# SIMSHIFT: A Benchmark for Adapting Neural Surrogates to Distribution Shifts

arXiv: https://arxiv.org/abs/2506.12007 · HTML: https://mlsanity.com/paper/2506.12007/

## Key facts

- Cited by 7 papers in the map (data through 14 Oct 2026).
- Builds on 68 of its 129 references that are in the map.
- First posted on arXiv 13 Jun 2025.

## Builds on (most cited first, 30 of 68)

- [Attention Is All You Need](https://mlsanity.com/paper/1706.03762/) (2017)
- [Inductive Representation Learning on Large Graphs](https://mlsanity.com/paper/1706.02216/) (2017)
- [Scalable Diffusion Models with Transformers](https://mlsanity.com/paper/2212.09748/) (2022)
- [PointNet: Deep Learning on Point Sets for 3D Classification and Segmentation](https://mlsanity.com/paper/1612.00593/) (2016)
- [Domain-Adversarial Training of Neural Networks](https://mlsanity.com/paper/1505.07818/) (2015)
- [Fourier Neural Operator for Parametric Partial Differential Equations](https://mlsanity.com/paper/2010.08895/) (2020)
- [FiLM: Visual Reasoning with a General Conditioning Layer](https://mlsanity.com/paper/1709.07871/) (2017)
- [DeepONet: Learning nonlinear operators for identifying differential equations based on the universal approximation theorem of operators](https://mlsanity.com/paper/1910.03193/) (2019)
- [Invariant Risk Minimization](https://mlsanity.com/paper/1907.02893/) (2019)
- [WILDS: A Benchmark of in-the-Wild Distribution Shifts](https://mlsanity.com/paper/2012.07421/) (2020)
- [Relational inductive biases, deep learning, and graph networks](https://mlsanity.com/paper/1806.01261/) (2018)
- [Moment Matching for Multi-Source Domain Adaptation](https://mlsanity.com/paper/1812.01754/) (2018)
- [Adversarial Discriminative Domain Adaptation](https://mlsanity.com/paper/1702.05464/) (2017)
- [Deep CORAL: Correlation Alignment for Deep Domain Adaptation](https://mlsanity.com/paper/1607.01719/) (2016)
- [Deep Hashing Network for Unsupervised Domain Adaptation](https://mlsanity.com/paper/1706.07522/) (2017)
- [Learning Mesh-Based Simulation with Graph Networks](https://mlsanity.com/paper/2010.03409/) (2020)
- [FourCastNet: A Global Data-driven High-resolution Weather Model using Adaptive Fourier Neural Operators](https://mlsanity.com/paper/2202.11214/) (2022)
- [Neural Operator: Graph Kernel Network for Partial Differential Equations](https://mlsanity.com/paper/2003.03485/) (2020)
- [Perceiver IO: A General Architecture for Structured Inputs & Outputs](https://mlsanity.com/paper/2107.14795/) (2021)
- [Deep Domain Confusion: Maximizing for Domain Invariance](https://mlsanity.com/paper/1412.3474/) (2014)
- [A Survey of Deep Active Learning](https://mlsanity.com/paper/2009.00236/) (2020)
- [Optimal Transport for Domain Adaptation](https://mlsanity.com/paper/1507.00504/) (2015)
- [SWAD: Domain Generalization by Seeking Flat Minima](https://mlsanity.com/paper/2102.08604/) (2021)
- [Neural Operator: Learning Maps Between Function Spaces](https://mlsanity.com/paper/2108.08481/) (2021)
- [PDEBENCH: An Extensive Benchmark for Scientific Machine Learning](https://mlsanity.com/paper/2210.07182/) (2022)
- [A Survey of Unsupervised Deep Domain Adaptation](https://mlsanity.com/paper/1812.02849/) (2018)
- [Unsupervised Domain Adaptation with Residual Transfer Networks](https://mlsanity.com/paper/1602.04433/) (2016)
- [ClimaX: A foundation model for weather and climate](https://mlsanity.com/paper/2301.10343/) (2023)
- [Bridging Theory and Algorithm for Domain Adaptation](https://mlsanity.com/paper/1904.05801/) (2019)
- [Transolver: A Fast Transformer Solver for PDEs on General Geometries](https://mlsanity.com/paper/2402.02366/) (2024)

## Built on by (most cited first, 7 of 7)

- [GyroSwin: 5D Surrogates for Gyrokinetic Plasma Turbulence Simulations](https://mlsanity.com/paper/2510.07314/) (2025)
- [Diagnosing Failure Modes of Neural Operators Across Diverse PDE Families](https://mlsanity.com/paper/2601.11428/) (2026)
- [Semigroup Consistency as a Diagnostic for Learned Physics Simulators](https://mlsanity.com/paper/2605.26324/) (2026)
- [Generalization vs. Memorization in Autoregressive Deep Learning: Or, Examining Temporal Decay of Gradient Coherence](https://mlsanity.com/paper/2509.00024/) (2025)
- [Stabilizing Test-Time Adaptation of High-Dimensional Simulation Surrogates via D-Optimal Statistics](https://mlsanity.com/paper/2602.15820/) (2026)
- [How Does Distribution Shift Shape Pretraining Gains in Neural PDE Surrogates?](https://mlsanity.com/paper/2609.20814/) (2026)
- [Into the danger zone: stable extrapolation in high-dimensional function and operator learning](https://mlsanity.com/paper/2609.36709/) (2026)

## Abstract (arXiv)

Neural surrogates for Partial Differential Equations (PDEs) often suffer significant performance degradation when evaluated on problem configurations outside their training distribution, such as new initial conditions or structural dimensions. While Unsupervised Domain Adaptation (UDA) techniques have been widely used in vision and language to generalize across domains without additional labeled data, their application to complex engineering simulations remains largely unexplored. In this work, we address this gap through two focused contributions. First, we introduce SIMSHIFT, a novel benchmark dataset and evaluation suite composed of four industrial simulation tasks spanning diverse processes and physics: hot rolling, sheet metal forming, electric motor design and heatsink design. Second, we extend established UDA methods to state-of-the-art neural surrogates and systematically evaluate them. Extensive experiments on SIMSHIFT highlight the challenges of out-of-distribution neural surrogate modeling, demonstrate the potential of UDA in simulation, and reveal open problems in achieving robust neural surrogates under distribution shifts in industrially relevant scenarios. Our codebase is available at https://github.com/psetinek/simshift