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Dec 30

Tides on Lava Worlds: Application to Close-in Exoplanets and the Early Earth-Moon System

Understanding the physics of planetary magma oceans has been the subject of growing efforts, in light of the increasing abundance of Solar system samples and extrasolar surveys. A rocky planet harboring such an ocean is likely to interact tidally with its host star, planetary companions, or satellites. To date, however, models of the tidal response and heat generation of magma oceans have been restricted to the framework of weakly viscous solids, ignoring the dynamical fluid behavior of the ocean beyond a critical melt fraction. Here we provide a handy analytical model that accommodates this phase transition, allowing for a physical estimation of the tidal response of lava worlds. We apply the model in two settings: The tidal history of the early Earth-Moon system in the aftermath of the giant impact; and the tidal interplay between short-period exoplanets and their host stars. For the former, we show that the fluid behavior of the Earth's molten surface drives efficient early Lunar recession to {sim} 25 Earth radii within 10^4{-} 10^5 years, in contrast with earlier predictions. For close-in exoplanets, we report on how their molten surfaces significantly change their spin-orbit dynamics, allowing them to evade spin-orbit resonances and accelerating their track towards tidal synchronization from a Gyr to Myr timescale. Moreover, we re-evaluate the energy budgets of detected close-in exoplanets, highlighting how the surface thermodynamics of these planets are likely controlled by enhanced, fluid-driven tidal heating, rather than vigorous insolation, and how this regime change substantially alters predictions for their surface temperatures.

  • 5 authors
·
Dec 10, 2024

Spin pumping by a moving domain wall at the interface of an antiferromagnetic insulator and a two-dimensional metal

A domain wall (DW) which moves parallel to a magnetically compensated interface between an antiferromagnetic insulator (AFMI) and a two-dimensional (2D) metal can pump spin polarization into the metal. It is assumed that localized spins of a collinear AFMI interact with itinerant electrons through their exchange interaction on the interface. We employed the formalism of Keldysh Green's functions for electrons which experience potential and spin-orbit scattering on random impurities. This formalism allows a unified analysis of spin pumping, spin diffusion and spin relaxation effects on a 2D electron gas. It is shown that the pumping of a nonstaggered magnetization into the metal film takes place in the second order with respect to the interface exchange interaction. At sufficiently weak spin relaxation this pumping effect can be much stronger than the first-order effect of the Pauli magnetism which is produced by the small nonstaggered exchange field of the DW. It is shown that the pumped polarization is sensitive to the geometry of the electron's Fermi surface and increases when the wave vector of the staggered magnetization approaches the nesting vector of the Fermi surface. In a disordered diffusive electron gas the induced spin polarization follows the motion of the domain wall. It is distributed asymmetrically around the DW over a distance which can be much larger than the DW width.

  • 1 authors
·
Nov 2, 2022

Analyzing Data Quality and Decay in Mega-Constellations: A Physics-Informed Machine Learning Approach

In the era of mega-constellations, the need for accurate and publicly available information has become fundamental for satellite operators to guarantee the safety of spacecrafts and the Low Earth Orbit (LEO) space environment. This study critically evaluates the accuracy and reliability of publicly available ephemeris data for a LEO mega-constellation - Starlink. The goal of this work is twofold: (i) compare and analyze the quality of the data against high-precision numerical propagation. (ii) Leverage Physics-Informed Machine Learning to extract relevant satellite quantities, such as non-conservative forces, during the decay process. By analyzing two months of real orbital data for approximately 1500 Starlink satellites, we identify discrepancies between high precision numerical algorithms and the published ephemerides, recognizing the use of simplified dynamics at fixed thresholds, planned maneuvers, and limitations in uncertainty propagations. Furthermore, we compare data obtained from multiple sources to track and analyze deorbiting satellites over the same period. Empirically, we extract the acceleration profile of satellites during deorbiting and provide insights relating to the effects of non-conservative forces during reentry. For non-deorbiting satellites, the position Root Mean Square Error (RMSE) was approximately 300 m, while for deorbiting satellites it increased to about 600 m. Through this in-depth analysis, we highlight potential limitations in publicly available data for accurate and robust Space Situational Awareness (SSA), and importantly, we propose a data-driven model of satellite decay in mega-constellations.

  • 3 authors
·
Oct 13

Limits and Powers of Koopman Learning

Dynamical systems provide a comprehensive way to study complex and changing behaviors across various sciences. Many modern systems are too complicated to analyze directly or we do not have access to models, driving significant interest in learning methods. Koopman operators have emerged as a dominant approach because they allow the study of nonlinear dynamics using linear techniques by solving an infinite-dimensional spectral problem. However, current algorithms face challenges such as lack of convergence, hindering practical progress. This paper addresses a fundamental open question: When can we robustly learn the spectral properties of Koopman operators from trajectory data of dynamical systems, and when can we not? Understanding these boundaries is crucial for analysis, applications, and designing algorithms. We establish a foundational approach that combines computational analysis and ergodic theory, revealing the first fundamental barriers -- universal for any algorithm -- associated with system geometry and complexity, regardless of data quality and quantity. For instance, we demonstrate well-behaved smooth dynamical systems on tori where non-trivial eigenfunctions of the Koopman operator cannot be determined by any sequence of (even randomized) algorithms, even with unlimited training data. Additionally, we identify when learning is possible and introduce optimal algorithms with verification that overcome issues in standard methods. These results pave the way for a sharp classification theory of data-driven dynamical systems based on how many limits are needed to solve a problem. These limits characterize all previous methods, presenting a unified view. Our framework systematically determines when and how Koopman spectral properties can be learned.

  • 3 authors
·
Jul 8, 2024

Physics-informed Reduced Order Modeling of Time-dependent PDEs via Differentiable Solvers

Reduced-order modeling (ROM) of time-dependent and parameterized differential equations aims to accelerate the simulation of complex high-dimensional systems by learning a compact latent manifold representation that captures the characteristics of the solution fields and their time-dependent dynamics. Although high-fidelity numerical solvers generate the training datasets, they have thus far been excluded from the training process, causing the learned latent dynamics to drift away from the discretized governing physics. This mismatch often limits generalization and forecasting capabilities. In this work, we propose Physics-informed ROM (Φ-ROM) by incorporating differentiable PDE solvers into the training procedure. Specifically, the latent space dynamics and its dependence on PDE parameters are shaped directly by the governing physics encoded in the solver, ensuring a strong correspondence between the full and reduced systems. Our model outperforms state-of-the-art data-driven ROMs and other physics-informed strategies by accurately generalizing to new dynamics arising from unseen parameters, enabling long-term forecasting beyond the training horizon, maintaining continuity in both time and space, and reducing the data cost. Furthermore, Φ-ROM learns to recover and forecast the solution fields even when trained or evaluated with sparse and irregular observations of the fields, providing a flexible framework for field reconstruction and data assimilation. We demonstrate the framework's robustness across various PDE solvers and highlight its broad applicability by providing an open-source JAX implementation that is readily extensible to other PDE systems and differentiable solvers, available at https://phi-rom.github.io.

  • 4 authors
·
May 20

The Coupled Tidal Evolution of the Moons and Spins of Warm Exoplanets

Context: The Solar System giant planets harbour a wide variety of moons. Moons around exoplanets are plausibly similarly abundant, even though most of them are likely too small to be easily detectable with modern instruments. Moons are known to affect the long-term dynamics of the spin of their host planets; however, their influence on warm exoplanets (i.e.\ with moderately short periods of about 10 to 200~days), which undergo significant star-planet tidal dissipation, is still unclear. Aims: Here, we study the coupled dynamical evolution of exomoons and the spin dynamics of their host planets, focusing on warm exoplanets. Methods: Analytical criteria give the relevant dynamical regimes at play as a function of the system's parameters. Possible evolution tracks mostly depend on the hierarchy of timescales between the star-planet and the moon-planet tidal dissipations. We illustrate the variety of possible trajectories using self-consistent numerical simulations. Results: We find two principal results: i) Due to star-planet tidal dissipation, a substantial fraction of warm exoplanets naturally evolve through a phase of instability for the moon's orbit (the `Laplace plane' instability). Many warm exoplanets may have lost their moon(s) through this process. ii) Surviving moons slowly migrate inwards due to the moon-planet tidal dissipation until they are disrupted below the Roche limit. During their last migration stage, moons -- even small ones -- eject planets from their tidal spin equilibrium. Conclusions: The loss of moons through the Laplace plane instability may contribute to disfavour the detection of moons around close-in exoplanets. Moreover, moons (even those that have been lost) play a critical role in the final obliquities of warm exoplanets. Hence, the existence of exomoons poses a serious challenge in predicting the present-day obliquities of observed exoplanets.

  • 2 authors
·
Oct 31

CHGNet: Pretrained universal neural network potential for charge-informed atomistic modeling

The simulation of large-scale systems with complex electron interactions remains one of the greatest challenges for the atomistic modeling of materials. Although classical force fields often fail to describe the coupling between electronic states and ionic rearrangements, the more accurate ab-initio molecular dynamics suffers from computational complexity that prevents long-time and large-scale simulations, which are essential to study many technologically relevant phenomena, such as reactions, ion migrations, phase transformations, and degradation. In this work, we present the Crystal Hamiltonian Graph neural Network (CHGNet) as a novel machine-learning interatomic potential (MLIP), using a graph-neural-network-based force field to model a universal potential energy surface. CHGNet is pretrained on the energies, forces, stresses, and magnetic moments from the Materials Project Trajectory Dataset, which consists of over 10 years of density functional theory static and relaxation trajectories of sim 1.5 million inorganic structures. The explicit inclusion of magnetic moments enables CHGNet to learn and accurately represent the orbital occupancy of electrons, enhancing its capability to describe both atomic and electronic degrees of freedom. We demonstrate several applications of CHGNet in solid-state materials, including charge-informed molecular dynamics in Li_xMnO_2, the finite temperature phase diagram for Li_xFePO_4 and Li diffusion in garnet conductors. We critically analyze the significance of including charge information for capturing appropriate chemistry, and we provide new insights into ionic systems with additional electronic degrees of freedom that can not be observed by previous MLIPs.

  • 7 authors
·
Feb 27, 2023

Mechanistic Interpretability of RNNs emulating Hidden Markov Models

Recurrent neural networks (RNNs) provide a powerful approach in neuroscience to infer latent dynamics in neural populations and to generate hypotheses about the neural computations underlying behavior. However, past work has focused on relatively simple, input-driven, and largely deterministic behaviors - little is known about the mechanisms that would allow RNNs to generate the richer, spontaneous, and potentially stochastic behaviors observed in natural settings. Modeling with Hidden Markov Models (HMMs) has revealed a segmentation of natural behaviors into discrete latent states with stochastic transitions between them, a type of dynamics that may appear at odds with the continuous state spaces implemented by RNNs. Here we first show that RNNs can replicate HMM emission statistics and then reverse-engineer the trained networks to uncover the mechanisms they implement. In the absence of inputs, the activity of trained RNNs collapses towards a single fixed point. When driven by stochastic input, trajectories instead exhibit noise-sustained dynamics along closed orbits. Rotation along these orbits modulates the emission probabilities and is governed by transitions between regions of slow, noise-driven dynamics connected by fast, deterministic transitions. The trained RNNs develop highly structured connectivity, with a small set of "kick neurons" initiating transitions between these regions. This mechanism emerges during training as the network shifts into a regime of stochastic resonance, enabling it to perform probabilistic computations. Analyses across multiple HMM architectures - fully connected, cyclic, and linear-chain - reveal that this solution generalizes through the modular reuse of the same dynamical motif, suggesting a compositional principle by which RNNs can emulate complex discrete latent dynamics.

  • 5 authors
·
Oct 29

Towards Cross Domain Generalization of Hamiltonian Representation via Meta Learning

Recent advances in deep learning for physics have focused on discovering shared representations of target systems by incorporating physics priors or inductive biases into neural networks. While effective, these methods are limited to the system domain, where the type of system remains consistent and thus cannot ensure the adaptation to new, or unseen physical systems governed by different laws. For instance, a neural network trained on a mass-spring system cannot guarantee accurate predictions for the behavior of a two-body system or any other system with different physical laws. In this work, we take a significant leap forward by targeting cross domain generalization within the field of Hamiltonian dynamics. We model our system with a graph neural network and employ a meta learning algorithm to enable the model to gain experience over a distribution of tasks and make it adapt to new physics. Our approach aims to learn a unified Hamiltonian representation that is generalizable across multiple system domains, thereby overcoming the limitations of system-specific models. Our results demonstrate that the meta-trained model not only adapts effectively to new systems but also captures a generalized Hamiltonian representation that is consistent across different physical domains. Overall, through the use of meta learning, we offer a framework that achieves cross domain generalization, providing a step towards a unified model for understanding a wide array of dynamical systems via deep learning.

  • 2 authors
·
Dec 2, 2022

Identifying supermassive black hole recoil in elliptical galaxies

We study stellar core growth in simulations of merging massive (M_star>10^{11},M_odot) elliptical galaxies by a supermassive black hole (SMBH) displaced by gravitational wave induced recoil velocity. With controlled, dense sampling of the SMBH recoil velocity, we find the core radius originally formed by SMBH binary scouring can grow by a factor of 2-3 when the recoil velocity exceeds sim50 per cent of the central escape velocity, and the mass deficit grows by up to a factor of sim4. Using Bayesian inference we predict the distribution of stellar core sizes formed through this process to peak at sim1,kpc. An orbital decomposition of stellar particles within the core reveals that radial orbits dominate over tube orbits when the recoil velocity exceeds the velocity dispersion of the core, whereas tube orbits dominate for the lowest recoil kicks. A change in orbital structure is reflected in the anisotropy parameter, with a central tangential bias present only for recoil velocities less than the local stellar velocity dispersion. Emulating current integral field unit observations of the stellar line-of-sight velocity distribution, we uncover a distinct signature in the Gauss-Hermite symmetric deviation coefficient h_4 that uniquely constrains the core size due to binary scouring. This signature is insensitive to the later evolution of the stellar mass distribution due to SMBH recoil. Our results provide a novel method to estimate the SMBH recoil magnitude from observations of local elliptical galaxies, and implies these galaxies primarily experienced recoil velocities less than the stellar velocity dispersion of the core.

  • 11 authors
·
Oct 17, 2024

Autoregressive Transformer Neural Network for Simulating Open Quantum Systems via a Probabilistic Formulation

The theory of open quantum systems lays the foundations for a substantial part of modern research in quantum science and engineering. Rooted in the dimensionality of their extended Hilbert spaces, the high computational complexity of simulating open quantum systems calls for the development of strategies to approximate their dynamics. In this paper, we present an approach for tackling open quantum system dynamics. Using an exact probabilistic formulation of quantum physics based on positive operator-valued measure (POVM), we compactly represent quantum states with autoregressive transformer neural networks; such networks bring significant algorithmic flexibility due to efficient exact sampling and tractable density. We further introduce the concept of String States to partially restore the symmetry of the autoregressive transformer neural network and improve the description of local correlations. Efficient algorithms have been developed to simulate the dynamics of the Liouvillian superoperator using a forward-backward trapezoid method and find the steady state via a variational formulation. Our approach is benchmarked on prototypical one and two-dimensional systems, finding results which closely track the exact solution and achieve higher accuracy than alternative approaches based on using Markov chain Monte Carlo to sample restricted Boltzmann machines. Our work provides general methods for understanding quantum dynamics in various contexts, as well as techniques for solving high-dimensional probabilistic differential equations in classical setups.

  • 4 authors
·
Sep 11, 2020

KETJU -- resolving small-scale supermassive black hole dynamics in GADGET-4

We present the new public version of the KETJU supermassive black hole (SMBH) dynamics module, as implemented into GADGET-4. KETJU adds a small region around each SMBH where the dynamics of the SMBHs and stellar particles are integrated using an algorithmically regularised integrator instead of the leapfrog integrator with gravitational softening used by GADGET-4. This enables modelling SMBHs as point particles even during close interactions with stellar particles or other SMBHs, effectively removing the spatial resolution limitation caused by gravitational softening. KETJU also includes post-Newtonian corrections, which allows following the dynamics of SMBH binaries to sub-parsec scales and down to tens of Schwarzschild radii. Systems with multiple SMBHs are also supported, with the code also including the leading non-linear cross terms that appear in the post-Newtonian equations for such systems. We present tests of the code showing that it correctly captures, at sufficient mass resolution, the sinking driven by dynamical friction and binary hardening driven by stellar scattering. We also present an example application demonstrating how the code can be applied to study the dynamics of SMBHs in mergers of multiple galaxies and the effect they have on the properties of the surrounding galaxy. We expect that the presented KETJU SMBH dynamics module can also be straightforwardly incorporated into other codes similar to GADGET-4, which would allow coupling small-scale SMBH dynamics to the rich variety of galactic physics models that exist in the literature.

  • 8 authors
·
Jun 8, 2023

Ergotropy and Capacity Optimization in Heisenberg Spin Chain Quantum Batteries

This study examines the performance of finite spin quantum batteries (QBs) using Heisenberg spin models with Dzyaloshinsky-Moriya (DM) and Kaplan--Shekhtman--Entin-Wohlman--Aharony (KSEA) interactions. The QBs are modeled as interacting quantum spins in local inhomogeneous magnetic fields, inducing variable Zeeman splitting. We derive analytical expressions for the maximal extractable work, ergotropy and the capacity of QBs, as recently examined by Yang et al. [Phys. Rev. Lett. 131, 030402 (2023)]. These quantities are analytically linked through certain quantum correlations, as posited in the aforementioned study. Different Heisenberg spin chain models exhibit distinct behaviors under varying conditions, emphasizing the importance of model selection for optimizing QB performance. In antiferromagnetic (AFM) systems, maximum ergotropy occurs with a Zeeman splitting field applied to either spin, while ferromagnetic (FM) systems benefit from a uniform Zeeman field. Temperature significantly impacts QB performance, with ergotropy in the AFM case being generally more robust against temperature increases compared to the FM case. Incorporating DM and KSEA couplings can significantly enhance the capacity and ergotropy extraction of QBs. However, there exists a threshold beyond which additional increases in these interactions cause a sharp decline in capacity and ergotropy. This behavior is influenced by temperature and quantum coherence, which signal the occurrence of a sudden phase transition. The resource theory of quantum coherence proposed by Baumgratz et al. [Phys. Rev. Lett. 113, 140401 (2014)] plays a crucial role in enhancing ergotropy and capacity. However, ergotropy is limited by both the system's capacity and the amount of coherence. These findings support the theoretical framework of spin-based QBs and may benefit future research on quantum energy storage devices.

  • 8 authors
·
Jul 31, 2024

Mamba Integrated with Physics Principles Masters Long-term Chaotic System Forecasting

Long-term forecasting of chaotic systems from short-term observations remains a fundamental and underexplored challenge due to the intrinsic sensitivity to initial conditions and the complex geometry of strange attractors. Existing approaches often rely on long-term training data or focus on short-term sequence correlations, struggling to maintain predictive stability and dynamical coherence over extended horizons. We propose PhyxMamba, a novel framework that integrates a Mamba-based state-space model with physics-informed principles to capture the underlying dynamics of chaotic systems. By reconstructing the attractor manifold from brief observations using time-delay embeddings, PhyxMamba extracts global dynamical features essential for accurate forecasting. Our generative training scheme enables Mamba to replicate the physical process, augmented by multi-token prediction and attractor geometry regularization for physical constraints, enhancing prediction accuracy and preserving key statistical invariants. Extensive evaluations on diverse simulated and real-world chaotic systems demonstrate that PhyxMamba delivers superior long-term forecasting and faithfully captures essential dynamical invariants from short-term data. This framework opens new avenues for reliably predicting chaotic systems under observation-scarce conditions, with broad implications across climate science, neuroscience, epidemiology, and beyond. Our code is open-source at https://github.com/tsinghua-fib-lab/PhyxMamba.

  • 5 authors
·
May 29

RABBITS -- II. The impact of AGN feedback on coalescing supermassive black holes in disc and elliptical galaxy mergers

In this study of the `Resolving supermAssive Black hole Binaries In galacTic hydrodynamical Simulations' (RABBITS) series, we investigate the orbital evolution of supermassive black holes (SMBHs) during galaxy mergers. We simulate both disc and elliptical galaxy mergers using the KETJU code, which can simultaneously follow galaxy (hydro-)dynamics and small-scale SMBH dynamics with post-Newtonian corrections. With our SMBH binary subgrid model, we show how active galactic nuclei (AGNs) feedback affects galaxy properties and SMBH coalescence. We find that simulations without AGN feedback exhibit excessive star formation, resulting in merger remnants that deviate from observed properties. Kinetic AGN feedback proves more effective than thermal AGN feedback in expelling gas from the centre and quenching star formation. The different central galaxy properties, which are a result of distinct AGN feedback models, lead to varying rates of SMBH orbital decay. In the dynamical friction phase, galaxies with higher star formation and higher SMBH masses possess denser centres, become more resistant to tidal stripping, experience greater dynamical friction, and consequently form SMBH binaries earlier. As AGN feedback reduces gas densities in the centres, dynamical friction by stars dominates over gas. In the SMBH hardening phase, compared to elliptical mergers, disc mergers exhibit higher central densities of newly formed stars, resulting in accelerated SMBH hardening and shorter merger time-scales (i.e. lesssim 500 Myr versus gtrsim 1 Gyr). Our findings highlight the importance of AGN feedback and its numerical implementation in understanding the SMBH coalescing process, a key focus for low-frequency gravitational wave observatories.

  • 8 authors
·
Nov 2, 2023

Impulsive mixing of stellar populations in dwarf spheroidal galaxies

We study the response of mono-energetic stellar populations with initially isotropic kinematics to impulsive and adiabatic changes to an underlying dark matter potential. Half-light radii expand and velocity dispersions decrease as enclosed dark matter is removed. The details of this expansion and cooling depend on the time scale on which the underlying potential changes. In the adiabatic regime, the product of half-light radius and average velocity dispersion is conserved. We show that the stellar populations maintain centrally isotropic kinematics throughout their adiabatic evolution, and their densities can be approximated by a family of analytical radial profiles. Metallicity gradients within the galaxy flatten as dark matter is slowly removed. In the case of strong impulsive perturbations, stellar populations develop power-law-like density tails with radially biased kinematics. We show that the distribution of stellar binding energies within the dark matter halo substantially widens after an impulsive perturbation, no matter the sign of the perturbation. This allows initially energetically separated stellar populations to mix, to the extent that previously chemo-dynamically distinct populations may masquerade as a single population with large metallicity and energy spread. Finally, we show that in response to an impulsive perturbation, stellar populations that are deeply embedded in cored dark matter halos undergo a series of damped oscillations before reaching a virialised equilibrium state, driven by inefficient phase mixing in the harmonic potentials of cored halos. This slow return to equilibrium adds substantial systematic uncertainty to dynamical masses estimated from Jeans modeling or the virial theorem.

  • 5 authors
·
Feb 26

Dynamical evolution of massless particles in star clusters with NBODY6++GPU-MASSLESS: I. Free-floating MLPs

Context. Low-mass bodies, such as comets, asteroids, planetesimals, and free-floating planets, are continuously injected into the intra-cluster environment after expulsion from their host planetary systems. These can be modeled as massless particles (MLPs, hereafter). The dynamics of large populations of MLPs, however, has yet received little attention in literature. Aims. We investigate the dynamical evolution of MLP populations in star clusters, and characterize their kinematics and ejection rates. Methods. We present NBODY6++GPU-MASSLESS, a modified version of the N-body simulation code NBODY6++GPU, that allows fast integration of star clusters that contain large numbers of massless particles (MLPs). NBODY6++GPU-MASSLESS contains routines specifically directed at the dynamical evolution of low-mass bodies, such as planets. Results. Unlike stars, MLPs do not participate in the mass segregation process. Instead, MLPs mostly follow the gravitational potential of the star cluster, which gradually decreases over time due to stellar ejections and stellar evolution. The dynamical evolution of MLPs is primarily affected by the evolution of the core of the star cluster. This is most apparent in the outer regions for clusters with higher initial densities. High escape rates of MLPs are observed before the core-collapse, after which escape rates remain stable. Denser star clusters undergo a more intense core collapse, but this does not impact the dynamical evolution of MLPs. The speeds of escaping stars are similar to those of escaping MLPs, when disregarding the high-velocity ejections of neutron stars during the first 50 Myr.

  • 5 authors
·
Dec 11, 2024

Respecting causality is all you need for training physics-informed neural networks

While the popularity of physics-informed neural networks (PINNs) is steadily rising, to this date PINNs have not been successful in simulating dynamical systems whose solution exhibits multi-scale, chaotic or turbulent behavior. In this work we attribute this shortcoming to the inability of existing PINNs formulations to respect the spatio-temporal causal structure that is inherent to the evolution of physical systems. We argue that this is a fundamental limitation and a key source of error that can ultimately steer PINN models to converge towards erroneous solutions. We address this pathology by proposing a simple re-formulation of PINNs loss functions that can explicitly account for physical causality during model training. We demonstrate that this simple modification alone is enough to introduce significant accuracy improvements, as well as a practical quantitative mechanism for assessing the convergence of a PINNs model. We provide state-of-the-art numerical results across a series of benchmarks for which existing PINNs formulations fail, including the chaotic Lorenz system, the Kuramoto-Sivashinsky equation in the chaotic regime, and the Navier-Stokes equations in the turbulent regime. To the best of our knowledge, this is the first time that PINNs have been successful in simulating such systems, introducing new opportunities for their applicability to problems of industrial complexity.

  • 3 authors
·
Mar 14, 2022

Deep Learning solutions to singular ordinary differential equations: from special functions to spherical accretion

Singular regular points often arise in differential equations describing physical phenomena such as fluid dynamics, electromagnetism, and gravitation. Traditional numerical techniques often fail or become unstable near these points, requiring the use of semi-analytical tools, such as series expansions and perturbative methods, in combination with numerical algorithms; or to invoke more sophisticated methods. In this work, we take an alternative route and leverage the power of machine learning to exploit Physics Informed Neural Networks (PINNs) as a modern approach to solving ordinary differential equations with singular points. PINNs utilize deep learning architectures to approximate solutions by embedding the differential equations into the loss function of the neural network. We discuss the advantages of PINNs in handling singularities, particularly their ability to bypass traditional grid-based methods and provide smooth approximations across irregular regions. Techniques for enhancing the accuracy of PINNs near singular points, such as adaptive loss weighting, are used in order to achieve high efficiency in the training of the network. We exemplify our results by studying four differential equations of interest in mathematics and gravitation -- the Legendre equation, the hypergeometric equation, the solution for black hole space-times in theories of Lorentz violating gravity, and the spherical accretion of a perfect fluid in a Schwarzschild geometry.

  • 3 authors
·
Sep 30, 2024

On the Dynamics of Acceleration in First order Gradient Methods

Ever since the original algorithm by Nesterov (1983), the true nature of the acceleration phenomenon has remained elusive, with various interpretations of why the method is actually faster. The diagnosis of the algorithm through the lens of Ordinary Differential Equations (ODEs) and the corresponding dynamical system formulation to explain the underlying dynamics has a rich history. In the literature, the ODEs that explain algorithms are typically derived by considering the limiting case of the algorithm maps themselves, that is, an ODE formulation follows the development of an algorithm. This obfuscates the underlying higher order principles and thus provides little evidence of the working of the algorithm. Such has been the case with Nesterov algorithm and the various analogies used to describe the acceleration phenomena, viz, momentum associated with the rolling of a Heavy-Ball down a slope, Hessian damping etc. The main focus of our work is to ideate the genesis of the Nesterov algorithm from the viewpoint of dynamical systems leading to demystifying the mathematical rigour behind the algorithm. Instead of reverse engineering ODEs from discrete algorithms, this work explores tools from the recently developed control paradigm titled Passivity and Immersion approach and the Geometric Singular Perturbation theory which are applied to arrive at the formulation of a dynamical system that explains and models the acceleration phenomena. This perspective helps to gain insights into the various terms present and the sequence of steps used in Nesterovs accelerated algorithm for the smooth strongly convex and the convex case. The framework can also be extended to derive the acceleration achieved using the triple momentum method and provides justifications for the non-convergence to the optimal solution in the Heavy-Ball method.

  • 5 authors
·
Sep 22

Simulating 2+1D Lattice Quantum Electrodynamics at Finite Density with Neural Flow Wavefunctions

We present a neural flow wavefunction, Gauge-Fermion FlowNet, and use it to simulate 2+1D lattice compact quantum electrodynamics with finite density dynamical fermions. The gauge field is represented by a neural network which parameterizes a discretized flow-based transformation of the amplitude while the fermionic sign structure is represented by a neural net backflow. This approach directly represents the U(1) degree of freedom without any truncation, obeys Guass's law by construction, samples autoregressively avoiding any equilibration time, and variationally simulates Gauge-Fermion systems with sign problems accurately. In this model, we investigate confinement and string breaking phenomena in different fermion density and hopping regimes. We study the phase transition from the charge crystal phase to the vacuum phase at zero density, and observe the phase seperation and the net charge penetration blocking effect under magnetic interaction at finite density. In addition, we investigate a magnetic phase transition due to the competition effect between the kinetic energy of fermions and the magnetic energy of the gauge field. With our method, we further note potential differences on the order of the phase transitions between a continuous U(1) system and one with finite truncation. Our state-of-the-art neural network approach opens up new possibilities to study different gauge theories coupled to dynamical matter in higher dimensions.

  • 4 authors
·
Dec 14, 2022

Origin of Phobos and Deimos : Orbital evolution shortly after formation from a potential dislocation

This paper deals with the formation and evolution of Mars' moons, Phobos and Deimos, assuming the dislocation of a larger progenitor as the origin of these moons. The study by Hyodo et al. (2022) argue that under somewhat simplistic modeling, the post-dislocation orbits of Phobos and Deimos inevitably collide within 10,000 years, leading to their mutual annihilation. These findings are based on N-body simulations, accounting for Mars' J_2 and J_4 gravitational perturbations and mutual perturbations between the moons. In this paper, we challenge these findings by extending their work. We incorporate important perturbations such as solar perturbations, Mars' axial precession and nutation, and its deformation along three axes. We also extend some of the hypotheses made by Hyodo et al. (2022) concerning the initial distribution of Phobos and Deimos after the dislocation. Our analysis reveals that including these additional perturbations as well as the possibility of having more than two fragments after the dislocation does not alter the ultimate fate of Phobos and Deimos. The moons still converge towards collision within comparable timescales, supporting Hyodo et al. (2022) conclusions that the dislocation hypothesis under the dynamical scenario developed by Bagheri et al. (2021) has, in the best conditions, about 10\% chance of surviving after the first 100,000 years following their formation.

  • 3 authors
·
Apr 11

Geometric Trajectory Diffusion Models

Generative models have shown great promise in generating 3D geometric systems, which is a fundamental problem in many natural science domains such as molecule and protein design. However, existing approaches only operate on static structures, neglecting the fact that physical systems are always dynamic in nature. In this work, we propose geometric trajectory diffusion models (GeoTDM), the first diffusion model for modeling the temporal distribution of 3D geometric trajectories. Modeling such distribution is challenging as it requires capturing both the complex spatial interactions with physical symmetries and temporal correspondence encapsulated in the dynamics. We theoretically justify that diffusion models with equivariant temporal kernels can lead to density with desired symmetry, and develop a novel transition kernel leveraging SE(3)-equivariant spatial convolution and temporal attention. Furthermore, to induce an expressive trajectory distribution for conditional generation, we introduce a generalized learnable geometric prior into the forward diffusion process to enhance temporal conditioning. We conduct extensive experiments on both unconditional and conditional generation in various scenarios, including physical simulation, molecular dynamics, and pedestrian motion. Empirical results on a wide suite of metrics demonstrate that GeoTDM can generate realistic geometric trajectories with significantly higher quality.

  • 5 authors
·
Oct 16, 2024

Imitation Learning via Differentiable Physics

Existing imitation learning (IL) methods such as inverse reinforcement learning (IRL) usually have a double-loop training process, alternating between learning a reward function and a policy and tend to suffer long training time and high variance. In this work, we identify the benefits of differentiable physics simulators and propose a new IL method, i.e., Imitation Learning via Differentiable Physics (ILD), which gets rid of the double-loop design and achieves significant improvements in final performance, convergence speed, and stability. The proposed ILD incorporates the differentiable physics simulator as a physics prior into its computational graph for policy learning. It unrolls the dynamics by sampling actions from a parameterized policy, simply minimizing the distance between the expert trajectory and the agent trajectory, and back-propagating the gradient into the policy via temporal physics operators. With the physics prior, ILD policies can not only be transferable to unseen environment specifications but also yield higher final performance on a variety of tasks. In addition, ILD naturally forms a single-loop structure, which significantly improves the stability and training speed. To simplify the complex optimization landscape induced by temporal physics operations, ILD dynamically selects the learning objectives for each state during optimization. In our experiments, we show that ILD outperforms state-of-the-art methods in a variety of continuous control tasks with Brax, requiring only one expert demonstration. In addition, ILD can be applied to challenging deformable object manipulation tasks and can be generalized to unseen configurations.

  • 3 authors
·
Jun 10, 2022

Chaos as an interpretable benchmark for forecasting and data-driven modelling

The striking fractal geometry of strange attractors underscores the generative nature of chaos: like probability distributions, chaotic systems can be repeatedly measured to produce arbitrarily-detailed information about the underlying attractor. Chaotic systems thus pose a unique challenge to modern statistical learning techniques, while retaining quantifiable mathematical properties that make them controllable and interpretable as benchmarks. Here, we present a growing database currently comprising 131 known chaotic dynamical systems spanning fields such as astrophysics, climatology, and biochemistry. Each system is paired with precomputed multivariate and univariate time series. Our dataset has comparable scale to existing static time series databases; however, our systems can be re-integrated to produce additional datasets of arbitrary length and granularity. Our dataset is annotated with known mathematical properties of each system, and we perform feature analysis to broadly categorize the diverse dynamics present across the collection. Chaotic systems inherently challenge forecasting models, and across extensive benchmarks we correlate forecasting performance with the degree of chaos present. We also exploit the unique generative properties of our dataset in several proof-of-concept experiments: surrogate transfer learning to improve time series classification, importance sampling to accelerate model training, and benchmarking symbolic regression algorithms.

  • 1 authors
·
Oct 11, 2021

The S2 orbit and tidally disrupted binaries: indications for collisional depletion in the Galactic center

The properties of the stellar cluster surrounding Sagittarius A* can be assessed indirectly through the motion of the S-stars. Specifically, the current accuracy to which the prograde precession of the S2 star is measured allows to place significant constraints on the extended mass enclosed by its orbit. We suggest that high velocity destructive collisions (DCs) offer a natural mechanism for depleting the mass inside the S2 orbit, thus allowing to reconcile the measured precession and the existence of a dense stellar cluster. Such a solution is especially necessary when considering that stars are supplied to the inner part of the cluster by both dynamical relaxation and by stars being captured in tight orbits during tidal disruption of binaries. We use analytic arguments and results from simulations to demonstrate that in order to obtain a precession that is consistent with observations, collisional depletion is necessary if the capture rate is greater than a few 10^{-6} yr^{-1}. We also show that fluctuations arising from the finite number of stars cannot serve as an alternative to DCs for generating consistency with the observed S2 precession. We conclude that astrometric observations of the S-stars provide a meaningful indication that the inner part of our galactic center is shaped by collisional depletion, supporting the hypothesis that DCs occur in galactic nuclei at an astrophysically significant rate.

  • 2 authors
·
Dec 10, 2024

RABBITS -- I. The crucial role of nuclear star formation in driving the coalescence of supermassive black hole binaries

In this study of the `Resolving supermAssive Black hole Binaries In galacTic hydrodynamical Simulations' (RABBITS) series, we focus on the hardening and coalescing process of supermassive black hole (SMBH) binaries in galaxy mergers. For simulations including different galaxy formation processes (i.e. gas cooling, star formation, SMBH accretion, stellar and AGN feedback), we systematically control the effect of stochastic eccentricity by fixing it to similar values during the SMBH hardening phase. We find a strong correlation between the SMBH merger time-scales and the presence of nuclear star formation. Throughout the galaxy merging process, gas condenses at the centre due to cooling and tidal torques, leading to nuclear star formation. These recently formed stars, which inherit low angular momenta from the gas, contribute to the loss cone and assist in the SMBH hardening via three-body interactions. Compared to non-radiative hydrodynamical runs, the SMBH merger time-scales measured from the runs including cooling, stellar and SMBH physical processes tend to be shortened by a factor of {sim}1.7. After fixing the eccentricity to the range of e sim 0.6--0.8 during the hardening phase, the simulations with AGN feedback reveal merger time-scales of {sim} 100--500 Myr for disc mergers and {sim} 1--2 Gyr for elliptical mergers. With a semi-analytical approach, we find that the torque interaction between the binary and its circumbinary disc has minimal impact on the shrinking of the binary orbit in our retrograde galaxy merger. Our results are useful in improving the modelling of SMBH merger time-scales and gravitational wave event rates.

  • 8 authors
·
Nov 2, 2023

Almost-Linear RNNs Yield Highly Interpretable Symbolic Codes in Dynamical Systems Reconstruction

Dynamical systems (DS) theory is fundamental for many areas of science and engineering. It can provide deep insights into the behavior of systems evolving in time, as typically described by differential or recursive equations. A common approach to facilitate mathematical tractability and interpretability of DS models involves decomposing nonlinear DS into multiple linear DS separated by switching manifolds, i.e. piecewise linear (PWL) systems. PWL models are popular in engineering and a frequent choice in mathematics for analyzing the topological properties of DS. However, hand-crafting such models is tedious and only possible for very low-dimensional scenarios, while inferring them from data usually gives rise to unnecessarily complex representations with very many linear subregions. Here we introduce Almost-Linear Recurrent Neural Networks (AL-RNNs) which automatically and robustly produce most parsimonious PWL representations of DS from time series data, using as few PWL nonlinearities as possible. AL-RNNs can be efficiently trained with any SOTA algorithm for dynamical systems reconstruction (DSR), and naturally give rise to a symbolic encoding of the underlying DS that provably preserves important topological properties. We show that for the Lorenz and R\"ossler systems, AL-RNNs discover, in a purely data-driven way, the known topologically minimal PWL representations of the corresponding chaotic attractors. We further illustrate on two challenging empirical datasets that interpretable symbolic encodings of the dynamics can be achieved, tremendously facilitating mathematical and computational analysis of the underlying systems.

  • 4 authors
·
Oct 18, 2024

A mechanism to generate varying speed of light via Higgs-dilaton coupling: Theory and cosmological applications

We allow the Higgs field Phi to interact with a dilaton field chi of the background spacetime via the coupling chi^2,Phi^daggerPhi. Upon spontaneous gauge symmetry breaking, the Higgs VEV becomes proportional to chi. While traditionally this linkage is employed to make the Planck mass and particle masses dependent on chi, we present an textit alternative mechanism: the Higgs VEV will be used to construct Planck's constant hbar and speed of light c. Specifically, each open set vicinity of a given point x^* on the spacetime manifold is equipped with a replica of the Glashow-Weinberg-Salam action operating with its own effective values of hbar_* and c_* per hbar_*proptochi^{-1/2}(x^*) and c_*proptochi^{1/2}(x^*), causing these ``fundamental constants'' to vary alongside the dynamical field chi. Moreover, in each open set around x^*, the prevailing value chi(x^*) determines the length and time scales for physical processes occurring in this region as lproptochi^{-1}(x^*) and tauproptochi^{-3/2}(x^*). This leads to an textit anisotropic relation tau^{-1}propto l^{-3/2} between the rate of clocks and the length of rods, resulting in a distinct set of novel physical phenomena. For late-time cosmology, the variation of c along the trajectory of light waves from distant supernovae towards the Earth-based observer necessitates modifications to the Lema\^itre redshift relation and the Hubble law. These modifications are capable of: (1) Accounting for the Pantheon Catalog of SNeIa through a declining speed of light in an expanding Einstein--de Sitter universe, thus avoiding the need for dark energy; (2) Revitalizing Blanchard-Douspis-Rowan-Robinson-Sarkar's CMB power spectrum analysis that bypassed dark energy [A&A 412, 35 (2003)]; and (3) Resolving the H_0 tension without requiring a dynamical dark energy component.

  • 1 authors
·
Aug 5, 2024

A Low-complexity Structured Neural Network to Realize States of Dynamical Systems

Data-driven learning is rapidly evolving and places a new perspective on realizing state-space dynamical systems. However, dynamical systems derived from nonlinear ordinary differential equations (ODEs) suffer from limitations in computational efficiency. Thus, this paper stems from data-driven learning to advance states of dynamical systems utilizing a structured neural network (StNN). The proposed learning technique also seeks to identify an optimal, low-complexity operator to solve dynamical systems, the so-called Hankel operator, derived from time-delay measurements. Thus, we utilize the StNN based on the Hankel operator to solve dynamical systems as an alternative to existing data-driven techniques. We show that the proposed StNN reduces the number of parameters and computational complexity compared with the conventional neural networks and also with the classical data-driven techniques, such as Sparse Identification of Nonlinear Dynamics (SINDy) and Hankel Alternative view of Koopman (HAVOK), which is commonly known as delay-Dynamic Mode Decomposition(DMD) or Hankel-DMD. More specifically, we present numerical simulations to solve dynamical systems utilizing the StNN based on the Hankel operator beginning from the fundamental Lotka-Volterra model, where we compare the StNN with the LEarning Across Dynamical Systems (LEADS), and extend our analysis to highly nonlinear and chaotic Lorenz systems, comparing the StNN with conventional neural networks, SINDy, and HAVOK. Hence, we show that the proposed StNN paves the way for realizing state-space dynamical systems with a low-complexity learning algorithm, enabling prediction and understanding of future states.

  • 4 authors
·
Mar 30

High-order finite element method for atomic structure calculations

We introduce featom, an open source code that implements a high-order finite element solver for the radial Schr\"odinger, Dirac, and Kohn-Sham equations. The formulation accommodates various mesh types, such as uniform or exponential, and the convergence can be systematically controlled by increasing the number and/or polynomial order of the finite element basis functions. The Dirac equation is solved using a squared Hamiltonian approach to eliminate spurious states. To address the slow convergence of the kappa=pm1 states due to divergent derivatives at the origin, we incorporate known asymptotic forms into the solutions. We achieve a high level of accuracy (10^{-8} Hartree) for total energies and eigenvalues of heavy atoms such as uranium in both Schr\"odinger and Dirac Kohn-Sham solutions. We provide detailed convergence studies and computational parameters required to attain commonly required accuracies. Finally, we compare our results with known analytic results as well as the results of other methods. In particular, we calculate benchmark results for atomic numbers (Z) from 1 to 92, verifying current benchmarks. We demonstrate significant speedup compared to the state-of-the-art shooting solver dftatom. An efficient, modular Fortran 2008 implementation, is provided under an open source, permissive license, including examples and tests, wherein particular emphasis is placed on the independence (no global variables), reusability, and generality of the individual routines.

  • 8 authors
·
Jul 11, 2023

A Comprehensive Perturbative Formalism for Phase Mixing in Perturbed Disks. II. Phase Spirals in an Inhomogeneous Disk Galaxy with a Non-responsive Dark Matter Halo

We develop a linear perturbative formalism to compute the response of an inhomogeneous stellar disk embedded in a non-responsive dark matter halo to perturbations like bars, spiral arms and satellite galaxy encounters. Without self-gravity to reinforce it, the response of a Fourier mode phase mixes away due to an intrinsic spread in the vertical (Omega_z), radial (Omega_r) and azimuthal (Omega_phi) frequencies, giving rise to local phase-space spirals. Collisional diffusion due to scattering of stars by structures like giant molecular clouds causes super-exponential damping of the phase-spiral amplitude. The z-v_z phase-spiral is 1-armed (2-armed) for vertically anti-symmetric (symmetric) bending (breathing) modes. Only transient perturbations with timescales (tau_{P}) comparable to the vertical oscillation period (tau_z sim 1/Omega_z) trigger z-v_z phase-spirals. Each (n,l,m) mode of the response to impulsive (tau_{P}<tau=1/(nOmega_z+lOmega_r+mOmega_phi)) perturbations is power law (sim tau_{P}/tau) suppressed, but that to adiabatic (tau_{P}>tau) perturbations is exponentially weak (sim left[-left(tau_{mathrm{P}/tauright)^alpharight]}) except resonant (tauto infty) modes. Slower (tau_{P}>tau_z) perturbations, e.g., distant encounters with satellite galaxies, induce stronger bending modes. If the Gaia phase-spiral was triggered by a satellite, Sagittarius is the leading contender as it dominates the Solar neighborhood response of the Milky Way disk to satellite encounters. However, survival against collisional damping necessitates that the impact occurred within sim 0.6-0.7 Gyr ago. We discuss how the detailed galactic potential dictates the phase-spiral shape: phase mixing occurs slower and phase-spirals are less wound in the outer disk and in presence of an ambient halo.

  • 3 authors
·
Feb 28, 2023

A noncommutative Bianchi I model with radiation

In the present work, we study the dynamical evolution of an homogeneous and anisotropic, noncommutative (NC) Bianchi I (BI) model coupled to a radiation perfect fluid. Our first motivation is determining if the present model tends to an homogeneous and isotropic NC Friedmann-Robertson-Walker (FRW) model, during its evolution. In order to simplify our task, we use the Misner parametrization of the BI metric. In terms of that parametrization the BI metric has three metric functions: the scale factor a(t) and the two parameters beta_pm (t), which measure the spatial anisotropy of the model. Our second motivation is trying to describe the present accelerated expansion of the universe using noncommutativity (NCTY). The NCTY is introduced by two nontrivial Poisson brackets between some geometrical as well as matter variables of the model. We recover the description in terms of commutative variables by introducing some variables transformations that depend on the NC parameter. Using those variables transformations, we rewrite the total NC Hamiltonian of the model in terms of commutative variables. From the resulting Hamiltonian, we obtain the dynamical equations for a generic perfect fluid. In order to solve these equations, we restrict our attention to a model where the perfect fluid is radiation. We solve, numerically, these equations and compare the NC solutions to the corresponding commutative ones. The comparison shows that the NC model may be considered as a possible candidate for describing the accelerated expansion of the universe. Finally, we obtain estimates for the NC parameter and compare the main results of the NC BI model coupled to radiation with the same NC BI model coupled to other perfect fluids. As our main result, we show that the solutions, after some time, produce an isotropic universe.

  • 2 authors
·
Mar 5, 2024

A PINN Approach to Symbolic Differential Operator Discovery with Sparse Data

Given ample experimental data from a system governed by differential equations, it is possible to use deep learning techniques to construct the underlying differential operators. In this work we perform symbolic discovery of differential operators in a situation where there is sparse experimental data. This small data regime in machine learning can be made tractable by providing our algorithms with prior information about the underlying dynamics. Physics Informed Neural Networks (PINNs) have been very successful in this regime (reconstructing entire ODE solutions using only a single point or entire PDE solutions with very few measurements of the initial condition). We modify the PINN approach by adding a neural network that learns a representation of unknown hidden terms in the differential equation. The algorithm yields both a surrogate solution to the differential equation and a black-box representation of the hidden terms. These hidden term neural networks can then be converted into symbolic equations using symbolic regression techniques like AI Feynman. In order to achieve convergence of these neural networks, we provide our algorithms with (noisy) measurements of both the initial condition as well as (synthetic) experimental data obtained at later times. We demonstrate strong performance of this approach even when provided with very few measurements of noisy data in both the ODE and PDE regime.

  • 3 authors
·
Dec 8, 2022

Mapping gravitational-wave backgrounds in modified theories of gravity using pulsar timing arrays

We extend our previous work on applying CMB techniques to the mapping of gravitational-wave backgrounds to backgrounds which have non-GR polarisations. Our analysis and results are presented in the context of pulsar-timing array observations, but the overarching methods are general, and can be easily applied to LIGO or eLISA observations using appropriately modified response functions. Analytic expressions for the pulsar-timing response to gravitational waves with non-GR polarisation are given for each mode of a spin-weighted spherical-harmonic decomposition of the background, which permit the signal to be mapped across the sky to any desired resolution. We also derive the pulsar-timing overlap reduction functions for the various non-GR polarisations, finding analytic forms for anisotropic backgrounds with scalar-transverse ("breathing") and vector-longitudinal polarisations, and a semi-analytic form for scalar-longitudinal backgrounds. Our results indicate that pulsar-timing observations will be completely insensitive to scalar-transverse mode anisotropies in the polarisation amplitude beyond dipole, and anisotropies in the power beyond quadrupole. Analogously to our previous findings that pulsar-timing observations lack sensitivity to tensor-curl modes for a transverse-traceless tensor background, we also find insensitivity to vector-curl modes for a vector-longitudinal background.

  • 3 authors
·
Jun 29, 2015

How to Train Your HiPPO: State Space Models with Generalized Orthogonal Basis Projections

Linear time-invariant state space models (SSM) are a classical model from engineering and statistics, that have recently been shown to be very promising in machine learning through the Structured State Space sequence model (S4). A core component of S4 involves initializing the SSM state matrix to a particular matrix called a HiPPO matrix, which was empirically important for S4's ability to handle long sequences. However, the specific matrix that S4 uses was actually derived in previous work for a particular time-varying dynamical system, and the use of this matrix as a time-invariant SSM had no known mathematical interpretation. Consequently, the theoretical mechanism by which S4 models long-range dependencies actually remains unexplained. We derive a more general and intuitive formulation of the HiPPO framework, which provides a simple mathematical interpretation of S4 as a decomposition onto exponentially-warped Legendre polynomials, explaining its ability to capture long dependencies. Our generalization introduces a theoretically rich class of SSMs that also lets us derive more intuitive S4 variants for other bases such as the Fourier basis, and explains other aspects of training S4, such as how to initialize the important timescale parameter. These insights improve S4's performance to 86% on the Long Range Arena benchmark, with 96% on the most difficult Path-X task.

  • 5 authors
·
Jun 23, 2022

Stability of Superconducting Strings

We investigate the stability of superconducting strings as bound states of strings and fermion zero modes at both the classical and quantum levels. The dynamics of these superconducting strings can result in a stable configuration, known as a vorton. We mainly focus on global strings, but the majority of the discussion can be applied to local strings. Using lattice simulations, we study the classical dynamics of superconducting strings and confirm that they relax to the vorton configuration through Nambu-Goldstone boson radiation, with no evidence of over-shooting that would destabilize the vorton. We explore the tunneling of fermion zero modes out of the strings. Both our classical analysis and quantum calculations yield consistent results: the maximum energy of the zero mode significantly exceeds the fermion mass, in contrast to previous literature. Additionally, we introduce a world-sheet formalism to evaluate the decay rate of zero modes into other particles, which constitute the dominant decay channel. We also identify additional processes that trigger zero-mode decay due to non-adiabatic changes of the string configuration. In these decay processes, the rates are suppressed by the curvature of string loops, with exponential suppression for large masses of the final states. We further study the scattering with light charged particles surrounding the string core produced by the zero-mode current and find that a wide zero-mode wavefunction can enhance vorton stability.

  • 4 authors
·
Dec 16, 2024

Force-Free Molecular Dynamics Through Autoregressive Equivariant Networks

Molecular dynamics (MD) simulations play a crucial role in scientific research. Yet their computational cost often limits the timescales and system sizes that can be explored. Most data-driven efforts have been focused on reducing the computational cost of accurate interatomic forces required for solving the equations of motion. Despite their success, however, these machine learning interatomic potentials (MLIPs) are still bound to small time-steps. In this work, we introduce TrajCast, a transferable and data-efficient framework based on autoregressive equivariant message passing networks that directly updates atomic positions and velocities lifting the constraints imposed by traditional numerical integration. We benchmark our framework across various systems, including a small molecule, crystalline material, and bulk liquid, demonstrating excellent agreement with reference MD simulations for structural, dynamical, and energetic properties. Depending on the system, TrajCast allows for forecast intervals up to 30times larger than traditional MD time-steps, generating over 15 ns of trajectory data per day for a solid with more than 4,000 atoms. By enabling efficient large-scale simulations over extended timescales, TrajCast can accelerate materials discovery and explore physical phenomena beyond the reach of traditional simulations and experiments. An open-source implementation of TrajCast is accessible under https://github.com/IBM/trajcast.

  • 6 authors
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Mar 31