DATA-ANApr 19, 2022
Scale Dependencies and Self-Similar Models with Wavelet Scattering SpectraRudy Morel, Gaspar Rochette, Roberto Leonarduzzi et al.
We introduce the wavelet scattering spectra which provide non-Gaussian models of time-series having stationary increments. A complex wavelet transform computes signal variations at each scale. Dependencies across scales are captured by the joint correlation across time and scales of wavelet coefficients and their modulus. This correlation matrix is nearly diagonalized by a second wavelet transform, which defines the scattering spectra. We show that this vector of moments characterizes a wide range of non-Gaussian properties of multi-scale processes. We prove that self-similar processes have scattering spectra which are scale invariant. This property can be tested statistically on a single realization and defines a class of wide-sense self-similar processes. We build maximum entropy models conditioned by scattering spectra coefficients, and generate new time-series with a microcanonical sampling algorithm. Applications are shown for highly non-Gaussian financial and turbulence time-series.
FLU-DYNMay 31
Emergent Transfer of a Physics Foundation Model from Simulation to Laboratory TurbulencePayel Mukhopadhyay, Stefan S. Nixon, Romain Watteaux et al.
Whether physics foundation models can be usefully deployed on laboratory experiments remains an open question for scientific machine learning (ML). We test this question on the Rayleigh-Taylor instability (RTI), a ubiquitous and demanding fluid instability seen from tabletop flows to supernova explosions, in which small perturbations at a density interface grow into chaotic, multiscale mixing as a lighter fluid accelerates into a heavier one. Standard ML models struggle with RTI, and despite over a century of theoretical, numerical, and experimental work, it carries an unresolved discrepancy between simulation and experiment: the late-time mixing growth rate, $α$, measured in most laboratory experiments ($\sim$ 0.06-0.07), is roughly three times the value from idealized direct numerical simulations (DNS, $\sim$ 0.02). The gap's origin remains debated. These properties make RTI a stringent test for a question that matters well beyond RTI: can foundation models trained only on simulations generalise to sparse, messy, and noisy laboratory settings? We finetune Walrus, a foundation model for continuum dynamics, on three or fewer DNS realizations and recover key RTI physics over long rollouts. Applied zero-shot to sliding-barrier laboratory data, the finetuned model leaves the DNS-like regime and enters the observed growth band, having never seen a single experimental sample. These results provide independent, data-driven evidence that initial conditions play a crucial role in the longstanding sim-experiment gap in $α$. The model also generalises zero-shot to stable stratification, a buoyancy regime absent from training, correctly slowing mixing-layer growth. Together, our results show that foundation models can generalise well beyond their training data, predicting laboratory behavior and unseen physical regimes, opening new ways to probe longstanding simulation-experiment gaps.
DATA-ANJun 29, 2023
Scattering Spectra Models for PhysicsSihao Cheng, Rudy Morel, Erwan Allys et al.
Physicists routinely need probabilistic models for a number of tasks such as parameter inference or the generation of new realizations of a field. Establishing such models for highly non-Gaussian fields is a challenge, especially when the number of samples is limited. In this paper, we introduce scattering spectra models for stationary fields and we show that they provide accurate and robust statistical descriptions of a wide range of fields encountered in physics. These models are based on covariances of scattering coefficients, i.e. wavelet decomposition of a field coupled with a point-wise modulus. After introducing useful dimension reductions taking advantage of the regularity of a field under rotation and scaling, we validate these models on various multi-scale physical fields and demonstrate that they reproduce standard statistics, including spatial moments up to 4th order. These scattering spectra provide us with a low-dimensional structured representation that captures key properties encountered in a wide range of physical fields. These generic models can be used for data exploration, classification, parameter inference, symmetry detection, and component separation.
LGMar 13Code
Representation Learning for Spatiotemporal Physical SystemsHelen Qu, Rudy Morel, Michael McCabe et al.
Machine learning approaches to spatiotemporal physical systems have primarily focused on next-frame prediction, with the goal of learning an accurate emulator for the system's evolution in time. However, these emulators are computationally expensive to train and are subject to performance pitfalls, such as compounding errors during autoregressive rollout. In this work, we take a different perspective and look at scientific tasks further downstream of predicting the next frame, such as estimation of a system's governing physical parameters. Accuracy on these tasks offers a uniquely quantifiable glimpse into the physical relevance of the representations of these models. We evaluate the effectiveness of general-purpose self-supervised methods in learning physics-grounded representations that are useful for downstream scientific tasks. Surprisingly, we find that not all methods designed for physical modeling outperform generic self-supervised learning methods on these tasks, and methods that learn in the latent space (e.g., joint embedding predictive architectures, or JEPAs) outperform those optimizing pixel-level prediction objectives. Code is available at https://github.com/helenqu/physical-representation-learning.
LGJan 27, 2023
Unearthing InSights into Mars: Unsupervised Source Separation with Limited DataAli Siahkoohi, Rudy Morel, Maarten V. de Hoop et al.
Source separation involves the ill-posed problem of retrieving a set of source signals that have been observed through a mixing operator. Solving this problem requires prior knowledge, which is commonly incorporated by imposing regularity conditions on the source signals, or implicitly learned through supervised or unsupervised methods from existing data. While data-driven methods have shown great promise in source separation, they often require large amounts of data, which rarely exists in planetary space missions. To address this challenge, we propose an unsupervised source separation scheme for domains with limited data access that involves solving an optimization problem in the wavelet scattering covariance representation space$\unicode{x2014}$an interpretable, low-dimensional representation of stationary processes. We present a real-data example in which we remove transient, thermally-induced microtilts$\unicode{x2014}$known as glitches$\unicode{x2014}$from data recorded by a seismometer during NASA's InSight mission on Mars. Thanks to the wavelet scattering covariances' ability to capture non-Gaussian properties of stochastic processes, we are able to separate glitches using only a few glitch-free data snippets.
LGNov 30, 2024Code
The Well: a Large-Scale Collection of Diverse Physics Simulations for Machine LearningRuben Ohana, Michael McCabe, Lucas Meyer et al. · cambridge
Machine learning based surrogate models offer researchers powerful tools for accelerating simulation-based workflows. However, as standard datasets in this space often cover small classes of physical behavior, it can be difficult to evaluate the efficacy of new approaches. To address this gap, we introduce the Well: a large-scale collection of datasets containing numerical simulations of a wide variety of spatiotemporal physical systems. The Well draws from domain experts and numerical software developers to provide 15TB of data across 16 datasets covering diverse domains such as biological systems, fluid dynamics, acoustic scattering, as well as magneto-hydrodynamic simulations of extra-galactic fluids or supernova explosions. These datasets can be used individually or as part of a broader benchmark suite. To facilitate usage of the Well, we provide a unified PyTorch interface for training and evaluating models. We demonstrate the function of this library by introducing example baselines that highlight the new challenges posed by the complex dynamics of the Well. The code and data is available at https://github.com/PolymathicAI/the_well.
AIApr 27
MIMIC: A Generative Multimodal Foundation Model for BiomoleculesSiavash Golkar, Jake Kovalic, Irina Espejo Morales et al.
Biological function emerges from coupled constraints across sequence, structure, regulation, evolution, and cellular context, yet most foundation models in biology are trained within one modality or for a fixed forward task. We present MIMIC, a generative multimodal foundation model trained on our newly curated and aligned dataset, LORE, linking nucleic acid, protein, evolutionary, structural, regulatory, and semantic/contextual modalities within partially observed biomolecular states. MIMIC uses a split-track encoder-decoder architecture to condition on arbitrary subsets of observed modalities and reconstruct or generate missing components of molecular state across the genome, transcriptome, and proteome. Multimodal conditioning consistently improves MIMIC's sequence reconstruction relative to sequence-only inputs, while its learned representations enable state-of-the-art performance on RNA and protein downstream tasks. MIMIC achieves state-of-the-art splicing prediction, and its joint generative formulation enables isoform-aware inference that further improves performance. Beyond prediction, the same generative framework supports constrained design. For RNA, MIMIC identifies corrective edits in a clinically relevant HBB splice-disrupting mutation without reverting it by using evolutionary and structural signals. For proteins, jointly conditioning on shape and surface chemistry of PD-L1 and hACE2 binding sites produces diverse, high-confidence sequences with strong in silico support for target binding. Finally, MIMIC uses experimental context as semantic conditioning to model assay-dependent RNA chemical probing, rather than treating context as a fixed output. Together, these results position MIMIC's aligned multimodal generative modeling as a strong foundation for unifying representation learning, conditional prediction, and constrained biomolecular design within a single model.
LGApr 28, 2025
DISCO: learning to DISCover an evolution Operator for multi-physics-agnostic predictionRudy Morel, Jiequn Han, Edouard Oyallon
We address the problem of predicting the next state of a dynamical system governed by unknown temporal partial differential equations (PDEs) using only a short trajectory. While standard transformers provide a natural black-box solution to this task, the presence of a well-structured evolution operator in the data suggests a more tailored and efficient approach. Specifically, when the PDE is fully known, classical numerical solvers can evolve the state accurately with only a few parameters. Building on this observation, we introduce DISCO, a model that uses a large hypernetwork to process a short trajectory and generate the parameters of a much smaller operator network, which then predicts the next state through time integration. Our framework decouples dynamics estimation (i.e., DISCovering an evolution operator from a short trajectory) from state prediction (i.e., evolving this operator). Experiments show that pretraining our model on diverse physics datasets achieves state-of-the-art performance while requiring significantly fewer epochs. Moreover, it generalizes well and remains competitive when fine-tuned on downstream tasks.
LGNov 19, 2025
Walrus: A Cross-Domain Foundation Model for Continuum DynamicsMichael McCabe, Payel Mukhopadhyay, Tanya Marwah et al. · cambridge
Foundation models have transformed machine learning for language and vision, but achieving comparable impact in physical simulation remains a challenge. Data heterogeneity and unstable long-term dynamics inhibit learning from sufficiently diverse dynamics, while varying resolutions and dimensionalities challenge efficient training on modern hardware. Through empirical and theoretical analysis, we incorporate new approaches to mitigate these obstacles, including a harmonic-analysis-based stabilization method, load-balanced distributed 2D and 3D training strategies, and compute-adaptive tokenization. Using these tools, we develop Walrus, a transformer-based foundation model developed primarily for fluid-like continuum dynamics. Walrus is pretrained on nineteen diverse scenarios spanning astrophysics, geoscience, rheology, plasma physics, acoustics, and classical fluids. Experiments show that Walrus outperforms prior foundation models on both short and long term prediction horizons on downstream tasks and across the breadth of pretraining data, while ablation studies confirm the value of our contributions to forecast stability, training throughput, and transfer performance over conventional approaches. Code and weights are released for community use.
LGNov 24, 2025
Predicting partially observable dynamical systems via diffusion models with a multiscale inference schemeRudy Morel, Francesco Pio Ramunno, Jeff Shen et al.
Conditional diffusion models provide a natural framework for probabilistic prediction of dynamical systems and have been successfully applied to fluid dynamics and weather prediction. However, in many settings, the available information at a given time represents only a small fraction of what is needed to predict future states, either due to measurement uncertainty or because only a small fraction of the state can be observed. This is true for example in solar physics, where we can observe the Sun's surface and atmosphere, but its evolution is driven by internal processes for which we lack direct measurements. In this paper, we tackle the probabilistic prediction of partially observable, long-memory dynamical systems, with applications to solar dynamics and the evolution of active regions. We show that standard inference schemes, such as autoregressive rollouts, fail to capture long-range dependencies in the data, largely because they do not integrate past information effectively. To overcome this, we propose a multiscale inference scheme for diffusion models, tailored to physical processes. Our method generates trajectories that are temporally fine-grained near the present and coarser as we move farther away, which enables capturing long-range temporal dependencies without increasing computational cost. When integrated into a diffusion model, we show that our inference scheme significantly reduces the bias of the predicted distributions and improves rollout stability.
IMOct 20, 2025
Universal Spectral Tokenization via Self-Supervised Panchromatic Representation LearningJeff Shen, Francois Lanusse, Liam Holden Parker et al. · cambridge
Sequential scientific data span many resolutions and domains, and unifying them into a common representation is a key step toward developing foundation models for the sciences. Astronomical spectra exemplify this challenge: massive surveys have collected millions of spectra across a wide range of wavelengths and resolutions, yet analyses remain fragmented across spectral domains (e.g., optical vs. infrared) and object types (e.g., stars vs. galaxies), limiting the ability to pool information across datasets. We present a deep learning model that jointly learns from heterogeneous spectra in a self-supervised manner. Our universal spectral tokenizer processes spectra from a variety of object types and resolutions directly on their native wavelength grids, producing intrinsically aligned, homogeneous, and physically meaningful representations that can be efficiently adapted to achieve competitive performance across a range of downstream tasks. For the first time, we demonstrate that a single model can unify spectral data across resolutions and domains, suggesting that our model can serve as a powerful building block for foundation models in astronomy -- and potentially extend to other scientific domains with heterogeneous sequential data, such as climate and healthcare.
LGMay 25, 2023
Multi-scale clustering and source separation of InSight mission seismic dataAli Siahkoohi, Rudy Morel, Randall Balestriero et al.
Unsupervised source separation involves unraveling an unknown set of source signals recorded through a mixing operator, with limited prior knowledge about the sources, and only access to a dataset of signal mixtures. This problem is inherently ill-posed and is further challenged by the variety of timescales exhibited by sources in time series data from planetary space missions. As such, a systematic multi-scale unsupervised approach is needed to identify and separate sources at different timescales. Existing methods typically rely on a preselected window size that determines their operating timescale, limiting their capacity to handle multi-scale sources. To address this issue, we propose an unsupervised multi-scale clustering and source separation framework by leveraging wavelet scattering spectra that provide a low-dimensional representation of stochastic processes, capable of distinguishing between different non-Gaussian stochastic processes. Nested within this representation space, we develop a factorial variational autoencoder that is trained to probabilistically cluster sources at different timescales. To perform source separation, we use samples from clusters at multiple timescales obtained via the factorial variational autoencoder as prior information and formulate an optimization problem in the wavelet scattering spectra representation space. When applied to the entire seismic dataset recorded during the NASA InSight mission on Mars, containing sources varying greatly in timescale, our approach disentangles such different sources, e.g., minute-long transient one-sided pulses (known as "glitches") and structured ambient noises resulting from atmospheric activities that typically last for tens of minutes, and provides an opportunity to conduct further investigations into the isolated sources.