an open challenge.

The proposed work bridges the gap between these lines of research. We introduce spatiotemporal coherence, a training-free, data-derived quantity that measures spatial correlation across the span of a candidate temporal bundle. We empirically demonstrate its utility for selecting a suitable bundle width KK a priori, before training. Unlike temporal-only ACF-based criteria [25], the proposed metric quantifies spatial-field correlation across the temporal span of a candidate bundle, providing a complementary perspective for assessing spatiotemporal coherence. Unlike learned adaptive schemes [29], it incurs no training-time overhead and does not modify or complicate the architecture. Building on temporal bundling, we demonstrate substantial speedups when training Transolver on time-dependent PDEs across a diverse set of physical benchmarks. Our main contributions are as follows:

  • We identify incremental trajectory resolution—advancing one time step at a time—as a primary computational bottleneck limiting Transolver on time-dependent PDEs and address it through temporal bundling. Termed TB-Transolver, this approach achieves training speedups of up to 29× and substantially reduces memory consumption while preserving predictive accuracy. These improvements enable successful training on datasets and configurations that exceed the available GPU memory capacity of the baseline Transolver [10].

  • We introduce spatiotemporal coherence (C(K)), a training-free, data-driven measure of snapshot correlation within a candidate temporal bundle, and use it to systematically select the bundle width KK prior to training. We demonstrate that severe decorrelation among snapshots within a bundle characterizes and helps explain the practical limits of temporal bundling across diverse physical dynamics.

  • While temporal bundling reduces computational cost by predicting multiple time steps per forward pass, multi-GPU scaling reduces wall-clock time by distributing spatial computations across multiple GPUs. Combining temporal bundling with multi-GPU scaling yields aggregate speedups of up to 45.6× for time-dependent PDE problems modeled using TB-Transolver.

  • We comprehensively evaluate TB-Transolver across four physically distinct domains—fluid dynamics, plasticity, weather forecasting, and reaction–diffusion—demonstrating its effectiveness for both autoregressive and time-conditioned temporal rollout formulations.

Methodology

Transolver: The backbone of Transolver [10] that facilitates computational efficiency while handling large unstructured meshes is the Physics-Attention mechanism as shown in Figure 1. Unlike the original softmax attention mechanism in Transformer [5], the fundamental hypothesis of the Physics-Attention mechanism is applying softmax attention over an aggregated MM physics-aware macro-tokens instead of the NN spatial points from the unstructured mesh. This leads to an overall computational complexity of O(NMC+M2C)\mathcal{O}(NMC + M^{2}C) which is approximately linear when M≪NM \ll N. Here, CC denotes the number of channels of the deep input feature, x∈RN×Cx \in\mathbb{R}^{N \times C} linearly projected from the concatenated input geometry, g∈RN×Cgg \in\mathbb{R}^{N \times C_g} and initial observations, u∈RN×Cuu \in\mathbb{R}^{N \times C_u}. It is noteworthy that, uu represents history of past states for autoregressive time rollouts while it represents time instances for time-conditioned rollouts.

The projected physics-aware MM slices, z={zj}j=1M∈RM×C\mathbf{z} = \{\mathbf{z}_j\}_{j=1}^{M} \in\mathbb{R}^{M \times C} transitions the Physics-Attention to capture the intricate spatial correlations from the latent states as follows:

q,k,v=Linear⁡(z),z′=Softmax⁡(qkTC)v.\mathbf{q}, \mathbf{k}, \mathbf{v} = \operatorname{Linear}(\mathbf{z}), \quad\mathbf{z}' = \operatorname{Softmax}\left(\frac{\mathbf{q}\mathbf{k}^{\mathsf{T}}}{\sqrt{C}}\right)\mathbf{v}.

Here, q\mathbf{q}, k\mathbf{k}, v\mathbf{v}, z′∈RM×C\mathbf{z}^{\prime} \in\mathbb{R}^{M \times C} and z′\mathbf{z}^{\prime} is projected back to the original mesh points through deslicing which is essentially broadcasting back using the same slice weights, w∈RN×M\mathbf{w} \in\mathbb{R}^{N \times M} which were previously used for slicing the input spatial geometry. Despite the linear computational complexity of the Physics-Attention mechanism, their utilization to time-dependent problems is fairly limited due to the inefficiencies while handling the time dimension. Furthermore, time dimension can only be handled sequentially even when the compute hardware such as the GPUs allow parallelization across spatial dimensions. To this end, Transolver serially computes time rollouts with sequential forward passes at small time steps leading to a major computational bottleneck preventing their scalability to time-dependent PDEs of practical relevance.

Spatiotemporal Coherence: In the current work, we observe that autoregressive frameworks must strike a balance between two sources of error: accumulation error (εaccumulation\varepsilon_{\mathrm{accumulation}}) and decoherence error (εdecoherence\varepsilon_{\mathrm{decoherence}}). The relative L2L_2 error can be viewed as a cumulative measure of these errors in the context of autoregressive rollouts. While accumulation error becomes more pronounced over long-horizon rollouts, decoherence error depends on the underlying physical dynamics and the sampling time step Δtdata\Delta t_{\mathrm{data}} of the dataset. For instance, in fluid dynamics, if Δtdata≫τdiffusion,τconvection\Delta t_{\mathrm{data}} \gg\tau_{\mathrm{diffusion}}, \tau_{\mathrm{convection}}, where τdiffusion\tau_{\mathrm{diffusion}} and τconvection\tau_{\mathrm{convection}} denote the diffusion and convection timescales, respectively, temporal bundling with an arbitrary width KK can result in substantial decorrelation among the output snapshots within a bundle. This can increase εdecoherence\varepsilon_{\mathrm{decoherence}}, potentially offsetting the reduction in εaccumulation\varepsilon_{\mathrm{accumulation}} achieved through temporal bundling. To address this trade-off, we propose a metric to quantify the influence of bundle width KK on εdecoherence\varepsilon_{\mathrm{decoherence}}, enabling more informed bundle-width selection and better control of prediction error.

The current work quantifies the spatial correlation between two snapshots separated by a temporal bundle of width KK using a metric termed spatiotemporal coherence (C(K)C(K)). This metric enables informed decisions, prior to training, about the suitability of temporal bundling for a given physical dynamics using a scalable neural PDE solver such as Transolver. Specifically, C(K)C(K) is defined as the spatial Pearson correlation between the initial snapshot at t0t_0 and the terminal snapshot at tK−1t_{K-1} of a temporal bundle of width KK:

C(K)=⟨u(x,t0)−u‾0,u(x,tK−1)−u‾K−1⟩∥u(x,t0)−u‾0∥2∥u(x,tK−1)−u‾K−1∥2(3)C(K) = \frac{\left\langle\mathbf{u}(\mathbf{x},t_0)-\overline{\mathbf{u}}_0,\mathbf{u}(\mathbf{x},t_{K-1})-\overline{\mathbf{u}}_{K-1}\right\rangle}{\left\|\mathbf{u}(\mathbf{x},t_0)-\overline{\mathbf{u}}_0\right\|_2\left\|\mathbf{u}(\mathbf{x},t_{K-1})-\overline{\mathbf{u}}_{K-1}\right\|_2} \tag*{(3)}

Here, u‾0=u(x,t0)‾\overline{\mathbf{u}}_0 = \overline{\mathbf{u}(\mathbf{x},t_0)} and u‾K−1=u(x,tK−1)‾\overline{\mathbf{u}}_{K-1} = \overline{\mathbf{u}(\mathbf{x},t_{K-1})} denote the spatial averages at the initial and terminal snapshots, respectively. Although prior works employ temporal bundling to reduce potential future-trajectory drift, the bundle width is typically treated as a fixed hyperparameter that must be identified through computationally expensive brute-force training searches. In contrast, the proposed strategy provides a physics-guided, zero-cost diagnostic that can be evaluated entirely from the training data before model training, enabling informed selection of the bundle width KK. Furthermore, we note that

εaccumulation∝1Kandεdecoherence∝(1−C(K;Δtdata)).\varepsilon_{\mathrm{accumulation}} \propto\frac{1}{K} \quad\text{and} \quad\varepsilon_{\mathrm{decoherence}} \propto\left(1-C(K;\Delta t_{\mathrm{data}})\right).

These proportionalities are intended as qualitative heuristics to describe the competing effects of temporal bundling, rather than quantitative error bounds or theoretically derived scaling laws. Although Δtdata\Delta t_{\mathrm{data}} is not a control variable, it characterizes the temporal resolution of the training dataset and can therefore inform the selection of a suitable bundle width before model training. For benchmarks with multiple output channels, such as plasticity (4 channels) and reaction–diffusion (2 channels), the spatial dimensions of all output channels are flattened into a single vector before computing C(K)C(K) using Equation (3). The correlation is computed independently for each training sample, and the resulting values are averaged across the training dataset.

Memory Efficiency: Beyond the significant wall-clock speedups achieved through temporal bundling, TB-Transolver also improves memory efficiency. By reducing the number of model evaluations required for autoregressive rollouts, temporal bundling shortens the computational graph and reduces peak memory consumption.

Influence of Time Bundling on Transolver: Despite its state-of-the-art performance on complex, unstructured spatial domains, Transolver has seen limited adoption as a baseline for time-dependent problems. For instance, GAOT [13] benchmarks Transolver on steady-state problems but omits it from time-dependent experiments, citing poor training scalability on large time-dependent datasets. The original Transolver work [10] addresses time-dependent PDEs using two formulations: time conditioning and autoregressive prediction. In the time-conditioned setting, the model receives the input fields and a query time tt and predicts the solution field at that instant. In the autoregressive setting, the model receives past solution states and predicts the next state, repeating this process up to a prescribed time horizon. Both formulations share the same structural limitation: each forward pass predicts the solution at only one time instance. Physics-Attention reduces the per-pass computational cost on unstructured domains from quadratic to linear in the number of mesh points NN, yielding a complexity of approximately O(NM)O(NM), where MM is the number of learned slices. However, resolving a trajectory spanning TT time instances still requires TT forward passes, resulting in a total computational cost of O(NMT)O(NMT). In the autoregressive setting, these passes must also be executed sequentially, allowing prediction errors to accumulate over time. Thus, for long-horizon predictions, the spatial efficiency gained through Physics-Attention is offset by the cost of resolving the solution one time instance at a time. We identify this limitation as a key bottleneck to scaling Transolver to time-dependent PDEs and address it systematically through temporal bundling.

In Transolver, both autoregressive and time-conditioned rollouts follow the time-stepping strategy illustrated in Figure 1. For short-horizon predictions, this strategy supports stable and accurate predictions of future states. However, the need to predict one time instance at a time becomes a bottleneck when scaling the architecture to time-dependent PDEs. To address this limitation, we propose temporal bundling, also illustrated in Figure 1, with the bundle width selected based on the spatiotemporal coherence (C(K)) introduced in the previous section. Figure 2 presents the spatiotemporal coherence trends, computed before training Transolver, across diverse datasets spanning plasticity, fluid dynamics, reaction–diffusion, and global weather forecasting. Furthermore, Table 1 provides a set of decision rules to guide the selection of temporal bundling prior to training. Although the present study focuses on addressing this bottleneck in Transolver, the proposed approach can also be extended to other neural PDE solvers.

Spatiotemporal coherence curves for dynamical systems

Figure 2. Spatiotemporal coherence (C(K)C(K)) for dynamical systems: (a) low-viscosity Navier–Stokes equation, ν=1e−5\nu= 1\mathrm{e}{-5}; (b) high-viscosity Navier–Stokes equation, ν=1e−3\nu= 1\mathrm{e}{-3}; (c) reaction–diffusion equation; (d) plasticity; and (e) sea surface temperature (SST). The curves show the degree of correlation (or decorrelation) as a function of bundle width (KK). When C(K)→1C(K) \to1, the first and last slices of a bundle of width KK are highly correlated. Conversely, when C(K)→0C(K) \to0, these slices exhibit low correlation, indicating reduced temporal coherence and potentially making temporal bundling less favorable.

C(K)C(K) TrendHigher accuracyHigher efficiencySource of Error
Flat (short/long rollouts)when K→ToutK \to T_{\mathrm{out}}when K→ToutK \to T_{\mathrm{out}}εaccumulation\varepsilon_{\mathrm{accumulation}}
Decays (short rollouts)when K→1K \to1when K→ToutK \to T_{\mathrm{out}}εaccumulation, εdecoherence\varepsilon_{\mathrm{accumulation}},\ \varepsilon_{\mathrm{decoherence}} (↑)
Decays (long rollouts)at optimal K∗K^* (1<K∗<Tout1 < K^* < T_{\mathrm{out}})when K→ToutK \to T_{\mathrm{out}}εaccumulation\varepsilon_{\mathrm{accumulation}} (↑), εdecoherence\varepsilon_{\mathrm{decoherence}}

Table 1. Performance trade-offs based on the structural coherence metric C(K)C(K). Note that (↑) represents the dominating error for time rollouts.

Datasets

Plasticity: To evaluate performance under non-linear elastoplastic solid mechanics, we utilize the 2D plasticity benchmark introduced by Li et al. [3]. The task models the deformation dynamics of an elastoplastic material subjected to indentation by arbitrary die geometries. The spatial domain is discretized on a structured grid of resolution 101×31101 \times31 (N=3,131N = 3{,}131 spatial nodes). The target trajectory spans Tout=20T_{\mathrm{out}} = 20 future time steps with a uniform temporal sampling increment of Δtdata=1.0\Delta t_{\mathrm{data}} = 1.0, yielding an output field tensor of shape 20×101×31×420 \times101 \times31 \times4, where the feature channels capture non-dimensional displacements and internal stress field components. To investigate the effect of temporal bundling, we evaluate bundle widths K∈{1,2,4,5,10,20}K \in\{1, 2, 4, 5, 10, 20\}, mapping the full prediction horizon into autoregressive rollouts of length Tout/KT_{\mathrm{out}}/K. Evaluating the spatiotemporal coherence C(K) via Equation (3) demonstrates a continuous decay (shown in Figure 2) in spatiotemporal coherence, C(K) as K→ToutK \to T_{\mathrm{out}}.

Fluid Dynamics: To evaluate performance on fluid flows, we utilize the 2D incompressible Navier–Stokes benchmark in vorticity formulation on a 2D unit torus T2\mathbb{T}^{2}, introduced by Li et al. [1]. The dataset is divided into low-viscosity and high-viscosity regimes to test model stability under varying degrees of spatial turbulence and temporal chaos:

  • Navier–Stokes (Low Viscosity, ν=10−5\nu= 10^{-5}): This regime represents highly chaotic, turbulent flow dynamics. The spatial domain is discretized on a grid resolution of 64×6464 \times64 (N=4,096N = 4{,}096 spatial nodes). The target trajectory spans an output time horizon of Tout=10T_{\mathrm{out}} = 10 future time steps with a temporal sampling increment of Δtdata=1.0\Delta t_{\mathrm{data}} = 1.0, given an input sequence of Tin=10T_{\mathrm{in}} = 10, yielding a target solution tensor of shape 10×64×6410 \times64 \times64. To investigate temporal bundling, we evaluate bundle widths K∈{1,2,5,10}K \in\{1, 2, 5, 10\}. Computing the spatiotemporal coherence C(K) via Equation (3) demonstrates a continuous decay (shown in Figure 2) in spatiotemporal coherence as K→ToutK \to T_{\mathrm{out}}.

  • Navier–Stokes (High Viscosity, ν=10−3\nu= 10^{-3}): This regime models smooth, strongly dissipative fluid dynamics. The solution trajectory is discretized at a resolution of 64×6464 \times64 (N=4,096N = 4{,}096). Given an input horizon of Tin=20T_{\mathrm{in}} = 20, the model predicts an output horizon of Tout=30T_{\mathrm{out}} = 30 time steps, yielding a target tensor of shape 30×64×6430 \times64 \times64. We evaluate bundle widths K∈{1,2,5,10,15,30}K \in\{1, 2, 5, 10, 15, 30\}. Computing the spatiotemporal coherence C(K) via Equation (3) reveals a non-monotonic trend (shown in Figure 2) characterized by initial decay followed by structural oscillations as K→ToutK \to T_{\mathrm{out}}.

Reaction–Diffusion: To evaluate non-linear pattern formation and coupled dynamics, we utilize the 2D FitzHugh–Nagumo reaction–diffusion system from PDEBench introduced by Takamoto et al. [30]. The benchmark models two non-linearly coupled field variables (u,v)(u, v) under diffusion coefficients Du=10−3D_{u} = 10^{-3} and Dv=5×10−3D_{v} = 5 \times10^{-3}. The spatial domain is discretized on a uniform grid of resolution 128×128128 \times128 (N=16,384N = 16{,}384 spatial nodes). Out of the 100 available temporal snapshots generated with a sampling increment of Δtdata=0.05\Delta t_{\mathrm{data}} = 0.05, we evaluate a sub-sequence of 20 consecutive time steps split into an input horizon of Tin=10T_{\mathrm{in}} = 10 and a target output prediction horizon of Tout=10T_{\mathrm{out}} = 10, yielding a target solution tensor of shape 10×128×128×210 \times128 \times128 \times2. To examine temporal bundling, we evaluate bundle widths K∈{1,2,5,10}K \in\{1, 2, 5, 10\}. Computing the spatiotemporal coherence C(K) via Equation (3) reveals a predominantly flat trend (shown in Figure 2) as K→ToutK \to T_{\mathrm{out}}, indicating that structural coherence is substantially preserved across all admissible bundle widths for this system.

Sea Surface Temperature Benchmark: To evaluate long-range climate forecasting on irregular spatial masks, we utilize hourly single-level Sea Surface Temperature (SST) reanalysis data from ERA5 introduced by Hersbach et al. [31], spanning the years 1980 to 2025. The task predicts monthly SST fields recorded on the 15th day of each month, where land nodes are masked out since valid physical features are restricted to oceanic coordinates. The temporal sampling increment is Δtdata=1\Delta t_{\mathrm{data}} = 1 month. Given an input history horizon of Tin=4T_{\mathrm{in}} = 4 months, the model predicts an output horizon of Tout=8T_{\mathrm{out}} = 8 months, yielding an output target tensor of shape 8×Nocean8 \times N_{\mathrm{ocean}}, where NoceanN_{\mathrm{ocean}} denotes the number of active ocean grid points. To evaluate temporal bundling, we select bundle widths K∈{1,2,4,8}K \in\{1, 2, 4, 8\}. Computing the spatiotemporal coherence C(K)C(K) via Equation (3) exhibits a flat trend (shown in Figure 2) as K→ToutK \to T_{\mathrm{out}}, demonstrating that structural coherence remains invariant across all candidate bundle widths for this global-scale SST field.

It is worthwhile to emphasize that the candidate bundle widths KK across all benchmark systems were selected strictly based on exact divisibility (Tout/KT_{\mathrm{out}}/K integer steps). This choice is adopted for computational convenience to ensure a uniform temporal partition across the forecast horizon ToutT_{\mathrm{out}}. Based on the observed trajectory of the spatiotemporal coherence metric C(K)C(K) across distinct physical systems, we observe that selecting an optimal bundle width K∗K^*—which balances computational efficiency with predictive accuracy—is strongly governed by the underlying dynamical properties of the target dataset. We synthesize these general empirical and theoretical observations in Table 1. In the subsequent sections, we demonstrate the concrete computational performance gains achieved by temporal bundling for K>1K > 1 for Transolver, illustrating how an optimal KK can be systematically identified by considering spatiotemporal coherence alongside the length of the temporal rollout horizon.

Results

This section examines the computational gains of temporal bundling in Transolver for both time-conditioned and autoregressive rollouts across a range of time-dependent problems in the physical sciences. All experiments in the present study are conducted using a single NVIDIA RTX PRO 6000 Blackwell GPU, whereas Wu et al. evaluated the original Transolver using an NVIDIA A100 GPU [10]. The training configuration for all benchmarks are tabulated and discussed in Appendix § 5.

Therefore, to verify that prediction accuracy is consistent across GPU types, we compare the relative L2L_2 errors obtained using Transolver with temporal bundle width K=1K = 1 on our GPU against the results reported in the original work for two benchmark—plasticity and Navier–Stokes. We then demonstrate the computational benefits of temporal bundling for larger bundle widths, selected based on the spatiotemporal coherence C(K)C(K) of each dataset representing a time-dependent problem.

Here, we consider two types of temporal rollouts for the Transolver architecture—time-conditioned (Equation (2)) and autoregressive (Equation (1)) rollouts. Specifically, we use time-conditioned rollouts for plasticity and autoregressive rollouts for the remaining time-dependent problems—Navier–Stokes, reaction–diffusion, and global weather forecasting. Although these are widely adopted strategies for operator learning of time-dependent problems, we identify the one-time-step-per-forward-pass constraint as a critical bottleneck to scaling Transolver for such problems. To address this limitation, we investigate the feasibility of temporal bundling based on the trend of C(K)C(K) for both short and long-horizon rollouts, as summarized in Table 1. We evaluate temporal bundling for Navier–Stokes in both high and low-viscosity regimes. The low-viscosity regime presents physical challenges associated with more complex and chaotic flow dynamics, whereas the high-viscosity regime presents a challenge due to the relatively long autoregressive rollout, in which 30 future time steps are predicted given a 20-timestep input context. We further conclude the discussions with distributed data parallelism for Transolver while solving time-dependent problems using the optimal bundle width K∗K^*, and demonstrate the scaling efficiency and the subsequent speed-up at the optimally chosen bundle width. It is worthwhile to note that here, the optimal bundle width K∗K^* is decided based on Table 1 by weighing the gain in computational efficiency at the expense of accuracy.

The optimality of the bundle width discussed here is empirical and is unrelated to optimality conditions in theoretical mathematics. In practice, given a dataset representing the dynamics of a physical problem, one can compute C(K)C(K) for a range of bundle widths to identify the trend in spatiotemporal coherence, as illustrated in Figure 2, and select an appropriate bundle width using the decision rules in Table 1. Furthermore, our empirical results across benchmarks indicate that C(K)≥0.8C(K) \ge0.8 is associated with favorable accuracy–efficiency trade-off. We therefore recommend considering this threshold when searching for an optimal bundle width K∗K^* across a range of candidate values.

K∗=max⁡{K:C(K)≳0.8}(4)K^{*} = \max\{K : C(K) \gtrsim0.8\} \tag*{(4)}

It is worth noting that Equation (4) provides an empirically motivated criterion for selecting the bundle width, which is consistent with the benchmark results across the physical domains considered and the different coherence trends observed in Figure 2. While the current work focuses on Transolver, further investigation across additional architectures, benchmarks, and physical domains is warranted to refine the threshold and assess the broader applicability and potential universality of the proposed selection criterion.

Temporally Bundled Transolver for Scaling Efficiency

The empirical results across the time-dependent benchmarks considered in this section further demonstrate how the trend in C(K)C(K), shown in Figure 2, relates to prediction accuracy and computational efficiency, as summarized in Table 1. Table 3–Table 7 report the performance of temporally bundled Transolver across plasticity, low-viscosity Navier–Stokes, reaction–diffusion, high-viscosity Navier–Stokes, and global sea surface temperature forecasting. Comparing the mean errors for plasticity and Navier–Stokes in Table 3 and Table 4, respectively, against the baseline results reported in Table 2 for K=1K = 1, we find that our results are consistent with those of the original Transolver work [10], despite the differences in GPU configurations.

ModelPlasticityNavier–Stokes (ν=1e−5\nu= 1\mathrm{e}{-5})
FNO [1]–0.1556
WMT [32]0.00760.1541
U-FNO [33]0.00390.2231
geo-FNO [3]0.00740.1556
U-NO [4]0.00340.1713
F-FNO [34]0.00470.2322
Galerkin Transformer [35]0.01200.1401
HT-Net [36]0.03330.1847
OFormer [9]0.00170.1705
GNOT [8]0.03360.1380
FactFormer [7]0.03120.1214
LSM [37]0.00250.1535
ONO [38]0.00480.1195
Transolver [10]0.00120.0900

Table 2. Comparative performance (Relative L2L_2 Error) of baseline operator learning models and Transolver across standard Plasticity and Navier-Stokes PDE benchmarks by Wu et al. [10]. Note that here, bundle width with K=1K = 1 corresponds to Transolver. Also, plasticity is trained by time-conditioning while Navier-Stokes is trained by auto-regressive rollouts.

Bundle Width (K)Mean ErrorSec/EpochTotal Time (500 Ep.)Peak VRAMC(K)Speed-up
10.00120[1]122.0017.0 h1.98 GB1.0Baseline
20.00160[1]59.318.2 h1.99 GB0.8942×2\times
40.00192[2]30.174.2 h1.98 GB0.7614×4\times
50.00194[2]22.503.1 h1.98 GB0.7095×5\times
100.00229[2]6.1852 min1.99 GB0.49920×20\times
200.00270[1]4.1535 min1.98 GB0.13529×29\times

Table 3. Plasticity Benchmark (Tout=20T_{\mathrm{out}} = 20): Accuracy and computational efficiency for varying bundle widths. C(K)C(K) follows the trend illustrated in Figure 2. The model is trained using time-conditioned rollouts. The model comprises 2.8 million parameters.

Bundle Width (K)Mean ErrorSec/EpochTotal Time (500 Ep.)Peak VRAMC(K)Speed-up
10.09618[1]79.712.0 h7.65 GB1.0Baseline
20.10638[1]47.46.5 h3.94 GB0.9351.7×1.7\times
50.16571[1]31.64.2 h1.72 GB0.6962.5×2.5\times
100.20670[1]23.42.7 h0.98 GB0.4303.4×3.4\times

Table 4. Navier-Stokes, Low Viscosity Benchmark (Tout=10T_{\mathrm{out}} = 10): Accuracy and computational efficiency for varying bundle widths. C(K) follows the trend illustrated in Figure 2. The model is trained using autoregressive time rollouts. The model comprises 11.2 million parameters.

Bundle Width (K)Mean ErrorSec/EpochTotal Time (500 Ep.)Peak VRAMC(K)Speed-up
10.54380243.8333.9 h22.49 GB1.0Baseline
20.08000123.6017.2 h11.37 GB0.9842×
50.0053054.177.5 h4.69 GB0.8194.5×
100.0068738.435.3 h2.46 GB0.5056.4×
150.0060333.204.6 h1.72 GB0.6657.3×
300.0071420.162.8 h0.98 GB0.45412×

Table 7. Navier-Stokes, High-Viscosity Benchmark (ToutT_{\mathrm{out}} = 30): Accuracy and computational efficiency for varying bundle widths. C(K) follows the trend illustrated in Figure 2. The model is trained using autoregressive time rollouts. The model comprises 11.2 million parameters.

Performance of TB-Transolver on the Plasticity Benchmark

Figure 3. Performance of TB-Transolver on the Plasticity Benchmark: As bundle width KK increases toward ToutT_{\mathrm{out}}, TB-Transolver achieves a speedup of up to 29×29\times while relative L2L_2 error increases by 125%125\% compared to time-conditioned rollouts at K=1K = 1.

As summarized in Table 1, computational efficiency generally improves with increasing bundle width KK, a trend consistently observed across all benchmarks in Table 3–Table 7. A substantial portion of these gains arises from reducing the number of model evaluations required across the temporal horizon. In the limiting case of K=ToutK = T_{\mathrm{out}}, temporal bundling allows the model to predict the entire time horizon in a single forward pass, avoiding the sequential time stepping required by conventional time-conditioned and autoregressive rollouts. Although such one-shot predictions are expected to reduce accumulation error (εaccumulation\varepsilon_{\mathrm{accumulation}}), this reduction is not guaranteed and depends on the underlying physical dynamics represented by the dataset.

Notably, the plasticity and low-viscosity Navier–Stokes benchmarks exhibit similar decaying trends in C(K) as the bundle width K increases, as shown in Figure 2. This decay indicates increasing decorrelation between the first and last snapshots within a temporal bundle. Consistent with this observation, the prediction accuracy degrades as K increases for both benchmarks, as reported in Table 3–Table 4, due to increased decoherence within the bundle. For plasticity, evaluated using time-conditioned rollouts, temporal bundling achieves up to 29×29\times speed-up, while the low-viscosity Navier–Stokes benchmark, evaluated using autoregressive rollouts, achieves up to 3.4×3.4\times speed-up. However, at K=ToutK = T_{\mathrm{out}}, the mean error increases by up to 2.25×2.25\times and 2.24×2.24\times, respectively, relative to the K=1K = 1 baseline. This suggests that for any decaying trend of C(K) as observed for plasticity (Table 3) and Navier-Stokes with low viscosity (Table 4) benchmarks, an optimal bundle width K∗K^{*} is typically when K=2K = 2 where we attain up to 2×2\times speed-up with minimal increase in the mean error.

Reaction–diffusion benchmark activator and inhibitor fields and relative $L_2$ errors for bundle widths $K=1$, $K=2$, $K=5$, and $K=10$

Figure 5. Performance of TB-Transolver on the Reaction–Diffusion Benchmark: As bundle width KK increases toward ToutT_{\mathrm{out}}, TB-Transolver achieves a speedup of up to 10× alongside substantial reduction in relative L2L_2 error by 76.9% compared to autoregressive rollouts at K=1K=1.

In contrast, the reaction–diffusion and global sea surface temperature (SST) forecasting benchmarks exhibit non-decaying, approximately flat trends in C(K)C(K) as the bundle width KK increases, as shown in Figure 2. This behavior indicates that the dynamics remain coherent across the temporal bundle, even at larger bundle widths. Consistent with this observation, prediction accuracy is maintained or improves as KK increases for the reaction–diffusion and SST benchmarks, as reported in Table 5–Table 6. The reaction–diffusion benchmark, evaluated using autoregressive rollouts, achieves up to 10× speed-up, while the SST benchmark achieves up to 7.5× speed-up. For both benchmarks, the lowest mean error is obtained at K=ToutK=T_{\mathrm{out}} relative to the baseline with K=1K=1. These results suggest that, for benchmarks exhibiting a non-decaying or flat trend in C(K)C(K), such as reaction–diffusion (Table 5) and SST forecasting (Table 6), an optimal bundle width K∗K^{*} is typically when K→ToutK \to T_{\mathrm{out}}, yielding the greatest computational efficiency alongside the best test accuracy.

Bundle Width (KK)Mean ErrorSec/EpochTotal Time (500 Ep.)Peak VRAMC(K)C(K)Speed-up
10.00489[1]216.0030.0 h29.83 GB1.0Baseline
20.00438[1]109.1515.2 h15.05 GB0.9992×
50.00394[2]44.206.1 h6.18 GB0.9985×
100.00113[2]22.603.1 h3.22 GB0.99410×

Table 5. Reaction-Diffusion Benchmark (Tout=10T_{\mathrm{out}}=10): Accuracy and computational efficiency for varying bundle widths. C(K)C(K) follows the trend illustrated in Figure 2. The model is trained using autoregressive time rollouts. The model comprises 11.2 million parameters.

Bundle Width (K)Mean ErrorSec/EpochTotal Time (500 Ep.)Peak VRAMC(K)Speed-up
1———— Out Of Memory (OOM) ————94.86 GB*1.0—
20.08000[3]^{[3]}4.2235.2 min54.72 GB0.993Baseline
40.07550[3]^{[3]}2.1217.7 min27.53 GB0.9541.9×
80.07370[3]^{[3]}1.078.9 min13.93 GB0.9943.9×

Table 6. Sea Surface Temperature (SST) Benchmark (ToutT_{\mathrm{out}} = 8 months): Accuracy and computational efficiency for varying bundle widths. C(K) follows the trend illustrated in Figure 2. The model is trained using autoregressive time rollouts. The model comprises 710k parameters.

Global sea surface temperature for October 2023 and relative $L_2$ errors for bundle widths $K=2$ and $K=8$

Figure 6. Performance of TB-Transolver on the SST Benchmark: As bundle width KK increases toward ToutT_{\mathrm{out}}, TB-Transolver achieves a speedup of up to 7.5× alongside reduction in relative L2L_2 error by 7.9% compared to time-bundled rollouts at K=2K=2. Note that K=1K=1 exhausts available GPU memory for a batch size of 8 at float32 precision. The test dataset spans years 2021–2025, with additional evaluation results provided in Appendix § 6.

*Maximum available GPU memory

The benchmarks discussed above can be categorized as involving short to medium-horizon rollouts. In contrast, we consider high-viscosity Navier–Stokes as a long-horizon benchmark, predicting 30 future time snapshots given 20 historical input snapshots. Unlike the low-viscosity regime, the high-viscosity regime exhibits more temporally coherent, periodically oscillating flow structures, which may favor temporal bundling and help explain the oscillations in C(K) at larger bundle widths, as observed in Figure 2. Furthermore, we observe a difference of approximately ΔC(K)≈0.1\Delta C(K) \approx0.1 between the low and high-viscosity Navier–Stokes benchmarks. Taken together, these observations suggest that the high-viscosity regime represents an intermediate case between the decaying and flat trends in C(K) observed for the other benchmarks.

As the bundle width K increases, we observe a monotonically decreasing trend in training time but a non-monotonic trend in mean error, despite the decaying trend in C(K). As shown in Table 7, the optimal bundle width is K∗=5K^* = 5. We can consider K<K∗K < K^* as a less favorable region, as it incurs substantially higher training time and mean error. In contrast, K>K∗K > K^* substantially reduces training time, although the mean error increases, while maintaining the same order of magnitude as that obtained at the optimum. This suggests that for decaying trend of C(K) with long horizon rollouts, as observed for Navier-Stokes with high viscosity (in Table 7), a optimal bundle width K = 5 exists in the range, 0<K∗<Tout0 < K^* < T_{\mathrm{out}} that attains up to 4.5× speed-up with maximum test accuracy.*

Remark (Physical Interpretation of the Influence of Temporal Bundling on the Navier–Stokes Benchmark). For the low-viscosity benchmark, the vorticity field in the highlighted inset of Figure 4 shows that the flow becomes increasingly diffusive as K increases. Physically, this behavior suggests that wider temporal bundles introduce artificial numerical dissipation, which acts in addition to the physical viscosity (ν=10−5+νartificial\nu= 10^{-5} + \nu_{\mathrm{artificial}}) and enhances diffusion relative to the baseline due to decoherence within the bundle. Although a similar qualitative trend is observed for the high-viscosity benchmark, the contribution of this artificial damping to the relative L2_2 error is substantially smaller than that of the distribution shift induced by long-horizon autoregressive rollouts. Consequently, distribution shift dominates the error in the high-viscosity regime, resulting in a substantially larger error at K = 1 than in the low-viscosity benchmark, which achieves its lowest overall error at this bundle width.

Performance of TB-Transolver on the Navier-Stokes Benchmark

Figure 4. Performance of TB-Transolver on the Navier-Stokes Benchmark: For low viscosity (top), as bundle width KK increases toward ToutT_{\mathrm{out}}, TB-Transolver achieves a speedup of up to 3.4×3.4\times while relative L2L_2 error increases by 115% compared to autoregressive rollouts at K=1K = 1. On the other hand, for high viscosity (bottom), as bundle width KK increases toward ToutT_{\mathrm{out}}, TB-Transolver achieves a speedup of up to 12×12\times while relative L2L_2 error decreases by 99% compared to autoregressive rollouts at K=1K = 1.

Remark (Memory Efficiency). All benchmark results discussed in this section pertain to single-GPU training of the temporally bundled Transolver under a fixed VRAM budget of 96 GB for RTX PRO 6000 Blackwell. Across all domains, we observe a drastic reduction in VRAM consumption for autoregressive time rollouts as the bundle width increases. Conversely, for time-conditioned rollouts, VRAM consumption remains invariant across bundle widths (as shown in Table 3 for plasticity) because the model does not accumulate extended computational graphs prior to backpropagation at the end of the predicted time horizon. Thus, while time-conditioned rollouts are insensitive to bundle width changes, autoregressive rollouts exhibit substantial VRAM savings as K→ToutK \to T_{\mathrm{out}}. Although secondary factors such as batch size also influence memory usage, we note that for the SST benchmark with a batch size of 8, the combined memory footprint of the dataset and model parameters (in float32) exceeds the GPU capacity, resulting in an out-of-memory error as shown in Table 6.

Distributed Data Parallelism at Optimal Bundle Width

In this section, training is extended to multiple GPUs using Distributed Data Parallelism (DDP). Specifically, we leverage multiple NVIDIA RTX PRO 6000 Blackwell GPUs to scale the training of TB-Transolver across time-dependent PDE benchmarks. In addition to identifying an optimal bundle width K∗K^* that balances prediction accuracy and computational efficiency, we evaluate the additional speedups achieved through multi-GPU scaling.

For multi-GPU training, the GPUs are distributed across compute nodes, with two GPUs per node. Each compute node is equipped with two NVIDIA RTX PRO 6000 Blackwell GPUs. The GPUs support PCIe Gen5 x16 connectivity but do not support NVLink. For instance, in the 8-GPU configuration, data is distributed across GPUs spanning four compute nodes, with inter-GPU communication within the node facilitated via PCIe rather than the higher-bandwidth NVLink. Although NVLink is typically preferred for high-bandwidth, low-latency peer-to-peer GPU communication, the PCIe-based intra node connectivity and inter-node communication infrastructure are sufficient for the current workload, with an average measured communication speed of 700 MB/s. This efficiency is primarily attributed to single-precision (float32) training paired with modest batch sizes. Nevertheless, GPU architectures equipped with NVLink may be advantageous for memory-bound scaling scenarios involving larger models, higher-precision training, larger batch sizes, or larger datasets.

It is worth emphasizing that the speedups achieved through multi-GPU training are orthogonal to those achieved through temporal bundling. Specifically, temporal bundling accelerates training along the time dimension by shortening computational graphs, whereas multi-GPU training distributes computation across GPUs to improve scalability. Regardless of the number of GPUs, time-conditioned and autoregressive rollouts process time steps sequentially by default. Thus, specialized strategies such as temporal bundling remain essential for mitigating computational bottlenecks along the time axis.

Table 8 summarizes the scaling efficiency and speedups achieved across the time-dependent benchmarks under a 2-GPU configuration, relative to single-GPU training at the optimal bundle width K∗K^{*}. With the exception of the reaction–diffusion benchmark, all evaluated domains attain an average scaling efficiency of 95% under the 2-GPU configuration. We further scale training to an 8-GPU configuration, with the resulting performance trends illustrated in Figure 7. Key observations from scaling TB-Transolver at K∗K^{*} include:

BenchmarkOptimal Bundle Width (K∗K^*)1-GPU (Sec/Epoch)2-GPU DDP (Sec/Epoch)Speed-up% Scaling Efficiency
Plasticity262.8932.581.93×96.5
Low Viscosity247.4025.091.89×94.5
High Viscosity554.1728.231.92×96.0
Reaction-Diffusion1022.6014.231.59×79.5
SST81.070.571.88×94.0

Table 8. Distributed Data Parallel (DDP) Scaling: Scaling efficiency up to 2 GPUs evaluated across diverse physical regimes using optimal temporal bundle widths (K∗K^*). Near-linear scaling is achieved on compute-heavy domains where Physics-Attention overhead dominates communication latency.

Multi-GPU DDP scaling with temporal bundling

Figure 7. Multi-GPU DDP Scaling with Temporal Bundling: (a) Illustration comparing regular time stepping on a single GPU and multi-GPU training with temporal bundling for a 4-GPU configuration. Gradients are synchronized across GPUs using the AllReduce operation during backpropagation, before the optimizer update. (b) Multi-GPU scaling up to 8 GPUs across diverse physical domains using optimal bundle width K∗K^{*} with compute load dominating communication latency.

  • As shown in Figure 7, combining temporal bundling with multi-GPU training yields aggregate speedups of up to 45.6×45.6 \times across the evaluated benchmarks. These gains arise from accelerating computation along the time dimension through temporal bundling and distributing computation across multiple GPUs.

  • The reaction–diffusion and SST benchmarks achieve aggregate speedups exceeding 40×40 \times with 8 GPUs, supported by their large optimal bundle widths (K∗=10K^{*} = 10 and K∗=8K^{*} = 8, respectively). These results highlight the substantial contribution of temporal bundling at larger bundle widths to the overall computational gains, complemented by multi-GPU scaling.

  • In contrast, the long-horizon autoregressive high-viscosity Navier–Stokes benchmark achieves a maximum

aggregate speedup of 8.3×8.3\times with 8 GPUs, the lowest among the evaluated benchmarks. This comparatively modest gain may reflect the computational demands of its longer input and output time sequences, despite the use of an optimal bundle width of K∗=5K^{*}=5.

  • Across the five benchmarks, 8-GPU distributed training achieves average GPU utilization of approximately 81–94%, indicating sustained and relatively balanced GPU activity across the workloads. Streaming Multiprocessor (SM) utilization ranges from 30–60%, while DRAM bandwidth utilization varies from 10–50%, reflecting differences in computational and memory-access demands across physical systems. The SST benchmark exhibits the highest GPU memory consumption (approximately 16.5 GB per GPU), primarily due to its larger batch size of 8.

Temporal bundling and multi-GPU scaling are complementary mechanisms for improving the computational efficiency of TB-Transolver, but their relative contributions vary across benchmarks. Our results suggest that this variation is associated with the trend in C(K)C(K) across the time-dependent datasets. For benchmarks where C(K)C(K) decays, as illustrated in Figure 2, the accuracy constraints on bundle width can limit the speedup obtainable through temporal bundling, making multi-GPU scaling an important additional source of computational gains. Conversely, when C(K)C(K) remains approximately flat, larger bundle widths can be used while maintaining prediction accuracy, allowing temporal bundling to contribute more substantially to the overall speedup.

Discussion & Conclusions

The Transolver architecture has been widely adopted as a neural operator framework due to its efficient Physics-Attention mechanism, which enables the handling of large geometric meshes in physical space. However, it often struggles with scalability in time-dependent physical problems, restricting its utility for complex dynamical systems. Specifically, much of this inefficiency stems from sequential time-stepping via time-conditioned or autoregressive training, causing the architecture to fall short on temporal dynamics despite the near-linear computational complexity of its spatial attention mechanism. To address these limitations, this work proposes the TB-Transolver as an efficient framework for solving time-dependent problems. Furthermore, we introduce spatiotemporal coherence, C(K)C(K), as a metric to quantify temporal coherence and determine the optimal bundle width K∗K^{*} for the temporally bundled Transolver. As illustrated in Table 9, all benchmarks satisfy the criterion in Equation (4), achieving computational speed-ups while maintaining a favorable accuracy-efficiency trade-off at the optimal bundle width, K∗K^{*}. It is observed that the source of error for temporal bundling with an arbitrary bundle width KK can largely vary depending on the trend of C(K)C(K) and this is illustrated in Table 10. For instance, as C(K)C(K) decays the error contribution is dominated by decoherence for K>1K>1 with an exception for the high-viscosity benchmark. Consequently, when C(K)C(K) plateaus, the contribution is only from accumulation for 1<K<Tout1<K<T_{\mathrm{out}}.

BenchmarkK∗K^{*}C(K∗)C(K^{*})Speed-up
Plasticity20.8942×2\times
Navier-Stokes (Low Viscosity)20.9351.7×1.7\times
Navier-Stokes (High Viscosity)50.8194.5×4.5\times
Reaction-Diffusion100.99410×10\times
Sea Surface Temperature (SST)80.9943.9×3.9\times

Table 9. Optimal bundle widths and their accuracy-efficiency trade-offs: Following the selection criterion in Equation (4): K∗=max⁡{K:C(K)≳0.8}K^{*}=\max\{K:C(K)\gtrsim0.8\}, the selected optimal bundle widths (K∗K^{*}) provide computational speed-ups while maintaining favorable predictive accuracy across the benchmarks.

BenchmarkC(K)Source of error dominated by
εaccumulation\varepsilon_{\mathrm{accumulation}}εdecoherence\varepsilon_{\mathrm{decoherence}}
PlasticityDecays-✓
Navier-Stokes (Low Viscosity)Decays✗✓
Navier-Stokes (High Viscosity)Decays and Oscillates✓✗
Reaction-DiffusionFlat✓-
Sea Surface Temperature (SST)Flat✓-

Table 10. Sources of error in temporal bundling: Error is governed by either accumulation or decoherence for 1<K<Tout1 < K < T_{\mathrm{out}}. εdecoherence\varepsilon_{\mathrm{decoherence}} can be neglected in regimes where C(K) remains flat. Plasticity benchmark has no contribution from εaccumulation\varepsilon_{\mathrm{accumulation}} since it is trained by time-conditioned rollouts. Note that this is a qualitative interpretation of the dominant error mechanisms.

Although temporal bundling yields exceptional gains in computational efficiency, it often struggles to maintain accuracy at large bundle widths due to decoherence for certain time-dependent benchmarks. In that context, the potential of temporal bundling is not fully leveraged for such benchmarks since they are forced to work with lower bundle widths to balance computational efficiency and accuracy. To mitigate this limitation, we integrate temporal bundling with multi-GPU training, securing cumulative speedups particularly in regimes where accuracy constraints restrict the use of larger bundle widths. Consequently, the relative dominance of temporal bundling versus multi-GPU scaling in driving computational efficiency varies significantly across domains depending on the trend of C(K), as summarized in Table 11. To this end, a monotonically decaying C(K) results in significant internal decoherence at large bundle widths, restricting optimal performance to smaller K values and thereby diminishing the computational gains achievable via temporal bundling. In such regimes, hardware-level GPU scaling serves as the primary driver of computational efficiency. Conversely, in systems where the trend of C(K) plateaus, high structural coherence is preserved even at larger bundle widths, allowing temporal bundling to yield substantial efficiency gains that surpass those provided by GPU scaling alone. This is further supported by the empirical evidence illustrated in Figure 7.

BenchmarkC(K)Computational efficiency dominated by
Temporal bundlingGPU scaling
PlasticityDecays✗✓
Navier-Stokes (Low Viscosity)Decays✗✓
Navier-Stokes (High Viscosity)Decays and Oscillates✓✓
Reaction-DiffusionFlat✓✗
Sea Surface Temperature (SST)Flat✓✗

Table 11. Computational efficiency across domains for temporal bundling: Computational efficiency across distinct physical domains, governed by the combined effects of temporal bundling and multi-GPU scaling.

In summary, the present work addresses the primary cause of computational inefficiency in the Transolver architecture during time-dependent PDE rollouts. Beyond eliminating the scalability bottleneck, we introduce a predictive framework based on spatiotemporal coherence C(K) to systematically determine the optimal bundle width K* using a priori analysis of the training data alone, bypassing the need for computationally prohibitive grid or random searches. Importantly, the proposed coherence diagnostic is formulated independently of the specific neural operator architecture and offers a data-driven approach to assessing temporal rollout efficiency. Its applicability across broader classes of neural operators, however, remains to be established through future investigations.

Extending this validation to demonstrate the broader generalizability of the proposed framework across alternative neural operator architectures prominent in the literature represents a promising direction for future work. Finally, the proposed strategies for TB-Transolver can be seamlessly extended to (3+1)D industry-scale problems, such as crash dynamics [11] or automotive aerodynamics [10], even in resource-constrained environments. Furthermore, when combined with high-performance computing hardware such as GPUs, the framework attains massive aggregated speedups while preserving predictive accuracy and strictly respecting the temporal causality of time-stepping rollouts at optimal bundle widths. Another promising direction involves extending TB-Transolver to discrete physical systems such as granular metamaterials, departing from the continuous domains predominantly investigated in existing literature. We believe this extension will require tailored architectural modifications to effectively accommodate physical discreteness, representing a compelling direction for future research.

Training Configuration

All Transolver and TB-Transolver models were trained using the same configuration for each time-dependent benchmark. The AdamW optimizer was used with a weight decay of 10−510^{-5} and an initial learning rate of 10−310^{-3}. The learning rate was scheduled using PyTorch’s OneCycleLR scheduler. All models were trained for 500 epochs.

ParameterPlasticityNS (Low ν\nu)Reaction–DiffusionSSTNS (High ν\nu)
Spatial domain2D structured2D structured2D structured2D irregular2D structured
Hidden dimension128256256128256
Number of layers88888
Number of attention heads88888
Number of learned slices6432323232
Unified positional encodingDisabledEnabledEnabledDisabledEnabled
Input time steps (TinT_{\mathrm{in}})–10104 months20
Output time steps (ToutT_{\mathrm{out}})2010108 months30
Rollout strategyTime-conditionedAutoregressiveAutoregressiveAutoregressiveAutoregressive
Teacher forcingDisabledEnabledEnabledEnabledEnabled
Training samples9001,000900411,000
Test samples802001005 years200
Batch size per GPU22282
Spatial resolution101 ×\times 3164 ×\times 6464 ×\times 6443,049 points64 ×\times 64

Table 12. Transolver architecture and training configurations across the plasticity, low- and high-viscosity Navier–Stokes, reaction–diffusion, and sea surface temperature (SST) benchmarks.

Sea Surface Temperature

Performance comparison of TB-Transolver on the SST benchmark

Figure 8. Performance of TB-Transolver on the SST Benchmark: As bundle width KK increases toward ToutT_{\mathrm{out}}, TB-Transolver achieves a speedup of up to 7.5×7.5\times alongside reduction in relative L2L_2 error by 7.9% compared to time-bundled rollouts at K=2K = 2. Note that K=1K = 1 exhausts available GPU memory for a batch size of 8 at float32 precision.

References

  1. [1]Z. Li, N. Kovachki, K. Azizzadenesheli, B. Liu, K. Bhattacharya, A. Stuart, A. Anandkumar, Fourier neural operator for parametric partial differential equations, arXiv preprint arXiv:2010.08895 (2020).arxiv.org/abs/2010.08895
  2. [2]Z. Li, N. Kovachki, K. Azizzadenesheli, B. Liu, K. Bhattacharya, A. Stuart, A. Anandkumar, Neural operator: Graph kernel network for partial differential equations, arXiv preprint arXiv:2003.03485 (2020).arxiv.org/abs/2003.03485
  3. [3]Z. Li, N. Kovachki, C. Choy, B. Li, J. Kossaifi, S. Otta, M. A. Nabian, M. Stadler, C. Hundt, K. Azizzadenesheli, et al., Geometry-informed neural operator for large-scale 3d pdes, Advances in Neural Information Processing Systems 36 (2023) 35836–35854.arxiv.org/abs/2309.00583
  4. [4]M. A. Rahman, Z. E. Ross, K. Azizzadenesheli, U-no: U-shaped neural operators, arXiv preprint arXiv:2204.11127 (2022).arxiv.org/abs/2204.11127
  5. [5]A. Vaswani, N. Shazeer, N. Parmar, J. Uszkoreit, L. Jones, A. N. Gomez, Ł. Kaiser, I. Polosukhin, Attention is all you need, Advances in neural information processing systems 30 (2017).arxiv.org/abs/1706.03762
  6. [6]S. S. Menon, T. Mondal, S. Brahmachary, A. Panda, S. M. Joshi, K. Kalyanaraman, A. D. Jagtap, On scientific foundation models: Rigorous definitions, key applications, and a survey, Key Applications, and a Survey (2025).DOI
  7. [7]Z. Li, D. Shu, A. Barati Farimani, Scalable transformer for pde surrogate modeling, Advances in Neural Information Processing Systems 36 (2023) 28010–28039.arxiv.org/abs/2305.17560
  8. [8]Z. Hao, Z. Wang, H. Su, C. Ying, Y. Dong, S. Liu, Z. Cheng, J. Song, J. Zhu, Gnot: A general neural operator transformer for operator learning, in: International conference on machine learning, PMLR, 2023, pp. 12556–12569.
  9. [9]Z. Li, K. Meidani, A. B. Farimani, Transformer for partial differential equations’ operator learning, arXiv preprint arXiv:2205.13671 (2022).
  10. [10]H. Wu, H. Luo, H. Wang, J. Wang, M. Long, Transolver: A fast transformer solver for PDEs on general geometries, in: Proceedings of the 41st International Conference on Machine Learning, Vol. 235 of Proceedings of Machine Learning Research, 2024, pp. 53681–53705.
  11. [11]M. A. Nabian, S. Chavare, D. Akhare, R. Ranade, R. Cherukuri, S. Tadepalli, Automotive crash dynamics modeling accelerated with machine learning, in: WCX SAE World Congress Experience 370157, 2026, pp. –.
  12. [12]H. Zhou, H. Wu, H. Shangguan, Y. Ma, H. Weng, J. Wang, M. Long, Transolver-3: Scaling up transformer solvers to industrial-scale geometries, arXiv preprint arXiv:2602.04940 (2026).
  13. [13]S. Wen, A. Kumbhat, L. Lingsch, S. Mousavi, Y. Zhao, P. Chandrasekar, S. Mishra, Geometry aware operator transformer as an efficient and accurate neural surrogate for PDEs on arbitrary domains (2025).
  14. [14]H. Luo, H. Wu, H. Zhou, L. Xing, Y. Di, J. Wang, M. Long, Transolver++: An accurate neural solver for pdes on million-scale geometries, arXiv preprint arXiv:2502.02414 (2025).
  15. [15]W. Hu, S. Liu, P. Qiao, Z. Sun, Y. Dou, Transolver is a linear transformer: Revisiting physics-attention through the lens of linear attention, in: Proceedings of the AAAI Conference on Artificial Intelligence, 2026, pp. 408–416.
  16. [16]H. Shangguan, H. Zhou, H. Wu, Y. Ma, J. Wang, M. Long, Transolver-σ: Joint spectral-physical subspace modeling for neural pde solving, arXiv preprint arXiv:2609.37279 (2026).
  17. [17]J. Brandstetter, D. E. Worrall, M. Welling, Message passing neural PDE solvers, in: International Conference on Learning Representations, 2022, pp. –.arxiv.org/abs/2202.03376
  18. [18]M. McCabe, P. Harrington, S. Subramanian, J. Brown, Towards stability of autoregressive neural operators, arXiv preprint arXiv:2306.10619 (2023).arxiv.org/abs/2306.10619
  19. [19]W. Diab, M. Al Kobaisi, Temporal neural operator for modeling time-dependent physical phenomena, Scientific Reports 15 (2025) 32791.
  20. [20]O. Ovadia, V. Oommen, A. Kahana, A. Peyvan, E. Turkel, G. E. Karniadakis, Real-time inference and extrapolation via a diffusion-inspired temporal transformer operator (DiTTO) (2023).
  21. [21]P. Ma, H. Yang, Z. Gao, D. S. Boning, J. Gu, PIC²O-Sim: A physics-inspired causality-aware dynamic convolutional neural operator for ultra-fast photonic device FDTD simulation (2024).
  22. [22]S. Levang, F. Bartolic, T. Dickinson, C. Dwelle, P. Rauba, V. Cikovejić, Timestep-conditioned transformers for global weather forecasting (2026).
  23. [23]X. Zhang, H. Yu, C. Wang, J. Helwig, S. Ji, X. Qian, Orbital transformers for predicting wavefunctions in time-dependent density functional theory (2026).arxiv.org/abs/2603.03511
  24. [24]V. Gopakumar, S. Pamela, L. Zanisi, Z. Li, A. Gray, D. Brennand, N. Bhatia, G. Stathopoulos, M. Kusner, M. P. Deisenroth, A. Anandkumar, JOREK Team, MAST Team, Plasma surrogate modelling using Fourier neural operators, Nuclear Fusion 64 (5) (2024) 056025.DOI
  25. [25]X. Zou, Z. Li, Y. Wang, H. Yang, J. Wang, Uncertainty quantification and stability of neural operators for prediction of three-dimensional turbulence, Journal of Computational Physics 549 (2026) 114640.arxiv.org/abs/2506.04898
  26. [26]G. Pan, H. Yang, Y. Wang, Z. Xu, J. Wang, N. Yi, Stable fine-time-step long-horizon turbulence prediction with a multi-stepsize mixture-of-experts neural operator (2026).DOI
  27. [27]P. Lippe, B. S. Veeling, P. Perdikaris, R. E. Turner, J. Brandstetter, PDE-refiner: Achieving accurate long rollouts with neural PDE solvers, in: Advances in Neural Information Processing Systems, Vol. 36, 2023, pp. 67398–67433.arxiv.org/abs/2308.05732
  28. [28]J. Chen, Flux-form spatiotemporal neural operators for coarse-grained dynamics of multiscale PDEs (2026).arxiv.org/abs/2608.18148
  29. [29]Z. Wu, S. Wang, S. Zhang, S. He, M. Zhu, A. Jiao, L. Lu, D. van Dijk, TANTE: Time-adaptive operator learning via neural Taylor expansion (2025).arxiv.org/abs/2502.08574
  30. [30]M. Takamoto, T. Praditia, R. Leiteritz, D. MacKinlay, F. Alesiani, D. Pflüger, M. Niepert, Pdebench: An extensive benchmark for scientific machine learning, Advances in neural information processing systems 35 (2022) 1596–1611.arxiv.org/abs/2210.07182
  31. [31]H. Hersbach, B. Bell, P. Berrisford, G. Biavati, A. Horányi, J. Muñoz Sabater, J. Nicolas, C. Peubey, R. Radu, I. Rozum, et al., Era5 hourly time-series data on single levels from 1940 to present, Copernicus Climate Change Service (C3S), editor.: Climate Data Store (CDS) (2025).
  32. [32]G. Gupta, X. Xiao, P. Bogdan, Multiwavelet-based operator learning for differential equations, Advances in neural information processing systems 34 (2021) 24048–24062.arxiv.org/abs/2109.13459
  33. [33]G. Wen, Z. Li, K. Azizzadenesheli, A. Anandkumar, S. M. Benson, U-fno—an enhanced fourier neural operator-based deep-learning model for multiphase flow, Advances in Water Resources 163 (2022) 104180.arxiv.org/abs/2109.03697
  34. [34]A. Tran, A. Mathews, L. Xie, C. S. Ong, Factorized fourier neural operators, arXiv preprint arXiv:2111.13802 (2021).arxiv.org/abs/2111.13802
  35. [35]S. Cao, Choose a transformer: Fourier or galerkin, Advances in neural information processing systems 34 (2021) 24924–24940.arxiv.org/abs/2105.14995
  36. [36]X. Liu, B. Xu, S. Cao, L. Zhang, Mitigating spectral bias for the multiscale operator learning, Journal of Computational Physics 506 (2024) 112944.arxiv.org/abs/2210.10890
  37. [37]H. Wu, T. Hu, H. Luo, J. Wang, M. Long, Solving high-dimensional pdes with latent spectral models, arXiv preprint arXiv:2301.12664 (2023).arxiv.org/abs/2301.12664
  38. [38]Z. Xiao, Z. Hao, B. Lin, Z. Deng, H. Su, Improved operator learning by orthogonal attention, arXiv preprint arXiv:2310.12487 (2023).arxiv.org/abs/2310.12487

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