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Payel Mukhopadhyay

Publications and source records attributed to Payel Mukhopadhyay.

At least 19 recordsLinked to original sources

From Simulated Fluids to Living Tissue: Zero-Shot Foundation Model Transfer to Perturbed Embryos

Morphogenesis is driven by the interplay of genetic regulation and tissue mechanics. In vivo video data is limited, particularly under genetic mutations and environmental perturbations, making generalization beyond the most representative conditions in the dataset challenging. However, at tissue scales, the dynamics of Drosophila can be described as a continuum flow, motivating the usage of representations learned across other physical systems as priors for developmental dynamics. We investigate finetuning Walrus, a Continuum Dynamics Foundation Model pretrained across a broad set of simulated continuous systems, on tissue velocity fields from only 12 wild-type Drosophila blastoderm videos. We evaluate autoregressive prediction both in-distribution and zero-shot under unseen temperature and genetic perturbations. Zero-shot refers to evaluation on perturbation conditions never seen during wild-type finetuning, without any additional training. In-distribution, a Fourier Neural Operator model trained from scratch achieves best performance on VRMSE. However, Walrus (CRPS) is the strongest model under the most severe distribution shift of unseen samples of mutated embryos and temperature conditions. Interestingly, predictions capture the shape of the mean surface tissue velocity trajectory and its separation between 17°C and 27°C, including the timing of the peak at Germ Band Extension onset, a biologically meaningful milestone of embryo development. Our results provide preliminary support that representations learned from different dynamical systems can transfer to experimental morphogenesis in developmental regimes, provided they admit a continuum description. More broadly, our results motivate further study of physics foundation models as a new complementary tool for the simulation of morphogenesis in low-data regimes.

cs.LG↗

Mesh-Native Tokenisation: Retrofitting Foundation Models to Unstructured Data

Physics foundation models are an increasingly popular approach for building versatile emulators for spatiotemporal systems. They require tokenisation layers that lift physical field data into a latent representation suitable for dynamic processing. A typical choice for this layer is a convolutional encoder, which lifts field information in a locality-aware way and can be trained very efficiently. However, this choice cannot be applied to a large class of scientific computing problems where data are represented on unstructured meshes, for example simulations on domains with curved boundaries. Such data typically require graph neural network architectures, which are more expensive to train and, in the form currently used, encode information differently from their CNN counterparts, thus limiting the portability of physics emulators between these data regimes. In this work we introduce Mesh-Native Convolution (MNC), a locality-aware tokenisation layer that encodes unstructured mesh-based data in a way that is analogous to CNNs. This approach leads to models that can be trained once on mesh data and then deployed to arbitrary unstructured meshes, even if these are irregular, with minimal retraining. We show that this tokenisation approach can be used to retrofit grid-pretrained foundation models efficiently on unstructured meshes and provide theoretical results to confirm the consistency of this approach with classical CNN encoders. We demonstrate the favourable performance of this retrofitting approach, which in many cases reaches acceptable accuracy even in zero-shot deployment, and outperforms existing baselines after only a few epochs of fine-tuning, thus providing an efficient bridge between the two data regimes.

cs.CE↗

Solar-System Abundances of $p$-Nuclides Probe Collective Neutrino Oscillations in Supernovae

Direct evidence for collective neutrino oscillations in core-collapse supernovae remains elusive. We show that this quantum phenomenon leaves a footprint on the abundance pattern of proton-rich nuclides in the solar system. Modeling the $νp$-process using a $20\,M_\odot$ progenitor, we map out the dependence of the total yields on the starting radius of the oscillations, self-consistently coupling hydrodynamics and nucleosynthesis. The oscillations boost key $p$-nuclides ($^{92,94}\text{Mo}$, $^{96,98}\text{Ru}$) and long-lived $^{92}\text{Nb}$ by up to two orders of magnitude, bringing their abundances into agreement with the observations. The best match is found when oscillations commence within $10\text{ km}$ of the proto-neutron star surface, indicating fast collective oscillations.

hep-ph↗

Walrus: A Cross-Domain Foundation Model for Continuum Dynamics

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.

cs.LG↗

Otter Weather: Skillful and Computationally Efficient Medium-Range Weather Forecasting

State-of-the-art medium-range AI weather models can outperform traditional Numerical Weather Prediction (NWP) but require massive training budgets. This restricts usage for under-resourced groups and severely limits fast model iteration. Here we develop Otter Weather, a highly efficient spatiotemporal forecasting model designed to democratise high-performance weather prediction with AI. Evaluated on ERA5 reanalysis data at 1.5° resolution using standard WeatherBench protocols, the Otter family significantly advances the skill-compute Pareto frontier. The deterministic version outperforms the best NWP baseline by 9.6% at a 24-hour lead time while requiring fewer than 3.5 A100-days for training. It provides a 2x efficiency gain over lightweight AI models and a 100-fold reduction in compute compared to resource-intensive frontier architectures. We extend these efficiency gains into probabilistic forecasting by training via the Continuous Ranked Probability Score (CRPS). Scaling to a larger architecture, Otter-XL achieves a 9.7% CRPS improvement over the IFS ENS baseline. This yields an almost two-fold increase in predictive skill over comparable lightweight models at similar compute budgets. Otter-XL also outperforms frontier architectures like GenCast by over 2%, while using an order of magnitude less compute. Finally, Otter is applied out-of-the-box to a complex acoustic scattering PDE task where it outperforms a state-of-the-art foundation modelling approach, suggesting that the advances made here might apply across a range of scientific domains.

cs.LG↗

Probabilistic Retrofitting of Learned Simulators

Dominant approaches for modelling Partial Differential Equations (PDEs) rely on deterministic predictions, yet many physical systems of interest are inherently chaotic and uncertain. While training probabilistic models from scratch is possible, it is computationally expensive and fails to leverage the significant resources already invested in high-performing deterministic backbones. In this work, we adopt a training-efficient strategy to transform pre-trained deterministic models into probabilistic ones via retrofitting with a proper scoring rule: the Continuous Ranked Probability Score (CRPS). Crucially, this approach is architecture-agnostic: it applies the same adaptation mechanism across distinct model backbones with minimal code modifications. The method proves highly effective across different scales of pre-training: for models trained on single dynamical systems, we achieve 20-54% reductions in rollout CRPS and up to 30% improvements in variance-normalised RMSE (VRMSE) relative to compute-matched deterministic fine-tuning. We further validate our approach on a PDE foundation model, trained on multiple systems and retrofitted on the dataset of interest, to show that our probabilistic adaptation yields an improvement of up to 40% in CRPS and up to 15% in VRMSE compared to deterministic fine-tuning. Validated across diverse architectures and dynamics, our results show that probabilistic PDE modelling need not require retraining from scratch, but can be unlocked from existing deterministic backbones with modest additional training cost.

cs.LG↗

Emergent Transfer of a Physics Foundation Model from Simulation to Laboratory Turbulence

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.

physics.flu-dyn↗

MIMIC: A Generative Multimodal Foundation Model for Biomolecules

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.

cs.AI↗

On the Value of Tokeniser Pretraining in Physics Foundation Models

We investigate the impact of tokeniser pretraining on the accuracy and efficiency of physics emulation. Modern high-resolution simulations produce vast volumes of data spanning diverse physical regimes and scales. Training foundation models to learn the dynamics underlying such data enables the modelling of complex multiphysics phenomena, especially in data-limited settings. The emerging class of physics foundation models typically aims to learn two tasks jointly: (i) extracting compact representations of high-resolution spatiotemporal data, and (ii) capturing governing physical dynamics. However, learning both tasks from scratch simultaneously can impede the effectiveness of either process. We show that pretraining the tokeniser with an autoencoding objective prior to training the dynamics model enhances computational efficiency for physics emulation. Notably, the magnitude of this benefit depends on domain alignment: pretraining on the same physical system as the emulation task yields the largest improvements, while pretraining on other systems provides moderate gains. In-domain pretraining reduces VRMSE by 64% after 10,500 training steps compared to training from scratch. To our knowledge, this is the first systematic investigation of tokeniser pretraining for physics foundation models. We further introduce flexible spatiotemporal compression operations that extend causal convolutions to support runtime-adjustable compression ratios, enabling efficient adaptation to diverse downstream tasks. Our findings provide practical guidance for training efficient physics emulators and highlight the importance of strategic pretraining data selection.

cs.LG↗

Overtone: Cyclic Patch Modulation for Clean, Efficient, and Flexible Physics Emulators

Transformer-based PDE surrogates achieve remarkable performance but face two key challenges: fixed patch sizes cause systematic error accumulation at harmonic frequencies, and computational costs remain inflexible regardless of problem complexity or available resources. We introduce Overtone, a unified solution through dynamic patch size control at inference. Overtone's key insight is that cyclically modulating patch sizes during autoregressive rollouts distributes errors across the frequency spectrum, mitigating the systematic harmonic artifact accumulation that plague fixed-patch models. We implement this through two architecture-agnostic modules--CSM (using dynamic stride modulation) and CKM (using dynamic kernel resizing)--that together provide both harmonic mitigation and compute-adaptive deployment. This flexible tokenization lets users trade accuracy for speed dynamically based on computational constraints, and the cyclic rollout strategy yields up to 40% lower long rollout error in variance-normalised RMSE (VRMSE) compared to conventional, static-patch surrogates. Across challenging 2D and 3D PDE benchmarks, one Overtone model matches or exceeds fixed-patch baselines across inference compute budgets, when trained under a fixed total training budget setting.

cs.LG↗

Physics Steering: Causal Control of Cross-Domain Concepts in a Physics Foundation Model

Recent advances in mechanistic interpretability have revealed that large language models (LLMs) develop internal representations corresponding not only to concrete entities but also distinct, human-understandable abstract concepts and behaviour. Moreover, these hidden features can be directly manipulated to steer model behaviour. However, it remains an open question whether this phenomenon is unique to models trained on inherently structured data (ie. language, images) or if it is a general property of foundation models. In this work, we investigate the internal representations of a large physics-focused foundation model. Inspired by recent work identifying single directions in activation space for complex behaviours in LLMs, we extract activation vectors from the model during forward passes over simulation datasets for different physical regimes. We then compute "delta" representations between the two regimes. These delta tensors act as concept directions in activation space, encoding specific physical features. By injecting these concept directions back into the model during inference, we can steer its predictions, demonstrating causal control over physical behaviours, such as inducing or removing some particular physical feature from a simulation. These results suggest that scientific foundation models learn generalised representations of physical principles. They do not merely rely on superficial correlations and patterns in the simulations. Our findings open new avenues for understanding and controlling scientific foundation models and has implications for AI-enabled scientific discovery.

cs.LG↗

Predicting partially observable dynamical systems via diffusion models with a multiscale inference scheme

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.

cs.LG↗

Universal Spectral Tokenization via Self-Supervised Panchromatic Representation Learning

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.

astro-ph.IM↗

AION-1: Omnimodal Foundation Model for Astronomical Sciences

While foundation models have shown promise across a variety of fields, astronomy still lacks a unified framework for joint modeling across its highly diverse data modalities. In this paper, we present AION-1, a family of large-scale multimodal foundation models for astronomy. AION-1 integrates heterogeneous imaging, spectroscopic, and scalar data using a two-stage architecture: modality-specific tokenization followed by transformer-based masked modeling of cross-modal token sequences. The model is pretrained on five large-scale surveys: Legacy Survey, Hyper Suprime-Cam (HSC), Sloan Digital Sky Survey (SDSS), Dark Energy Spectroscopic Instrument (DESI), and Gaia. These span more than 200 million observations of stars, galaxies, and quasars. With a single frozen encoder, AION-1 achieves strong results on a broad suite of downstream tasks, including galaxy and stellar property estimation, galaxy morphology classification, similarity-based retrieval, galaxy image segmentation, and spectral super-resolution. We release AION-1 model variants ranging from 300 M to 3.1 B parameters. Beyond astronomy, AION-1 provides a scalable blueprint for multimodal scientific foundation models that can seamlessly integrate noisy, instrument-specific observations. All code, tokenizers, pretrained weights, and a lightweight evaluation suite are released under an open-source license.

astro-ph.IM↗

Angle-dependent in-situ fast flavor transformations in post-neutron star merger disks

The remnant black hole-accretion disk system resulting from binary neutron star mergers has proven to be a promising site for synthesizing the heaviest elements via rapid neutron capture (r-process). A critical factor in determining the full r-process pattern in these environments is the neutron richness of the ejecta, which is strongly influenced by neutrino interactions. One key ingredient shaping these interactions is fast neutrino flavor conversions (FFCs), which arise due to angular crossings in neutrino distributions and occur on nanosecond timescales. We present the first three-dimensional, in-situ, angle-dependent modeling of FFCs in post-merger disks, implemented within general relativistic magnetohydrodynamics with Monte Carlo neutrino transport. Our results reveal that, by suppressing electron neutrinos, FFCs more efficiently cool the disk and weaken the early thermally driven wind. Less re-leptonization due to electron neutrino absorption makes this cooler wind more neutron-rich, producing a more robust r-process at higher latitudes of the outflow. This study underscores the necessity of incorporating FFCs in realistic simulations.

astro-ph.HE↗

The Well: a Large-Scale Collection of Diverse Physics Simulations for Machine Learning

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.

cs.LG↗

Successful $νp$-process in neutrino-driven outflows in core-collapse supernovae

The origin of the solar system abundances of several proton-rich isotopes, especially $^{92,94}$Mo and $^{96,98}$Ru, has been an enduring mystery in nuclear astrophysics. An attractive proposal to solve this problem is the $νp$-process, which can operate in neutrino-driven outflows in a core-collapse supernova after the shock is launched. Years of detailed studies, however, have cast doubt over the ability of this process to generate sufficiently high absolute and relative amounts of various $p$-nuclei. The $νp$-process is also thought to be excluded by arguments based on the long-lived radionuclide $^{92}$Nb.Here, we present explicit calculations, in which both the abundance ratios and the absolute yields of the $p$-nuclei up to $A\lesssim 105$ are successfully reproduced, even when using the modern (medium enhanced) triple-$α$ reaction rates. The process is also shown to produce the necessary amounts of $^{92}$Nb. The models are characterized by subsonic outflows and by the protoneutron star masses in the $\gtrsim 1.7 M_\odot$ range. This suggests that the Mo and Ru $p$-nuclides observed in the Solar System were made in CCSN explosions characterized by an extended accretion stage.

astro-ph.HE↗

The time evolution of fast flavor crossings in post-merger disks around a black hole remnant

We postprocess a three-dimensional general relativistic, full transport neutrino radiation magnetohydrodynamics simulation of the black hole--accretion disk--wind system thought to be a potential outcome of the GW170817 merger to investigate the presence of electron lepton number (ELN-XLN) crossings in the neutrino angular distribution. Neutrinos are evolved with an explicit Monte Carlo method and can interact with matter via emission, absorption, or scattering. Within the postprocessing framework, we find ubiquitous occurrence of ELN-XLN crossings at early times ($\sim$ 11ms) but this does not hold for later times in the simulation. At postmerger times of $ \sim$ 60 ms and beyond, ELN-XLN crossings are only present near the equator. We provide a detailed analysis of the neutrino radiation field to investigate the origin and time evolution of these crossings. Previous reports have suggested ubiquitous flavor crossings persisting throughout the simulation lifetime, albeit for different sets of conditions for the merger remnant, the treatment of hydrodynamics and neutrino transport. Even though we do not perform a direct comparison with other published works, we qualitatively assess the reasons for the difference with our results. The geometric structure and evolution of the ELN-XLN crossings found in our analysis, and by extension, fast flavor instabilities have important implications for heavy element nucleosynthesis in neutron star mergers.

astro-ph.HE↗