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Nov 3

Understanding and Improving Transformer From a Multi-Particle Dynamic System Point of View

The Transformer architecture is widely used in natural language processing. Despite its success, the design principle of the Transformer remains elusive. In this paper, we provide a novel perspective towards understanding the architecture: we show that the Transformer can be mathematically interpreted as a numerical Ordinary Differential Equation (ODE) solver for a convection-diffusion equation in a multi-particle dynamic system. In particular, how words in a sentence are abstracted into contexts by passing through the layers of the Transformer can be interpreted as approximating multiple particles' movement in the space using the Lie-Trotter splitting scheme and the Euler's method. Given this ODE's perspective, the rich literature of numerical analysis can be brought to guide us in designing effective structures beyond the Transformer. As an example, we propose to replace the Lie-Trotter splitting scheme by the Strang-Marchuk splitting scheme, a scheme that is more commonly used and with much lower local truncation errors. The Strang-Marchuk splitting scheme suggests that the self-attention and position-wise feed-forward network (FFN) sub-layers should not be treated equally. Instead, in each layer, two position-wise FFN sub-layers should be used, and the self-attention sub-layer is placed in between. This leads to a brand new architecture. Such an FFN-attention-FFN layer is "Macaron-like", and thus we call the network with this new architecture the Macaron Net. Through extensive experiments, we show that the Macaron Net is superior to the Transformer on both supervised and unsupervised learning tasks. The reproducible codes and pretrained models can be found at https://github.com/zhuohan123/macaron-net

  • 8 authors
·
Jun 6, 2019

Garment Particles: A 2D--3D Symmetric Garment Representation for Generation and Editing

Practical garment design spans two modes: intuitive creation from high-level intent, such as a reference image or text description, and complex low-level editing across 2D sewing patterns and 3D draped geometry, which requires professional training to navigate their complex interdependencies. Yet existing frameworks address only part of this challenge, offering either garment generation from casual inputs or direct editing on sewing patterns. To support both ends of the spectrum, we propose Garment Particles, a 5D point-cloud representation that jointly encodes 2D sewing patterns and 3D geometry. This representation enables Garment Particles Flow (GPF), a rectified flow framework that supports intuitive generation from high-level inputs (text, images, sketches) and various editing operations on 2D sewing patterns and 3D geometries via diffusion posterior sampling. Finally, we introduce Particles-to-Pattern Flow that converts generated garment particles into curved-based patterns for simulation. We validate our model's generation ability on multiple datasets, achieving state-of-the-art garment generation results against competitive baselines. Our model also enables many garment editing scenarios, including garment interpolation, sewing pattern editing, point-cloud- and silhouette-conditioned garment generation. Our project website is at https://garment-particles.github.io .

  • 6 authors
·
May 24

A General Framework for Inference-time Scaling and Steering of Diffusion Models

Diffusion models produce impressive results in modalities ranging from images and video to protein design and text. However, generating samples with user-specified properties remains a challenge. Recent research proposes fine-tuning models to maximize rewards that capture desired properties, but these methods require expensive training and are prone to mode collapse. In this work, we propose Feynman Kac (FK) steering, an inference-time framework for steering diffusion models with reward functions. FK steering works by sampling a system of multiple interacting diffusion processes, called particles, and resampling particles at intermediate steps based on scores computed using functions called potentials. Potentials are defined using rewards for intermediate states and are selected such that a high value indicates that the particle will yield a high-reward sample. We explore various choices of potentials, intermediate rewards, and samplers. We evaluate FK steering on text-to-image and text diffusion models. For steering text-to-image models with a human preference reward, we find that FK steering a 0.8B parameter model outperforms a 2.6B parameter fine-tuned model on prompt fidelity, with faster sampling and no training. For steering text diffusion models with rewards for text quality and specific text attributes, we find that FK steering generates lower perplexity, more linguistically acceptable outputs and enables gradient-free control of attributes like toxicity. Our results demonstrate that inference-time scaling and steering of diffusion models, even with off-the-shelf rewards, can provide significant sample quality gains and controllability benefits. Code is available at https://github.com/zacharyhorvitz/Fk-Diffusion-Steering .

  • 7 authors
·
Jan 12, 2025

AllShowers: One model for all calorimeter showers

Accurate and efficient detector simulation is essential for modern collider experiments. To reduce the high computational cost, various fast machine learning surrogate models have been proposed. Traditional surrogate models for calorimeter shower modeling train separate networks for each particle species, limiting scalability and reuse. We introduce AllShowers, a unified generative model that simulates calorimeter showers across multiple particle types using a single generative model. AllShowers is a continuous normalizing flow model with a Transformer architecture, enabling it to generate complex spatial and energy correlations in variable-length point cloud representations of showers. Trained on a diverse dataset of simulated showers in the highly granular ILD detector, the model demonstrates the ability to generate realistic showers for electrons, photons, and charged and neutral hadrons across a wide range of incident energies and angles without retraining. In addition to unifying shower generation for multiple particle types, AllShowers surpasses the fidelity of previous single-particle-type models for hadronic showers. Key innovations include the use of a layer embedding, allowing the model to learn all relevant calorimeter layer properties; a custom attention masking scheme to reduce computational demands and introduce a helpful inductive bias; and a shower- and layer-wise optimal transport mapping to improve training convergence and sample quality. AllShowers marks a significant step towards a universal model for calorimeter shower simulations in collider experiments.

  • 5 authors
·
Jan 16

Cybloids - Creation and Control of Cybernetic Colloids

Colloids play an important role in fundamental science as well as in nature and technology. They have had a strong impact on the fundamental understanding of statistical physics. For example, colloids have helped to obtain a better understanding of collective phenomena, ranging from phase transitions and glass formation to the swarming of active Brownian particles. Yet the success of colloidal systems hinges crucially on the specific physical and chemical properties of the colloidal particles, i.e. particles with the appropriate characteristics must be available. Here we present an idea to create particles with freely selectable properties. The properties might depend, for example, on the presence of other particles (hence mimicking specific pair or many-body interactions), previous configurations (hence introducing some memory or feedback), or a directional bias (hence changing the dynamics). Without directly interfering with the sample, each particle is fully controlled and can receive external commands through a predefined algorithm that can take into account any input parameters. This is realized with computer-controlled colloids, which we term cybloids - short for cybernetic colloids. The potential of cybloids is illustrated by programming a time-delayed external potential acting on a single colloid and interaction potentials for many colloids. Both an attractive harmonic potential and an annular potential are implemented. For a single particle, this programming can cause subdiffusive behavior or lend activity. For many colloids, the programmed interaction potential allows to select a crystal structure at wish. Beyond these examples, we discuss further opportunities which cybloids offer.

  • 4 authors
·
Aug 1, 2024

Necessary conditions for the Markovian Mpemba effect

The Mpemba effect is a thermodynamic anomaly in which a system farther away in temperature from equilibrium thermalizes before one that is initially closer. The effect has been experimentally observed across a wide range of systems, including water, colloids, and trapped ions. It has recently been the focus of numerous studies aimed at understanding its mechanisms and developing multiple applications. Despite extensive work in the field, clearly determining which types of systems exhibit the Mpemba effect remains an open question. To address this, we derive simple necessary conditions on the transition rates for the Mpemba effect in a Markovian 3-level system and show that they can be applied to study the Mpemba effect in an N-level system. Multiple time scales govern thermalization in these systems. This allows the evolution to occur more quickly across larger temperature differences, explaining the Mpemba effect. We apply our protocol to evaluate which types of systems exhibit the Mpemba effect and, in doing so, explain why the Mpemba effect in Markovian systems remains a thermodynamic anomaly. In particular, due to the maximum entropy principle, our conditions allow us to discard the sub-Ohmic and Ohmic spectra. The latter describes a wide range of physical and chemical phenomena, which will not exhibit the Mpemba effect. Moreover, our results provide a clear path to determine the minimal physical requirements for the Mpemba effect, and we apply them to understand its underlying mechanisms better. Finally, our protocol could help identify relevant parameters for experiments, numerical simulations and diverse applications.

  • 3 authors
·
Mar 3

Deciphering the "chemical" nature of the exotic isotopes of Hydrogen by the MC-QTAIM analysis: The positively charged Muon and the Muonic Helium as new members of the Periodic Table

This report is a primarily survey on the chemical nature of some exotic species containing the positively charged muon and the muonic Helium, i.e., the negatively charged muon plus helium nucleus, as exotic isotopes of hydrogen, using the newly developed multi-component quantum theory of atoms in molecules (MC-QTAIM) analysis, employing ab initio non-Born-Oppenhiemer wavefunctions. Accordingly, the "atoms in molecules" analysis performed on various asymmetric exotic isotopomers of hydrogen molecule, recently detected experimentally [Science 331, 448 (2011)], demonstrates that both the exotic isotopes are capable of forming atoms in molecules and retaining the identity of hydrogen atom. Various derived properties of atomic basins containing muonic helium cast no doubt that apart from its short life time, it is a heavier isotope of hydrogen while the properties of basins containing the positively charged muon are more remote from those of the orthodox hydrogen basins, capable of appreciable donation of electrons as well as large charge polarization; however, with some tolerance, they may be categorized also as hydrogen basins though with a smaller electronegativity. All in all, present study also clearly demonstrates that the MC-QTAIM analysis is an efficient approach to decipher the chemical nature of species containing exotic constituents, hard to be elucidated by experimental and/or alternative theoretical schemes.

  • 2 authors
·
Nov 25, 2013

Multiflavor Mott insulators in quantum materials and ultracold atoms

Mott insulators with large and active (or multiflavor) local Hilbert spaces widely occur in quantum materials and ultracold atomic systems, and are dubbed "multiflavor Mott insulators". For these multiflavored Mott insulating materials, the spin-only description with the quadratic spin interactions is often insufficient to capture the major physical processes. In the situation with active orbitals, the Kugel-Khomskii superexchange model was then proposed. We briefly review this historical model and discuss the modern developments beyond the original spin-orbital context. These include and are not restricted to the 4d/5d transition metal compounds with the spin-orbit-entangled J=3/2 quadruplets, the rare-earth magnets with two weakly-separated crystal field doublets, breathing magnets and/or the cluster and molecular magnets, et al. We explain the microscopic origin of the emergent Kugel-Khomskii physics in each realization with some emphasis on the J=3/2 quadruplets, and refer the candidate multiflavor Mott insulators as "J=3/2 Mott insulators". For the ultracold atoms, we review the multiflavor Mott insulator realization with the ultracold alkaline and alkaline-earth atoms on the optical lattices. Despite a large local Hilbert space from the atomic hyperfine spin states, the system could naturally realize a large symmetry group such as the Sp(N) and SU(N) symmetries. These ultracold atomic systems lie in the large-N regime of these symmetry groups and are characterized by strong quantum fluctuations. The Kugel-Khomskii physics and the exotic quantum ground states with the "baryon-like" physics can appear in various limits. We conclude with our vision and outlook on this subject.

  • 2 authors
·
Dec 5, 2021

Multiplicity dependence of (multi)strange hadrons in oxygen-oxygen collisions at s_{mathrm{NN}}~=~7 TeV using EPOS4 and AMPT

It is anticipated that the Large Hadron Collider (LHC) will collect data from oxygen-oxygen (O+O) collisions at a center-of-mass energy of s_{mathrm{NN}} = 7 TeV to explore the effects observed in high multiplicity proton-proton (p+p) and proton-lead (p+pb) collisions that closely related to lead-lead (Pb+Pb) collisions. These effects include azimuthal asymmetries in particle production, as well as variations in the abundances and momentum distributions across different hadron species, which are indicative of collective particle production mechanisms induced by the interactions in the presence of a QGP. The upcoming data on O+O collisions at the LHC are expected to constrain the model parameters and refine our understanding of theoretical models. In this work, the predicted transverse momentum (p_T) spectra, rapidity density distributions (dN/dy), particle yield ratios, and p_T-differential ratios of (multi)strange hadrons produced in O+O collisions at s_{mathrm{NN}} = 7 TeV using AMPT and EPOS4 models are presented. AMPT focuses on preformed hadronic interactions, while EPOS4 incorporates a QGP phase. Stronger radial flow in EPOS4 as compared to AMPT is also observed. AMPT incorporates some flow effects, but the implementation of full hydrodynamic flow in EPOS4 appears to be significantly more effective in reproducing the existing experimental data. Both models predict the final state multiplicity overlap with p+p, p+pb, and Pb+Pb collisions.

  • 6 authors
·
Nov 22, 2025

Deriving pulsar pair-production multiplicities from pulsar wind nebulae using H.E.S.S. and LHAASO observations

Pulsar Wind Nebulae (PWNe) dominate the galactic gamma-ray sky at very high energies, and are major contributors to the leptonic cosmic ray flux. However, whether or not pulsars also accelerate ions to comparable energies is not yet experimentally confirmed. We aim to constrain the birth period and pair-production multiplicity for a set of pulsars. In doing so, we aim to constrain the proportion of ions in the pulsar magnetosphere and hence the proportion of ions that could enter the pulsar wind. We estimate possible ranges of the value of the average pair production multiplicity for a sample of 26 pulsars in the Australia Telescope National Facility (ATNF) catalogue, which have also been observed by the High Energy Stereoscopic System (H.E.S.S.) telescopes. We then derive lower limits for the pulsar birth periods and average pair production multiplicities for a subset of these sources where the extent of the pulsar wind nebula and surrounding supernova shell have been measured in the radio. We also derive curves for the average pair production multiplicities as a function of birth period for sources recently observed by the Large High Altitude Air Shower Observatory (LHAASO). We show that there is a potential for hadrons entering the pulsar wind for most of the H.E.S.S. and LHAASO sources we consider, dependent upon the efficiency of luminosity conversion into particles. We also present estimates of the pulsar birth period for six of these sources, which all fall into the range of simeq10-50 ms.

  • 2 authors
·
Feb 3, 2025

Beyond monoculture: Polydisperse moment methods for sub-stellar atmosphere cloud microphysics II. A three-moment gamma distribution formulation for GCM applications

Context. Understanding how the shape of cloud particle size distributions affects the atmospheric properties of sub-stellar atmospheres is a key area to explore, particularly in the JWST era of broad wavelength coverage, where observations are sensitive to particle size distributions. It is therefore important to elucidate how underlying cloud microphysical processes influence the size distribution, in order to better understand how clouds affect observed atmospheric properties. Aims. In this follow-up paper, we aim to extend our sub-stellar atmosphere microphysical cloud formation framework from Paper I to include effects of assuming a polydisperse gamma particle size distribution, requiring a three-moment solution set of equations. Methods. We develop a three-moment framework for sub-stellar mineral cloud particle microphysical nucleation, condensation, evaporation and collisional growth assuming a gamma distribution. As in the previous paper, we demonstrate the effects of polydispersity using a simple one-dimensional Y-dwarf KCl cloud formation scenario, and compare the results with the monodisperse case. Results. Our three-moment scheme provides a generalised framework applicable to any size distribution with a defined moment generation expression. In our test case, we show that the gamma distribution evolves with altitude, initially broad at the cloud base and narrowing at lower pressures. We find that differences between the gamma and monodisperse cloud structures can be significant, depending on the surface gravity of the atmosphere. Conclusions. We present a self-consistent framework for including the effects of polydispersity for sub-stellar microphysical cloud studies using the moment method.

  • 2 authors
·
Jul 17, 2025

Physically Embodied Gaussian Splatting: A Realtime Correctable World Model for Robotics

For robots to robustly understand and interact with the physical world, it is highly beneficial to have a comprehensive representation - modelling geometry, physics, and visual observations - that informs perception, planning, and control algorithms. We propose a novel dual Gaussian-Particle representation that models the physical world while (i) enabling predictive simulation of future states and (ii) allowing online correction from visual observations in a dynamic world. Our representation comprises particles that capture the geometrical aspect of objects in the world and can be used alongside a particle-based physics system to anticipate physically plausible future states. Attached to these particles are 3D Gaussians that render images from any viewpoint through a splatting process thus capturing the visual state. By comparing the predicted and observed images, our approach generates visual forces that correct the particle positions while respecting known physical constraints. By integrating predictive physical modelling with continuous visually-derived corrections, our unified representation reasons about the present and future while synchronizing with reality. Our system runs in realtime at 30Hz using only 3 cameras. We validate our approach on 2D and 3D tracking tasks as well as photometric reconstruction quality. Videos are found at https://embodied-gaussians.github.io/.

  • 4 authors
·
Jun 15, 2024

Multiple-basis representation of quantum states

Classical simulation of quantum physics is a central approach to investigating physical phenomena. Quantum computers enhance computational capabilities beyond those of classical resources, but it remains unclear to what extent existing limited quantum computers can contribute to this enhancement. In this work, we explore a new hybrid, efficient quantum-classical representation of quantum states, the multiple-basis representation. This representation consists of a linear combination of states that are sparse in some given and different bases, specified by quantum circuits. Such representation is particularly appealing when considering depth-limited quantum circuits within reach of current hardware. We analyze the expressivity of multiple-basis representation states depending on the classical simulability of their quantum circuits. In particular, we show that multiple-basis representation states include, but are not restricted to, both matrix-product states and stabilizer states. Furthermore, we find cases in which this representation can be used, namely approximation of ground states, simulation of deeper computations by specifying bases with shallow circuits, and a tomographical protocol to describe states as multiple-basis representations. We envision this work to open the path of simultaneous use of several hardware-friendly bases, a natural description of hybrid computational methods accessible for near-term hardware.

  • 4 authors
·
Jan 26, 2025

On the Higgs spectra of the 3-3-1 model with the sextet of scalars engendering the type II seesaw mechanism

In the 3-3-1 model with right-handed neutrinos, three triplets of scalars engender the correct sequence of symmetry breaking, SU(3)_C times SU(3)_L times U(1)_X rightarrow SU(3)_C times SU(2)_L times U(1)_Y rightarrow SU(3)_C times U(1)_{EM}, generating mass for all fermions, except neutrinos. Tiny neutrino masses may be achieved by adding one sextet of scalars to the original scalar content. As consequence, it emerges a very complex scalar sector, involving terms that violate lepton number explicitly, too. The main obstacle to the development of the phenomenology of such scenario is the knowledge of its spectrum of scalars since, now, there are 15 massive scalar particles on it. The proposal of this work is to do an exhaustive analysis of such scalar sector with lepton number being explicitly violated at low, electroweak and high energy scales by means of trilinear terms in the potential. The first case can be addressed analytically and, as a nice result, we have observed that the scalar content of such case is split into two categories: One belonging to the 331 energy scale and the other belonging to the EWSB energy scale, with the last recovering the well known THDM+triplet. For the other cases, the scalar sector can be addressed only numerically. Hence, we proposed a very general approach for the numerical study of the potential, avoiding simplifications that can make us reach conclusions without foundation. We show that, in the case of lepton number being explicitly violated at electroweak scale, it is possible to recover the same physics of the THDM+triplet, as the previous case. Among all the possibilities, we call the attention to one special case which generates the 3HDM+triplet scenario. For the last case, when lepton number is violated at high energy scale, the sextet become very massive and decouples from the original scalar content of the 3-3-1 model.

  • 2 authors
·
Dec 20, 2022

Quarks to Cosmos: Particles and Plasma in Cosmological evolution

We describe in the context of the particle physics (PP) standard model (SM) `PP-SM' the understanding of the primordial properties and composition of the Universe in the temperature range 130GeV>T>20keV. The Universe evolution is described using FLRW cosmology. We present a global view on particle content across time and describe the different evolution eras using deceleration parameter q. We follow the arrow of time in the expanding and cooling Universe: After the PP-SM heavies (t, h, W, Z) diminish in abundance below Tsimeq 50GeV, the PP-SM plasma in the Universe is governed by the strongly interacting Quark-Gluon content. Once the temperature drops below Tsimeq 150MeV, quarks and gluons hadronize into strongly interacting matter particles. Rapid disappearance of baryonic antimatter completes at T_B=38.2MeV. We study the ensuing disappearance of strangeness and mesons in general. We show that the different eras defined by particle populations are barely separated from each other with abundance of muons fading out just prior to T=O(2.5)MeV, the era of emergence of the free-streaming neutrinos. We discuss the two relevant fundamental constants controlling the decoupling of neutrinos. We subsequently follow the primordial Universe as it passes through the hot dense electron-positron plasma epoch. The high density of positron antimatter disappears near T=20.3keV: Nuclear reactions occur in the presence of a highly mobile and relatively strongly interacting electron-positron plasma phase. We apply plasma theory methods to describe the strong screening effects between heavy dust particle (nucleons). We analyze the paramagnetic characteristics of the electron-positron plasma when exposed to an external primordial magnetic field.

  • 5 authors
·
Sep 26, 2024

Surprising Variation of Gamma Rays from the Sun over the Solar Cycle Revealed with Fermi-LAT

The steady-state gamma-ray emission from the Sun is thought to consist of two emission components due to interactions with Galactic cosmic rays: (1) a hadronic component covering the solar disk, and (2) a leptonic component peaking at the solar edge and extending into the heliosphere. The flux of these components is expected to vary with the 11-year solar cycle, being highest during solar minimum and lowest during solar maximum, because it is correlated with the cosmic-ray flux. No study has yet analyzed the flux variation of the two components separately over solar cycles. In this work, we measure the temporal variations of the flux of each component over 15 years of Fermi Large Area Telescope observations and compare them with the sunspot number and Galactic cosmic-ray flux from AMS-02 near the Earth. We find that the flux variation of the disk anticorrelates with solar activity and correlates with cosmic-ray protons, confirming its emission mechanism. The flux variation of the extended component anticorrelates with solar activity only until mid 2012. After that, we no longer observe any correlation or anticorrelation, even with the CR electron flux. This most likely suggests that cosmic-ray transport and modulation in the inner heliosphere are unexpectedly complex and different for electrons and protons or, alternatively, the presence of an additional, unknown component of gamma rays or cosmic rays. These findings impact space weather research and emphasize the need for close monitoring of Cycle 25 and the ongoing polarity reversal.

  • 103 authors
·
May 9, 2025

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

Muon: Training and Trade-offs with Latent Attention and MoE

We present a comprehensive theoretical and empirical study of the Muon optimizer for training transformers only with a small to medium decoder (30M - 200M parameters), with an emphasis on its mathematical foundations, convergence properties and synergistic interactions with modern architectural optimizations. Building on recent work showing Muon's scalability, we provide rigorous theoretical analysis including: (i)showing the convergence rate under standard assumptions, (ii) spectral regularization properties that prevent gradient explosion, (iii) connection to natural gradient descent on the Stiefel manifold, and (iv) equivalence to steepest gradient descent under the spectral norm. Crucially, we demonstrate that Muon expands the Pareto frontier in the compute-time trade-off by maintaining superior data efficiency at large batch sizes, a key finding of~essentialai2025muon that we validate across our model scales. Empirically, Muon reaches the target loss with 48-52\% of the training calculated by AdamW while maintaining or improving the final perplexity, consistent with larger-scale results. When combined with Multi-Head Latent Attention (MLA) and Mixture-of-Experts (MoE), we observe multiplicative efficiency gains: MLA+MoE+Muon achieves 68\% memory reduction and 3.2times inference speedup, while improving perplexity by 8-12\%. We provide detailed procedures on 15 architectural and optimizer components, stability analyzes across 100+ training runs, and practical implementation guidelines including Newton-Schulz coefficients (3.4445, -4.7750, 2.0315) optimized by~su2024muonblog. Our theoretical analysis and comprehensive experiments establish Muon as a principled, robust alternative to AdamW that particularly excels when combined with modern efficiency techniques and large-batch training regimes.

  • 4 authors
·
Sep 29, 2025

Dynamics of the Beta Pictoris planetary system and possibility of an additional planet

The Beta Pictoris system is characterized by a dusty debris disk, in addition to the presence of two already known planets. This makes it a particularly interesting case for studying the formation and evolution of planetary systems at a stage where giant planets have already formed, most of the protoplanetary gas has dissipated, and terrestrial planets could emerge. Our goal here is to explore the possibility of additional planets orbiting beyond the outermost known one, beta Pic b. More specifically, we aim to assess whether additional planets in the system could explain the discrepancy between the predicted cutoff of the disk inner cavity at sim28 au with only two planets, and the observed one at sim50 au. We perform an exhaustive dynamical modeling of the debris disk and the carving of its inner edge, by introducing one or two additional planets beyond beta Pic b, coplanar with the disk. Guided by theoretical predictions for the parameter space - mass, semi-major axis, eccentricity - allowed for additional planets, we further carry out a set of N-body simulations, using the symplectic integrator RMVS3. Our simulations indicate that an additional planet with a low eccentricity of 0.05, a mass between 0.15 and 1 M_{Jup}, and a semi-major axis between 30 and 36 au, would be consistent with the observations of an inner debris disk edge at 50 au. We have also explored the hypotheses of a higher eccentricity and the presence of two additional lower mass planets instead of one, which could also account for these observations. While we have found that one or even two additional planets could explain the observed location of the disk inner edge, these hypothetical planets remain in most cases below the current observational limits of high contrast imaging. Future observational campaigns with improved sensitivity will help lowering these limits and perhaps detect that planet.

  • 4 authors
·
Jan 6, 2025

Search for dark matter subhalos among unassociated Fermi-LAT sources in presence of dataset shift

We search for dark matter (DM) annihilating subhalos of the Milky Way halo among the Fermi Large Area Telescope (LAT) unassociated sources. We construct, for the first time, a statistical model of the unassociated sources at latitudes above 10 degrees. The latter is built as a combination of both DM annihilation subhalos as well as Galactic and extragalactic astrophysical components. The astrophysical components are constructed based on distributions of associated sources, while the distribution of DM subhalos is derived from Monte Carlo simulations. In this model we take into account the differences in the distributions of associated and unassociated sources including both covariate and prior probability shifts (both being forms of ``dataset shifts''). Previous searches of DM subhalos were based on classify-and-count strategies, while the approach adopted in this work is based on quantification learning, which allows one to determine a well-defined statistical interpretation of the contribution of a population of DM subhalos to the unassociated Fermi-LAT sources. In the bb annihilation channel and for a range of DM masses from 10 GeV to 1 TeV, we don't find a significant contribution from DM subhalos and derive a statistical 95% confidence upper limit on the DM annihilation cross section in this channel. While the derived limits are consistent with previous classify-and-count approaches, our generative statistical model opens new avenues for population studies of Fermi-LAT sources and, more generally, for searches of anomalies on top of backgrounds in presence of statistical and systematic uncertainties.

  • 5 authors
·
Mar 18, 2025

Deep learning probability flows and entropy production rates in active matter

Active matter systems, from self-propelled colloids to motile bacteria, are characterized by the conversion of free energy into useful work at the microscopic scale. These systems generically involve physics beyond the reach of equilibrium statistical mechanics, and a persistent challenge has been to understand the nature of their nonequilibrium states. The entropy production rate and the magnitude of the steady-state probability current provide quantitative ways to do so by measuring the breakdown of time-reversal symmetry and the strength of nonequilibrium transport of measure. Yet, their efficient computation has remained elusive, as they depend on the system's unknown and high-dimensional probability density. Here, building upon recent advances in generative modeling, we develop a deep learning framework that estimates the score of this density. We show that the score, together with the microscopic equations of motion, gives direct access to the entropy production rate, the probability current, and their decomposition into local contributions from individual particles, spatial regions, and degrees of freedom. To represent the score, we introduce a novel, spatially-local transformer-based network architecture that learns high-order interactions between particles while respecting their underlying permutation symmetry. We demonstrate the broad utility and scalability of the method by applying it to several high-dimensional systems of interacting active particles undergoing motility-induced phase separation (MIPS). We show that a single instance of our network trained on a system of 4096 particles at one packing fraction can generalize to other regions of the phase diagram, including systems with as many as 32768 particles. We use this observation to quantify the spatial structure of the departure from equilibrium in MIPS as a function of the number of particles and the packing fraction.

  • 2 authors
·
Sep 22, 2023

Linear statistics for Coulomb gases: higher order cumulants

We consider N classical particles interacting via the Coulomb potential in spatial dimension d and in the presence of an external trap, at equilibrium at inverse temperature beta. In the large N limit, the particles are confined within a droplet of finite size. We study smooth linear statistics, i.e. the fluctuations of sums of the form {cal L}_N = sum_{i=1}^N f({bf x}_i), where {bf x}_i's are the positions of the particles and where f({bf x}_i) is a sufficiently regular function. There exists at present standard results for the first and second moments of {cal L}_N in the large N limit, as well as associated Central Limit Theorems in general dimension and for a wide class of confining potentials. Here we obtain explicit expressions for the higher order cumulants of {cal L}_N at large N, when the function f({bf x})=f(|{bf x}|) and the confining potential are both rotationnally invariant. A remarkable feature of our results is that these higher cumulants depend only on the value of f'(|{bf x}|) and its higher order derivatives evaluated exactly at the boundary of the droplet, which in this case is a d-dimensional sphere. In the particular two-dimensional case d=2 at the special value beta=2, a connection to the Ginibre ensemble allows us to derive these results in an alternative way using the tools of determinantal point processes. Finally we also obtain the large deviation form of the full probability distribution function of {cal L}_N.

  • 4 authors
·
Oct 25, 2023

Multiphysics Bench: Benchmarking and Investigating Scientific Machine Learning for Multiphysics PDEs

Solving partial differential equations (PDEs) with machine learning has recently attracted great attention, as PDEs are fundamental tools for modeling real-world systems that range from fundamental physical science to advanced engineering disciplines. Most real-world physical systems across various disciplines are actually involved in multiple coupled physical fields rather than a single field. However, previous machine learning studies mainly focused on solving single-field problems, but overlooked the importance and characteristics of multiphysics problems in real world. Multiphysics PDEs typically entail multiple strongly coupled variables, thereby introducing additional complexity and challenges, such as inter-field coupling. Both benchmarking and solving multiphysics problems with machine learning remain largely unexamined. To identify and address the emerging challenges in multiphysics problems, we mainly made three contributions in this work. First, we collect the first general multiphysics dataset, the Multiphysics Bench, that focuses on multiphysics PDE solving with machine learning. Multiphysics Bench is also the most comprehensive PDE dataset to date, featuring the broadest range of coupling types, the greatest diversity of PDE formulations, and the largest dataset scale. Second, we conduct the first systematic investigation on multiple representative learning-based PDE solvers, such as PINNs, FNO, DeepONet, and DiffusionPDE solvers, on multiphysics problems. Unfortunately, naively applying these existing solvers usually show very poor performance for solving multiphysics. Third, through extensive experiments and discussions, we report multiple insights and a bag of useful tricks for solving multiphysics with machine learning, motivating future directions in the study and simulation of complex, coupled physical systems.

  • 5 authors
·
May 23, 2025

Hierarchical universal open structure dataset for atomistic modeling

Atomic-scale simulations have been transformed by machine-learning models that predict the properties of atomistic structures with the accuracy of quantum calculations, but at a small fraction of the cost. These models have increased dramatically in generality, thanks to the availability of synthetic datasets of ever-increasing size and scope. The proliferation of datasets, with properties often computed using different levels of electronic-structure approximation, is problematic, as there is often overlap between different datasets, and strong correlations between structures obtained with short molecular dynamics trajectories or geometry optimization. To address these problems, we introduce a protocol to stratify a dataset into a hierarchy of nested subsets, subsampling from the coarsest to the finest resolution based on an "ecumetric" built to reflect the latent space representation of several popular universal machine-learning interatomic potentials. We then use this approach to combine most of the open structural datasets currently available, consolidating them into MAD-COSMO, a well-organized collection of almost 1.7 billion structures, whose 2^{24} most diverse members form the MAD-CORE stratified coreset, which can be easily used for all sorts of tasks, from exploratory experiments to the training of foundation models at scale. We envision that this collection will guide and help coordinate future efforts, focusing them on the most relevant and/or undersampled regions of chemical and structural space, and that it will be further extended to incorporate the outcomes of the collective work of this community.

  • 4 authors
·
Oct 14

Water Enrichment from Pebble Drift in Disks with Gap-forming Planets

Volatiles like H_2O are present as ice in solids in the outer cold regions of protoplanetary disks and as vapor in the warm inner regions within the water snow line. Icy pebbles drifting inwards from the outer disk sublimate after crossing the snow line, enriching the inner disk with solid mass and water vapor. Meanwhile, proto-planets forming within the disk open gaps in the disk gas, creating traps against the inward drift of pebbles and in turn reducing water enrichment in the inner disk. Recent disk observations from millimeter interferometry and infrared spectroscopy have supported this broad picture by finding a correlation between the outer radial distribution of pebbles and the properties of inner water vapor spectra. In this work, we aim at further informing previous and future observations by building on previous models to explore pebble drift in disks with multiple gaps. We systematically explore multiple gap locations and their depths (equivalent to specific masses of planets forming within), and different particle sizes to study their impact on inner disk water enrichment. We find that the presence of close-in deep gaps carved by a Jupiter-mass planet is likely crucial for blocking icy pebble delivery into the inner disk, while planets with lower masses only provide leaky traps. We also find that disks with multiple gaps show lower vapor enrichment in the inner disk. Altogether, these model results support the idea that inner disk water delivery and planet formation are regulated by the mass and location of the most massive planets.

  • 3 authors
·
Dec 5, 2024

Proton emission half-lives and shape coexistence for 71 leq Z leq 83 odd-Z nuclei

One-proton emission is a direct probe of nuclear structure near the proton drip line and plays a critical role in understanding exotic decay modes and nucleosynthesis processes. In this study, we investigate the half-lives of one-proton emitters for 71 leq Z leq 83 odd-Z nuclei by employing the WKB approximation with nuclear potentials obtained from the deformed relativistic Hartree-Bogoliubov theory in continuum (DRHBc) and, for comparison, the relativistic continuum Hartree-Bogoliubov theory (RCHB). We first compare the calculated half-lives with available experimental data. The inclusion of quadrupole deformation via the DRHBc hardly contributes to improving the predictions of half-lives for the deformed nuclei. We find that all the studied nuclei exhibit ground states with |β_{2,{rm DRHBc}}| < 0.15, and within this limited deformation range the spectroscopic factor provides the dominant contribution to the half-life, compared to the decay width. In particular, for nuclei exhibiting shape coexistence in DRHBc, such as ^{170}Au, where the half-life varies significantly with the quadrupole deformation through its effect on the spectroscopic factor, we expect shape coexistence to exert a substantial influence on the variation of half-lives. Finally, we discuss the half-lives in consideration of shape coexistence. Our results indicate that the calculated half-life is governed not by the total-energy difference between coexisting minima but rather by the spectroscopic factor influenced by the deformation.

  • 3 authors
·
Aug 19

Analysis of the JWST spectra of the kilonova AT 2023vfi accompanying GRB 230307A

Kilonovae are key to advancing our understanding of r-process nucleosynthesis. To date, only two kilonovae have been spectroscopically observed, AT 2017gfo and AT 2023vfi. Here, we present an analysis of the James Webb Space Telescope (JWST) spectra obtained +29 and +61 days post-merger for AT 2023vfi (the kilonova associated with GRB 230307A). After re-reducing and photometrically flux-calibrating the data, we empirically model the observed X-ray to mid-infrared continua with a power law and a blackbody, to replicate the non-thermal afterglow and apparent thermal continuum gtrsim 2 , mum. We fit Gaussians to the apparent emission features, obtaining line centroids of 20218_{-38}^{+37}, 21874 pm 89 and 44168_{-152}^{+153}\,\AA, and velocity widths spanning 0.057 - 0.110\,c. These line centroid constraints facilitated a detailed forbidden line identification search, from which we shortlist a number of r-process species spanning all three r-process peaks. We rule out Ba II and Ra II as candidates and propose Te I-III, Er I-III and W III as the most promising ions for further investigation, as they plausibly produce multiple emission features from one (W III) or multiple (Te I-III, Er I-III) ion stages. We compare to the spectra of AT 2017gfo, which also exhibit prominent emission at sim 2.1 , mum, and conclude that [Te III] lambda21050 remains the most plausible cause of the observed sim 2.1 , mum emission in both kilonovae. However, the observed line centroids are not consistent between both objects, and they are significantly offset from [Te III] lambda21050. The next strongest [Te III] transition at 29290\,\AA\ is not observed, and we quantify its detectability. Further study is required, with particular emphasis on expanding the available atomic data to enable quantitative non-LTE spectral modelling.

  • 2 authors
·
Aug 20, 2024

WorldParticle: Unified World Simulation of Lagrangian Particle Dynamics via Transformer

A unified simulator that can model diverse physical phenomena without solver-specific redesign is a long-standing goal across simulation science. We present a learning-based particle simulator built on a single transformer architecture to model cloth, elastic solds, Newtonian and non-Newtonian fluids, granular materials, and molecular dynamics. Our model follows a prediction-correction design on a shared Lagrangian particle representation. An explicit predictor first advances particles under the known external forces, producing an intermediate state that captures externally driven motion but not inter-particle interactions. A learned corrector then predicts the residual position and velocity updates through three stages: a particle tokenizer that encodes local particle-particle, particle-boundary, and topology-guided interactions; a super-token encoder that hierarchically merges particle tokens into a compact set of super tokens via alternating self-attention and token merging; and a super-token decoder that lifts these super tokens back to particle resolution through cross-attention to predict per-particle position and velocity corrections. Progressive token merging reduces the attention cost at successive encoder layers by halving the token count at each level, and the decoder communicates through the compact super-token set rather than full particle-to-particle attention. Across the six dynamics categories, the same architecture generalizes to unseen materials, boundary configurations, initial conditions, and external forces. We further demonstrate downstream interactive control, inverse design, and learning from real-world manipulation data, reducing the need for per-phenomenon solver engineering.

  • 16 authors
·
May 19

Core and Halo Properties in Multi-Field Wave Dark Matter

In this work, we compute multi-field core and halo properties in wave Dark Matter models. We focus on the case where Dark Matter consists of two light (real) scalars, interacting gravitationally. As in the single-field Ultra Light Dark Matter (ULDM) case, the scalar field behaves as a coherent BEC with a definite ground state (at fixed total mass), often referred to in the literature as a gravitational soliton. We establish an efficient algorithm to find the ground and excited states of such two-field systems. We then use simulations to investigate the gravitational collapse and virialization, starting from different initial conditions, into solitons and surrounding halo. As in the single-field case, a virialized halo forms with a gravitational soliton (ground state) at the center. We find some evidence for an empirical relation between the soliton mass and energy and those of the host halo. We use this to then find a numerical relation between the properties of the two. Finally, we use this to address the issue of alleviating some of the tensions that single-field ULDM has with observational data, in particular, the issue of how a galaxy's core and radius are related. We find that if galaxies of different masses have similar percentages of the two species, then the core-radius scaling tension is not addressed. However, more general possibilities occur if the relative abundance of species in each halo correlates with the total mass of the galaxy. If this is the case, the model predicts several other phenomenological signatures.

  • 3 authors
·
Oct 30, 2023

Detection asymmetry in solar energetic particle events

Context. Solar energetic particles (SEPs) are detected in interplanetary space in association with flares and coronal mass ejections (CMEs) at the Sun. The magnetic connection between the observing spacecraft and the solar active region (AR) source of the event is a key parameter in determining whether SEPs are observed and the properties of the particle event. Aims. We investigate whether an east-west asymmetry in the detection of SEP events is present in observations and discuss its possible link to corotation of magnetic flux tubes with the Sun. Methods. We used a published dataset of 239 CMEs recorded between 2006 and 2017 and having source regions both on the front side and far side of the Sun as seen from Earth. We produced distributions of occurrence of in-situ SEP intensity enhancements associated with the CME events, versus \Delta \phi, the separation in longitude between the source active region and the magnetic footpoint of the observing spacecraft based on the nominal Parker spiral. We focused on protons of energy >10 MeV measured by the STEREO A, STEREO B and GOES spacecraft at 1 au. We also considered the occurrence of 71-112 keV electron events detected by MESSENGER between 0.31 and 0.47 au. Results. We find an east-west asymmetry in the detection of >10 MeV proton events and of 71-112 keV electron events. For protons, observers for which the source AR is on the east side of the spacecraft footpoint and not well connected (-180 < \Delta \phi < -40) are 93% more likely to detect an SEP event compared to observers with +40 < \Delta \phi < +180. The asymmetry may be a signature of corotation of magnetic flux tubes with the Sun, given that for events with \Delta \phi < 0 corotation sweeps the particle-filled flux tubes towards the observing spacecraft, while for \Delta \phi > 0 it takes them away from it.

  • 9 authors
·
Nov 12, 2024