Daily Papers

Stochastic bubble nucleation makes the local completion time of a first-order phase transition a random spatial field. We study its power spectrum and equilateral bispectrum in Minkowski and de Sitter backgrounds, with particular emphasis on the infrared consequences of a finite transition duration. In an eternally extended de Sitter history, rare bubbles nucleated in the remote past generate an ancient-bubble tail that produces a hierarchy of infrared-sensitive spatial moments. For the two-point function, the first finite-k correction becomes tail sensitive at H/β=1/5, while the leading moment becomes singular at H/β=1/3. The corresponding three-point thresholds are H/β=1/8 and 1/6, showing that the bispectrum is more infrared sensitive than the power spectrum. For any finite starting time, however, the ancient-bubble tail is cut off, all spatial moments remain finite, and the strict infrared spectra recover the analytic white-noise limits {cal P}_τpropto k^3 and {cal B}^{rm eq}_τpropto k^6. The eternal-background thresholds instead control the duration dependence of the moment coefficients and the crossover into an intermediate tail-sensitive regime, in agreement with our numerical calculations. We further show that temporal localization of the nucleation history provides a smooth regulator of the ancient-bubble tail and restores the same analytic infrared limits. These results establish a general first-arrival framework for completion-time fluctuations and clarify how de Sitter expansion can generate distinct power-spectrum and bispectrum infrared hierarchies relevant to curvature perturbations and non-Gaussianity.

Bubbles frequently emerge in dense chiral active fluids, yet it remains unclear whether they result from an instability of the homogeneous state or from rare nucleation events within a metastable phase. Here we develop a nucleation theory for chiral bubble formation by reducing the hydrodynamic equations to a single collective coordinate, the bubble radius. This reduction yields an effective nonlinear potential that captures the radial dynamics and predicts distinct stable, metastable, and unstable regimes of the homogeneous state. In the metastable regime, the theory identifies a critical bubble radius and an associated effective mechanical-work barrier, while its large-radius behavior determines whether bubble growth saturates at a finite size or becomes unbounded. We further analyze the stability of circular bubbles against noncircular perturbations, finding growing modes that can lead to elongation and breakup. The theoretical predictions are tested against event-driven molecular-dynamics simulations of chiral hard disks, which reproduce the predicted trends in the critical radius, nucleation barrier, and selected bubble size. Our results establish a unified framework for stability and nucleation in chiral active fluids and suggest routes to control bubble formation in experiments with spinning colloids and chiral spinners.

The decay of metastable 'false vacuum' states via bubble nucleation plays a crucial role in many cosmological scenarios. Cold-atom analog experiments will soon provide the first empirical probes of this process, with potentially far-reaching implications for early-Universe cosmology and high-energy physics. However, an inevitable difference between these analog systems and the early Universe is that the former have a boundary. We show, using a combination of Euclidean calculations and real-time lattice simulations, that these boundaries generically cause rapid bubble nucleation on the edge of the experiment, obscuring the bulk nucleation that is relevant for cosmology. We demonstrate that implementing a high-density 'trench' region at the boundary completely eliminates this problem, and recovers the desired cosmological behavior. Our findings are relevant for ongoing efforts to probe vacuum decay in the laboratory, providing a practical solution to a key experimental obstacle.

Air lubrication regimes were studied using simultaneous drag force measurements and multi-plane imaging to characterize the regimes and identify the governing mechanisms of drag reduction. A bubbly, transitional, and air layer regime are identified over a large range of freestream velocities (U_{infty}), air flow rates (Q_{air}), and Froude-depth numbers (Fr_d). For the lowest U_{infty}, drag reduction lags significantly behind the non-wetted area coverage at all cases and no simple correlation exists. Within the bubbly regime, a drag increase is found for low U_{infty} with large, slow-moving bubbles forming a single layer over the plate height. For higher velocities, bubbles become smaller and disperse vertically, while the drag starts decreasing. For higher Q_{air}, irrespective of U_{infty}, air patches start to form (transitional regime) and drag monotonically decreases, with the onset of the air layer regime at 60\% drag reduction. A new scaling of the associated critical Q_{air} is proposed, combining the air exit velocity, the liquid velocity close to the air layer and Fr_d. For a further increase of Q_{air} and low U_{infty}, a thicker and smoother air layer is formed with even lower drag; for higher U_{infty}, marginal differences are observed. The air layer morphology is significantly altered however, depending on Fr_d: for Fr_d>0.7, it is unbounded, extending beyond the current test section length, and for subcritical conditions (deep water regime, Fr_d<0.61) a closure is formed and the air layer transitions to a cavity of a specific length.

This paper introduces a continuous-time stochastic dynamical framework for understanding how large language models (LLMs) may self-amplify latent biases or toxicity through their own chain-of-thought reasoning. The model posits an instantaneous "severity" variable x(t) in [0,1] evolving under a stochastic differential equation (SDE) with a drift term μ(x) and diffusion σ(x). Crucially, such a process can be consistently analyzed via the Fokker--Planck approach if each incremental step behaves nearly Markovian in severity space. The analysis investigates critical phenomena, showing that certain parameter regimes create phase transitions from subcritical (self-correcting) to supercritical (runaway severity). The paper derives stationary distributions, first-passage times to harmful thresholds, and scaling laws near critical points. Finally, it highlights implications for agents and extended LLM reasoning models: in principle, these equations might serve as a basis for formal verification of whether a model remains stable or propagates bias over repeated inferences.

Growing biochemical systems are intrinsically noisy, with one important source of stochasticity arising from the discrete reaction events of the underlying biochemical network. Because growing systems do not generally admit stationary abundance distributions, it is unclear how to separate this intrinsic chemical noise from other sources of variability in population and single-cell data. Here we develop a large-deviation theory for exponentially growing stochastic chemical reaction networks by decomposing abundance into volume and composition. In these coordinates, balanced growth corresponds to a stable composition together with exponentially increasing volume. We show that composition fluctuations satisfy a large-deviation principle with speed equal to the volume of the growing system, and the corresponding quasipotential is selected by a solution of the contact Hamilton--Jacobi equation. We also derive a fluctuation theory for accumulated observables and show that their covariances decay with accumulated-volume, rather than with physical time. Applications to a minimal autocatalytic network and a coarse-grained cellular growth model demonstrate how the theory predicts composition quasipotentials, growth-rate fluctuations, and correlations between observables. The framework therefore provides a stochastic null model for single-cell heterogeneity generated by the intrinsic stochasticity of the underlying chemical reaction network.

This chapter provides a pedagogical introduction and overview of spatial and temporal correlation and fluctuation effects resulting from the fundamentally stochastic kinetics underlying chemical reactions and the dynamics of populations or epidemics. After reviewing the assumptions and mean-field type approximations involved in the construction of chemical rate equations for uniform reactant densities, we first discuss spatial clustering in birth-death systems, where non-linearities are introduced through either density-limiting pair reactions, or equivalently via local imposition of finite carrying capacities. The competition of offspring production, death, and non-linear inhibition induces a population extinction threshold, which represents a non-equilibrium phase transition that separates active from absorbing states. This continuous transition is characterized by the universal scaling exponents of critical directed percolation clusters. Next we focus on the emergence of depletion zones in single-species annihilation processes and spatial population segregation with the associated reaction fronts in two-species pair annihilation. These strong (anti-)correlation effects are dynamically generated by the underlying stochastic kinetics. Finally, we address noise-induced and fluctuation-stabilized spatio-temporal patterns in basic predator-prey systems, exemplified by spreading activity fronts in the two-species Lotka-Volterra model as well as spiral structures in the May-Leonard variant of cyclically competing three-species systems akin to rock-paper-scissors games.

We quantify the impact of higher-dimensional operators in the effective theory for bubble nucleation, focusing on supercooled phase transitions in the classically conformal Abelian-Higgs model. While high-temperature dimensional reduction organizes hard thermal corrections into a tower of operators in a three-dimensional effective field theory, recent results show that dimension-six terms can dominate over higher-loop corrections to the equilibrium thermodynamics of the strongest transitions. To assess their effect on the nucleation rate and the derived near-equilibrium phase-transition observables, we develop a perturbative framework that includes them in the full one-loop nucleation rate. Including higher-dimensional operators both in the bounce action and in the fluctuation determinants, we solve the resulting Sturm-Liouville problem without a derivative expansion, using a modified Gel'fand-Yaglom method. For strongly supercooled transitions, we find that higher-dimensional operators only marginally affect the nucleation rate and the resulting observables. As a byproduct, we delineate the regime of validity of the high-temperature nucleation effective theory in supercooled phase transitions.

Generative models have demonstrated remarkable success in domains such as text, image, and video synthesis. In this work, we explore the application of generative models to fluid dynamics, specifically for turbulence simulation, where classical numerical solvers are computationally expensive. We propose a novel stochastic generative model based on stochastic interpolants, which enables probabilistic forecasting while incorporating physical constraints such as energy stability and divergence-freeness. Unlike conventional stochastic generative models, which are often agnostic to underlying physical laws, our approach embeds energy consistency by making the parameters of the stochastic interpolant learnable coefficients. We evaluate our method on a benchmark turbulence problem - Kolmogorov flow - demonstrating superior accuracy and stability over state-of-the-art alternatives such as autoregressive conditional diffusion models (ACDMs) and PDE-Refiner. Furthermore, we achieve stable results for significantly longer roll-outs than standard stochastic interpolants. Our results highlight the potential of physics-aware generative models in accelerating and enhancing turbulence simulations while preserving fundamental conservation properties.

Self-propelled particles that only repel one another can still separate into a dense and a dilute phase, a process known as motility-induced phase separation (MIPS). In a clean system the domains coarsen like any conserved mixture: domains grow as ell(t)sim t^{1/3}. Living and synthetic swimmers, however, move through rough, porous, or patterned surroundings. Using large-scale simulations of active Brownian particles, we ask how frozen heterogeneity changes MIPS coarsening. We introduce disorder in two ways, as a quenched random force field acting on particle positions and as a quenched random torque field acting on their orientations. Both destroy Lifshitz-Slyozov growth. A transient power law with a disorder-dependent exponent gives way to activated dynamics in which the effective dynamic exponent grows without bound and domains grow at most logarithmically. The crossover obeys the scaling form known from the random-field Ising model, and the domain morphology depends on disorder strength, so superuniversality fails. The two kinds of disorder act through different mechanisms. Random forces trap particles in the sinks of a random drift field once the drift beats self-propulsion. Random torques act as a sign-random, quenched chirality that erodes persistence and lowers the local Péclet number toward its critical value. Our results show that quenched disorder is a relevant perturbation for the kinetics of active phase separation and connect MIPS coarsening to the physics of pinned interfaces in disordered magnets.

Monodisperse, purely repulsive, hard spheres (MPRHS) are an important model system for mechanistically exploring phase behavior in atomic systems and colloids. Since the 1940s, phase transitions in these systems have been obtained via simulation, theory, and experiments. But there is a gap in this literature: despite decades of reports of phase transition from one pure state to another, no computational studies report spontaneous phase separation into coexisting domains of liquid and crystal regions. This gap owes its origin to the underlying mechanism of entropically-driven phase separation in MPRHS - the competition between short-range entropy and long-range entropy. Frenkel proposed that spontaneous phase separation in simulations of up to 1,000,000 particles would require more than 317,000,000 years to sample enough microstates to converge to phase separated macrostate. Some brute-force simulations do show brief spontaneous coexistence but a metastable crystal or fluid subsequently overtakes the system. To bypass these difficulties, many studies use seeding, gravity, or direct construction of liquid and solid phases to study interfacial energy and nucleation rates of MPRHS systems. WCA potentials have also been used to bypass metastability, where softness provides free volume, lowers osmotic pressure and the energy barrier. It is argued that the transition path taken in bypassing metastability is mechanistically the same as without triggers. But as acknowledged by Alder & Wainwright, explicit observation of spontaneous coexistence is central to computational prediction of first-order transition. Such observation would provide satisfying demonstration of Frenkel's entropy exchange mechanism. We explore literature revealing these interesting behaviors and conclude that computational demonstration of Frenkel's mechanism for MPRHS awaits large systems with careful hardness perturbations.

The sampling of probability distributions specified up to a normalization constant is an important problem in both machine learning and statistical mechanics. While classical stochastic sampling methods such as Markov Chain Monte Carlo (MCMC) or Langevin Dynamics (LD) can suffer from slow mixing times there is a growing interest in using normalizing flows in order to learn the transformation of a simple prior distribution to the given target distribution. Here we propose a generalized and combined approach to sample target densities: Stochastic Normalizing Flows (SNF) -- an arbitrary sequence of deterministic invertible functions and stochastic sampling blocks. We show that stochasticity overcomes expressivity limitations of normalizing flows resulting from the invertibility constraint, whereas trainable transformations between sampling steps improve efficiency of pure MCMC/LD along the flow. By invoking ideas from non-equilibrium statistical mechanics we derive an efficient training procedure by which both the sampler's and the flow's parameters can be optimized end-to-end, and by which we can compute exact importance weights without having to marginalize out the randomness of the stochastic blocks. We illustrate the representational power, sampling efficiency and asymptotic correctness of SNFs on several benchmarks including applications to sampling molecular systems in equilibrium.

We study the dynamics of Stochastic Gradient Descent (SGD), which is known to steer deep neural networks toward invariant sets that correspond to simpler subnetworks. How this steering unfolds over time remains poorly understood. We answer this by modeling the stochastic gradient flow (SGF) as a percolation process, in which architectural symmetries force subnetworks to merge in discrete simultaneous blocks rather than one at a time. These structural transitions register as variance spikes in a macroscopic order parameter, echoing physical phase transitions. We further show this trapping mechanism and its associated scaling cascade extend to Adam and AdamW under an explicit heavy-tailed noise model.

We present dla-ideal-solver, a high-performance framework for simulating two-dimensional Diffusion-Limited Aggregation (DLA) using Numba-accelerated Python. By leveraging just-in-time (JIT) compilation, we achieve computational throughput comparable to legacy static implementations while retaining high-level flexibility. We investigate the Laplacian growth instability across varying injection geometries and walker concentrations. Our analysis confirms the robustness of the standard fractal dimension D_f approx 1.71 for dilute regimes, consistent with the Witten-Sander universality class. However, we report a distinct crossover to Eden-like compact growth (D_f approx 1.87) in high-density environments, attributed to the saturation of the screening length. Beyond standard mass-radius scaling, we employ generalized Rényi dimensions and lacunarity metrics to quantify the monofractal character and spatial heterogeneity of the aggregates. This work establishes a reproducible, open-source testbed for exploring phase transitions in non-equilibrium statistical mechanics.

We study in detail a one-dimensional lattice model of a continuum, conserved field (mass) that is transferred deterministically between neighbouring random sites. The model falls in a wider class of lattice models capturing the joint effect of random advection and diffusion and encompassing as specific cases, some models studied in the literature, like the Kang-Redner, Kipnis-Marchioro-Presutti, Takayasu-Taguchi, etc. The motivation for our setup comes from a straightforward interpretation as advection of particles in one-dimensional turbulence, but it is also related to a problem of synchronization of dynamical systems driven by common noise. For finite lattices, we study both the coalescence of an initially spread field (interpreted as roughening), and the statistical steady-state properties. We distinguish two main size-dependent regimes, depending on the strength of the diffusion term and on the lattice size. Using numerical simulations and mean-field approach, we study the statistics of the field. For weak diffusion, we unveil a characteristic hierarchical structure of the field. We also connect the model and the iterated function systems concept.

Understanding the training dynamics of deep neural networks remains a major open problem, with physics-inspired approaches offering promising insights. Building on this perspective, we develop a thermodynamic framework to describe the stationary distributions of stochastic gradient descent (SGD) with weight decay for scale-invariant neural networks, a setting that both reflects practical architectures with normalization layers and permits theoretical analysis. We establish analogies between training hyperparameters (e.g., learning rate, weight decay) and thermodynamic variables such as temperature, pressure, and volume. Starting with a simplified isotropic noise model, we uncover a close correspondence between SGD dynamics and ideal gas behavior, validated through theory and simulation. Extending to training of neural networks, we show that key predictions of the framework, including the behavior of stationary entropy, align closely with experimental observations. This framework provides a principled foundation for interpreting training dynamics and may guide future work on hyperparameter tuning and the design of learning rate schedulers.

A droplet impacting a deep fluid bath is as common as rain over the ocean. If the impact is sufficiently gentle, the mediating air layer remains intact, and the droplet may rebound completely from the interface. In this work, we experimentally investigate the role of translational bath motion on the bouncing to coalescence transition. Over a range of parameters, we find that the relative bath motion systematically decreases the normal Weber number required to transition from bouncing to merging. Direct numerical simulations demonstrate that the depression created during impact combined with the translational motion of the bath enhances the air layer drainage on the upstream side of the droplet, ultimately favoring coalescence. A simple geometric argument is presented that rationalizes the collapse of the experimental threshold data, extending what is known for the case of axisymmetric normal impacts to the more general 3D scenario of interest herein.

Surface bubbles are an abundant source of aerosols, with important implications for climate processes. In this context, we investigate the stability and thinning dynamics of soap films under effective gravity fields. Experiments are performed using a centrifugal thin-film balance capable of generating accelerations from 0.2 up to 100 times standard gravity, combined with thin-film interferometry to obtain time-resolved thickness maps. Across all experimental conditions, the drainage dynamics are shown to be governed by capillary suction and marginal regeneration-a mechanism in which thick regions of the film are continuously replaced by thin film elements (TFEs) formed at the meniscus. We consistently recover a thickness ratio of 0.8 - 0.9 between the TFEs and the adjacent film, in agreement with previous observations under standard gravity. The measured thinning rates also follow the predicted scaling laws. We identified that gravity has three distinct effects: (i) it induces a strong stretching of the initial film, extending well beyond the linear-elastic regime; (ii) it controls the meniscus size, and thereby the amplitude of the capillary suction and the drainage rate; and (iii) it reveals an inertia-to-viscous transition in the motion of TFEs within the film. These results are supported by theoretical modeling and highlight the robustness of marginal regeneration and capillary-driven drainage under extreme gravity conditions.

In the field of phase change phenomena, the lack of accessible and diverse datasets suitable for machine learning (ML) training poses a significant challenge. Existing experimental datasets are often restricted, with limited availability and sparse ground truth data, impeding our understanding of this complex multiphysics phenomena. To bridge this gap, we present the BubbleML Dataset \label{git_datasethttps://github.com/HPCForge/BubbleML} which leverages physics-driven simulations to provide accurate ground truth information for various boiling scenarios, encompassing nucleate pool boiling, flow boiling, and sub-cooled boiling. This extensive dataset covers a wide range of parameters, including varying gravity conditions, flow rates, sub-cooling levels, and wall superheat, comprising 79 simulations. BubbleML is validated against experimental observations and trends, establishing it as an invaluable resource for ML research. Furthermore, we showcase its potential to facilitate exploration of diverse downstream tasks by introducing two benchmarks: (a) optical flow analysis to capture bubble dynamics, and (b) operator networks for learning temperature dynamics. The BubbleML dataset and its benchmarks serve as a catalyst for advancements in ML-driven research on multiphysics phase change phenomena, enabling the development and comparison of state-of-the-art techniques and models.

Score-based diffusion models generate samples from an unknown target distribution using a time-reversed diffusion process. While such models represent state-of-the-art approaches in industrial applications such as artificial image generation, it has recently been noted that their performance can be further improved by considering injection noise with heavy tailed characteristics. Here, I present a generalization of generative diffusion processes to a wide class of non-Gaussian noise processes. I consider forward processes driven by standard Gaussian noise with super-imposed Poisson jumps representing a finite activity Levy process. The generative process is shown to be governed by a generalized score function that depends on the jump amplitude distribution and can be estimated by minimizing a simple MSE loss as in conventional Gaussian models. Both probability flow ODE and SDE formulations are derived using basic technical effort. A detailed implementation for a pure jump process with Laplace distributed amplitudes yields a generalized score function in closed analytical form and is shown to outperform the equivalent Gaussian model in specific parameter regimes.

A class of generative models that unifies flow-based and diffusion-based methods is introduced. These models extend the framework proposed in Albergo & Vanden-Eijnden (2023), enabling the use of a broad class of continuous-time stochastic processes called `stochastic interpolants' to bridge any two arbitrary probability density functions exactly in finite time. These interpolants are built by combining data from the two prescribed densities with an additional latent variable that shapes the bridge in a flexible way. The time-dependent probability density function of the stochastic interpolant is shown to satisfy a first-order transport equation as well as a family of forward and backward Fokker-Planck equations with tunable diffusion coefficient. Upon consideration of the time evolution of an individual sample, this viewpoint immediately leads to both deterministic and stochastic generative models based on probability flow equations or stochastic differential equations with an adjustable level of noise. The drift coefficients entering these models are time-dependent velocity fields characterized as the unique minimizers of simple quadratic objective functions, one of which is a new objective for the score of the interpolant density. We show that minimization of these quadratic objectives leads to control of the likelihood for generative models built upon stochastic dynamics, while likelihood control for deterministic dynamics is more stringent. We also discuss connections with other methods such as score-based diffusion models, stochastic localization processes, probabilistic denoising techniques, and rectifying flows. In addition, we demonstrate that stochastic interpolants recover the Schr\"odinger bridge between the two target densities when explicitly optimizing over the interpolant. Finally, algorithmic aspects are discussed and the approach is illustrated on numerical examples.

We show how to extract from a sufficiently long time series of stationary fluctuations of chemical reactions an estimate of the entropy production. This method, which is based on recent work on fluctuation theorems, is direct, non-invasive, does not require any knowledge about the underlying dynamics, and is applicable even when only partial information is available. We apply it to simple stochastic models of chemical reactions involving a finite number of states, and for this case, we study how the estimate of dissipation is affected by the degree of coarse-graining present in the input data.

Stochastic processes have found numerous applications in science, as they are broadly used to model a variety of natural phenomena. Due to their intrinsic randomness and uncertainty, they are however difficult to characterize. Here, we introduce an unsupervised machine learning approach to determine the minimal set of parameters required to effectively describe the dynamics of a stochastic process. Our method builds upon an extended beta-variational autoencoder architecture. By means of simulated datasets corresponding to paradigmatic diffusion models, we showcase its effectiveness in extracting the minimal relevant parameters that accurately describe these dynamics. Furthermore, the method enables the generation of new trajectories that faithfully replicate the expected stochastic behavior. Overall, our approach enables for the autonomous discovery of unknown parameters describing stochastic processes, hence enhancing our comprehension of complex phenomena across various fields.

While 3D Gaussian Splatting has recently become popular for neural rendering, current methods rely on carefully engineered cloning and splitting strategies for placing Gaussians, which can lead to poor-quality renderings, and reliance on a good initialization. In this work, we rethink the set of 3D Gaussians as a random sample drawn from an underlying probability distribution describing the physical representation of the scene-in other words, Markov Chain Monte Carlo (MCMC) samples. Under this view, we show that the 3D Gaussian updates can be converted as Stochastic Gradient Langevin Dynamics (SGLD) updates by simply introducing noise. We then rewrite the densification and pruning strategies in 3D Gaussian Splatting as simply a deterministic state transition of MCMC samples, removing these heuristics from the framework. To do so, we revise the 'cloning' of Gaussians into a relocalization scheme that approximately preserves sample probability. To encourage efficient use of Gaussians, we introduce a regularizer that promotes the removal of unused Gaussians. On various standard evaluation scenes, we show that our method provides improved rendering quality, easy control over the number of Gaussians, and robustness to initialization.

Repeated impacts of a droplet on a vertically forced bath can produce a growing Faraday-wave response under forcing conditions for which the corresponding initially undisturbed bath remains linearly stable. We investigate this mechanism using axisymmetric two-phase direct numerical simulations over a wide range of Reynolds and Weber numbers. The resulting phenomenological regime map identifies quasi-periodic, decaying, faint, and unstable-bath responses. Along the parameter path considered here, the transition to the unstable-bath regime occurs over a narrow range of Weber numbers and varies only weakly with Reynolds number. In the unstable regime, the bath develops a coherent subharmonic response at half the forcing frequency, while disturbances in the decaying regime remain broadband and weaken between successive rebounds. Bath-only simulations show that a finite-amplitude perturbation representative of droplet impact can seed the confined radial mode susceptible to parametric forcing, initiating a growing subharmonic response below the linear instability threshold of the initially flat bath. A reduced capillary-dominated model provides a scaling estimate for the impact-equivalent perturbation amplitude, and bath-only simulations initialized with these perturbations reproduce the bounded-to-growing transition observed in the coupled simulations. Floquet analysis of the finite cylindrical bath identifies the first axisymmetric Neumann mode as having the lowest subharmonic instability threshold. A time-resolved Bessel decomposition independently shows that the growing bath response is dominated by the same radial mode, while the droplet-induced subharmonic response projects predominantly onto this structure. These results identify a finite-amplitude route by which localized droplet impacts can access Faraday-wave dynamics below the linear onset threshold of an initially undisturbed bath.

The Rayleigh-Plateau instability predicts that infinitesimal perturbations of a liquid jet grow only for kR < 1, with kR = 1 marking the classical stability boundary. Here, we show that femtosecond-laser-induced cavitation generates a localized, impulsive recoil perturbation on a flowing liquid jet, enabling a two-dimensional map of jet breakup across the (kR, epsilon/R) plane. The perturbation's spacing (wavelength) and strength (amplitude) are set independently by the laser repetition rate and pulse energy, respectively. At low amplitudes, tuning the repetition rate recovers the classical Rayleigh-Plateau dispersion relation and its kR = 1 cutoff, while increasing the wavelength enables controlled generation of monodisperse droplet trains, bidisperse droplet populations, and ultimately isolated single droplets. Along the amplitude axis, low pulse energies produce a seed that amplifies only the imposed wavenumber, whereas above a critical energy Ec, the seed broadens to excite many wavenumbers simultaneously. At still higher amplitudes, we demonstrate deterministic breakup for kR > 1, extending to kR = 1.9, with laser-synchronized droplet production rates up to 0.2 MHz. These results establish localized femtosecond-laser-induced cavitation as a route to controlled Rayleigh-Plateau breakup both within and beyond the classical linear-stability boundary.

Uncovering the rules governing the nonequilibrium dynamics of the membranes that define biological cells is of central importance to understanding the physics of living systems. We theoretically and computationally investigate the behavior of flexible quasispherical vesicles that exchange membrane constituents, internal volume, and heat with an external reservoir. The excess chemical potential and osmotic pressure difference imposed by the reservoir act as generalized thermodynamic driving forces that modulate vesicle morphology. We show that the renormalization of membrane mechanical properties by nonequilibrium driving gives rise to a morphological transition between a weakly driven regime, in which growing vesicles remain quasispherical, and a strongly driven regime, in which vesicles accommodate rapid membrane uptake by developing surface wrinkles. Additionally, we propose a minimal vesicle growth-shape law, derived using insights from stochastic thermodynamics, that robustly describes vesicle growth dynamics even in strongly driven, far-from-equilibrium regimes.

The aim of this paper is to present an elementary computable theory of probability, random variables and stochastic processes. The probability theory is baed on existing approaches using valuations and lower integrals. Various approaches to random variables are discussed, including the approach based on completions in a Polish space. We apply the theory to the study of stochastic dynamical systems in discrete-time, and give a brief exposition of the Wiener process as a foundation for stochastic differential equations. The theory is based within the framework of type-two effectivity, so has an explicit direct link with Turing computation, and is expressed in a system of computable types and operations, so has a clean mathematical description.

Chemical reaction networks can undergo nonequilibrium phase transitions upon variation of external control parameters like the chemical potential of a species. We investigate the flux in the associated chemostats that is proportional to the entropy production and its critical fluctuations within the Schlögl model. Numerical simulations show that the corresponding diffusion coefficient diverges at the critical point as a function of system size. In the vicinity of the critical point, the diffusion coefficient follows a scaling form. We develop an analytical approach based on the chemical Langevin equation and van Kampen's system size expansion that yields the corresponding exponents in the monostable regime. In the bistable regime, we rely on a two-state approximation in order to analytically describe the critical behavior.

We develop analytical and particle-based methods for uncertainty propagation in random neural network models, where both the inputs and network parameters are allowed to be random. Building on the piecewise-linear structure of the Leaky ReLU activation function, we derive a local approximation of the neural network output with respect to perturbations in both its inputs and parameters. This approximation is exact for perturbations that preserve the network activation pattern, and it allows us to compute analytical expressions for the probability density function and characteristic function of the network output, together with closed-form approximations for its mean and covariance. We extend this uncertainty propagation framework to autonomous dynamical systems whose one-step evolution map is represented by a random neural network. Repeated application of this map defines an autoregressive model, for which we derive recursive equations to propagate uncertainty in both the state and network parameters over time. These equations explicitly account for the state-parameter cross-covariance that develops under successive iterations of the network. Numerical experiments on the Lorenz-63 system and the Kuramoto-Sivashinsky equation demonstrate accurate uncertainty propagation through the predictability horizon and the applicability of the proposed framework to high-dimensional dynamical systems.

We show that the Turing complete rule 110 in elementary cellular automata can be emulated by alternating three simple symmetric rules in space. As the constituent rules themselves are trivial, this shows that diversity alone can generate emergent phenomena. The rules cannot distinguish left from right, and the chirality of rule 110 is created by their arrangement. Random initial conditions lock on to rule 110 over 90% of the time, explained through the motion of domain walls between desynchronized regions. Adding random noise creates errors that seed domain walls, whose fraction scales with the square root of noise strength, explained through a simple rate equation. This points to a route to complexity through repeated, perturbed units, common in biology, and shows that in cellular automaton models of quantum field theory, broken symmetries such as parity need not be present in the local rules.

We present a probabilistic model for point cloud generation, which is fundamental for various 3D vision tasks such as shape completion, upsampling, synthesis and data augmentation. Inspired by the diffusion process in non-equilibrium thermodynamics, we view points in point clouds as particles in a thermodynamic system in contact with a heat bath, which diffuse from the original distribution to a noise distribution. Point cloud generation thus amounts to learning the reverse diffusion process that transforms the noise distribution to the distribution of a desired shape. Specifically, we propose to model the reverse diffusion process for point clouds as a Markov chain conditioned on certain shape latent. We derive the variational bound in closed form for training and provide implementations of the model. Experimental results demonstrate that our model achieves competitive performance in point cloud generation and auto-encoding. The code is available at https://github.com/luost26/diffusion-point-cloud.

We develop a framework for non-asymptotic analysis of deterministic samplers used for diffusion generative modeling. Several recent works have analyzed stochastic samplers using tools like Girsanov's theorem and a chain rule variant of the interpolation argument. Unfortunately, these techniques give vacuous bounds when applied to deterministic samplers. We give a new operational interpretation for deterministic sampling by showing that one step along the probability flow ODE can be expressed as two steps: 1) a restoration step that runs gradient ascent on the conditional log-likelihood at some infinitesimally previous time, and 2) a degradation step that runs the forward process using noise pointing back towards the current iterate. This perspective allows us to extend denoising diffusion implicit models to general, non-linear forward processes. We then develop the first polynomial convergence bounds for these samplers under mild conditions on the data distribution.

A control technique is developed via Reinforcement Learning that allows arbitrary controlling of the position of an acoustic cavitation bubble in a dual-frequency standing acoustic wave field. The agent must choose the optimal pressure amplitude values to manipulate the bubble position in the range of x/lambda_0in[0.05, 0.25]. To train the agent an actor-critic off-policy algorithm (Deep Deterministic Policy Gradient) was used that supports continuous action space, which allows setting the pressure amplitude values continuously within 0 and 1, bar. A shaped reward function is formulated that minimizes the distance between the bubble and the target position and implicitly encourages the agent to perform the position control within the shortest amount of time. In some cases, the optimal control can be 7 times faster than the solution expected from the linear theory.

Synchronization in one dimension displays generic scale invariance with universal properties previously observed in surface kinetic roughening and the wider context of the Kardar-Parisi-Zhang (KPZ) universality class. This has been established for phase oscillators and also for some limit-cycle oscillators, both in the presence of columnar (quenched) disorder and of time-dependent noise, by extensive numerical simulations, and has been analytically motivated by continuum approximations in the strong oscillator coupling limit. The robustness and the precise boundaries in parameter space for such critical behavior remain unclear, however, which may preclude further developments, including the extension of these results to higher dimensions and the experimental observation of nonequilibrium criticality in synchronizing (e.g.~electronic or chemical) oscillators. We here present complete numerical phase diagrams of one-dimensional synchronization, including saturation times and values, but, most importantly, also dynamical features giving insight into the gradual emergence of synchronous dynamics, based on systems of phase oscillators with either type of randomness. In the absence of synchronization, the dynamics evolves as expected for random deposition (for time-dependent noise) or linear growth (for columnar disorder), while a crossover from Edwards-Wilkinson to Kardar-Parisi-Zhang behavior (with the corresponding type of randomness) is observed as the randomness strength, or the nonoddity of the coupling among oscillators, is increased in the synchronous region -- their combined effect being partially captured by the so-called KPZ coupling. The distortion of scaling due to phase slips near the desynchronization boundary, a feature that is likely to play a role in experimental contexts, is also discussed.

We study uncertainty quantification for partial differential equations subject to domain uncertainty. We parameterize the random domain using the model recently considered by Chernov and Le (2024) as well as Harbrecht, Schmidlin, and Schwab (2024) in which the input random field is assumed to belong to a Gevrey smoothness class. This approach has the advantage of being substantially more general than models which assume a particular parametric representation of the input random field such as a Karhunen-Loeve series expansion. We consider both the Poisson equation as well as the heat equation and design randomly shifted lattice quasi-Monte Carlo (QMC) cubature rules for the computation of the expected solution under domain uncertainty. We show that these QMC rules exhibit dimension-independent, essentially linear cubature convergence rates in this framework. In addition, we complete the error analysis by taking into account the approximation errors incurred by dimension truncation of the random input field and finite element discretization. Numerical experiments are presented to confirm the theoretical rates.

Entropically driven fluid-solid transitions in monodisperse, purely repulsive hard spheres (MPRHS) are well established in theory, simulation, and experiment for atomic and colloidal systems. For MPRHS, however, coexistence is usually located via bulk free-energy calculations; the underlying microscopic balance between configurational and vibrational entropy is left implicit. Frenkel clarified this mechanism explicitly as an exchange of long-range configurational entropy for short-range vibrational entropy, but in the pristine MPRHS limit the nucleation barrier near coexistence is so high that phase separation is predicted only on astronomical time scales. Consistent with this, even unbiased simulations do not show spontaneous, equilibrium fluid-crystal coexistence; transient mixtures are mostly overtaken by a single phase; observed coexistence is still algorithmically-driven. Nearly hard-sphere colloid experiments do observe fluid-crystal coexistence, but always in the presence of unavoidable triggers such as gravity, walls, and polydispersity. We treat the hard-sphere phase diagram as settled and ask how the entropic exchange mechanism can be revealed in nearly hard-sphere colloidal simulations. We probe the mechanism on finite time scales by introducing minimal perturbations that trigger phase separation: small reductions in hardness that increase locally accessible free volume (and thus gently increase vibrational entropy), and 2-4% distributed crystal seeds. These perturbations produce coexisting fluid and crystal domains with crystal fraction, phase envelope and osmotic pressure that, with systematically increasing particle hardness, approach the hard-sphere limit. These results demonstrate that slight enhancements to vibrational entropy provide a dynamically accessible route to realizing the long-range/short-range entropy exchange required for phase separation.

Flow and diffusion models generate high-quality samples in many modalities; however, many network evaluations are required during inference due to numerical integration of an underlying differential equation. Flow maps alleviate this problem by learning the solution map of the differential equation directly, enabling few-step sampling. Yet, current methods are restricted to approximating the solution map of ODEs. These methods can be used to learn the transition kernel of an SDE, thereby obtaining a solution map that recovers the marginal distributions of the process (weak convergence) rather than the solution path (strong convergence). We propose Strong Stochastic Flow Maps (SSFMs) as a novel framework for learning the strong solution map of additive-noise SDEs, directly generalizing deterministic flow maps to the stochastic setting. Further, a polynomial approximation to Brownian motion is introduced and shown to converge pathwise. These results enable a simulation-free training objective for the solution map of diffusion models. We demonstrate that SSFMs outperform previous stochastic flow map methods on image generation and enable few-step sampling of molecular systems.

This paper studies the properties of the Multiply Iterated Poisson Process (MIPP), a stochastic process constructed by repeatedly time-changing a Poisson process, and its applications in ruin theory. Like standard Poisson processes, MIPPs have exponentially distributed sojourn times (waiting times between jumps). We explicitly derive the probabilities of all possible jump sizes at the first jump and obtain the Laplace transform of the joint distribution of the first jump time and its corresponding jump size. In ruin theory, the classical Cramér-Lundberg model assumes that claims arrive independently according to a Poisson process. In contrast, our model employs an MIPP to allow for clustered arrivals, reflecting real-world scenarios, such as catastrophic events. Under this new framework, we derive the corresponding scale function in closed form, facilitating accurate calculations of the probability of ruin in the presence of clustered claims. These results improve the modeling of extreme risks and have practical implications for insurance solvency assessments, reinsurance pricing, and capital reserve estimation.

In this paper we consider a particular class of solutions of the Rayleigh-Boltzmann equation, known in the nonlinear setting as homoenergetic solutions, which have the form gleft( x,v,t right) =fleft( v-Lleft( tright)x,tright) where the matrix L(t) describes a shear flow deformation. We began this analysis in [22] where we rigorously proved the existence of a stationary non-equilibrium solution and established the different behaviour of the solutions for small and large values of the shear parameter, for cut-off collision kernels with homogeneity parameter 0leq gamma <1, including Maxwell molecules and hard potentials. In this paper, we concentrate in the case where the deformation term dominates the collision term for large times (hyperbolic-dominated regime). This occurs for collision kernels with gamma < 0 and in particular we focus on gamma in (-1,0). In such a hyperbolic-dominated regime, it appears challenging to provide a clear description of the long-term asymptotics of the solutions. Here we present a formal analysis of the long-time asymptotics for the distribution of velocities and provide the explicit form for the asymptotic profile. Additionally, we discuss the different asymptotic behaviour expected in the case of homogeneity gamma < -1. Furthermore, we provide a probabilistic interpretation describing a stochastic process consisting in a combination of collisions and shear flows. The tagged particle velocity {v(t)}_{tgeq 0} is a Markov process that arises from the combination of free flights in a shear flow along with random jumps caused by collisions.

Diffusion models have recently been increasingly applied to temporal data such as video, fluid mechanics simulations, or climate data. These methods generally treat subsequent frames equally regarding the amount of noise in the diffusion process. This paper explores Rolling Diffusion: a new approach that uses a sliding window denoising process. It ensures that the diffusion process progressively corrupts through time by assigning more noise to frames that appear later in a sequence, reflecting greater uncertainty about the future as the generation process unfolds. Empirically, we show that when the temporal dynamics are complex, Rolling Diffusion is superior to standard diffusion. In particular, this result is demonstrated in a video prediction task using the Kinetics-600 video dataset and in a chaotic fluid dynamics forecasting experiment.

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.

We present a stochastic coupled emulator of E3SM version 3, built on the SamudrACE framework, which couples an atmosphere emulator (ACE2) with a full-depth ocean emulator (Samudra). We replace the deterministic atmosphere emulator with its stochastic counterpart, ACE2S, and fine-tune the coupled system with a probabilistic objective, so that the atmosphere acts as a source of internal variability for the ocean. Trained on 105 years of a pre-industrial control simulation and evaluated on an independent 400 years, the emulator reproduces E3SMv3's mean climate state with biases much smaller than existing model-to-observation differences. Relative to a deterministic baseline, stochastic training maintains internal variability across timescales, most notably in the ENSO power spectrum, eddy-rich SST anomalies, and sea ice variability in the marginal ice zone. The emulator captures daily precipitation accurately up to the 99.99th percentile, but underestimates the rarest tropical extremes. These results show that stochastic coupled emulators can reproduce long-timescale variability with high fidelity, while extrapolation to unseen extremes remains a key challenge.

We revisit the problem of sampling from a target distribution that has a smooth strongly log-concave density everywhere in mathbb R^p. In this context, if no additional density information is available, the randomized midpoint discretization for the kinetic Langevin diffusion is known to be the most scalable method in high dimensions with large condition numbers. Our main result is a nonasymptotic and easy to compute upper bound on the Wasserstein-2 error of this method. To provide a more thorough explanation of our method for establishing the computable upper bound, we conduct an analysis of the midpoint discretization for the vanilla Langevin process. This analysis helps to clarify the underlying principles and provides valuable insights that we use to establish an improved upper bound for the kinetic Langevin process with the midpoint discretization. Furthermore, by applying these techniques we establish new guarantees for the kinetic Langevin process with Euler discretization, which have a better dependence on the condition number than existing upper bounds.

Markov jump processes are continuous-time stochastic processes which describe dynamical systems evolving in discrete state spaces. These processes find wide application in the natural sciences and machine learning, but their inference is known to be far from trivial. In this work we introduce a methodology for zero-shot inference of Markov jump processes (MJPs), on bounded state spaces, from noisy and sparse observations, which consists of two components. First, a broad probability distribution over families of MJPs, as well as over possible observation times and noise mechanisms, with which we simulate a synthetic dataset of hidden MJPs and their noisy observation process. Second, a neural network model that processes subsets of the simulated observations, and that is trained to output the initial condition and rate matrix of the target MJP in a supervised way. We empirically demonstrate that one and the same (pretrained) model can infer, in a zero-shot fashion, hidden MJPs evolving in state spaces of different dimensionalities. Specifically, we infer MJPs which describe (i) discrete flashing ratchet systems, which are a type of Brownian motors, and the conformational dynamics in (ii) molecular simulations, (iii) experimental ion channel data and (iv) simple protein folding models. What is more, we show that our model performs on par with state-of-the-art models which are finetuned to the target datasets.

We study the hardmax limit of self-attention dynamics for token embeddings obtained in the zero-temperature (βto+infty) regime, and relate it to the finite-β setting. In this limit, the update rule can be viewed as a Frank-Wolfe step for a quadratic objective over the convex hull of the current token embeddings. When the key-query matrix is negative semidefinite, the method linearly contracts all tokens to a single cluster at the origin. When it is positive semidefinite, extending the hardmax rule to the entire convex hull induces a Voronoi diagram: vertices are stationary, interior points remain in their initial cells, and each token moves along a straight line toward its cell's vertex, yielding (super-)exponential convergence. As a byproduct, we also establish well-posedness of the associated ODE limit in this regime. Returning to the finite-β regime, we model self-attention dynamics as a Markov chain and prove dynamic metastability: with high probability, interior tokens reach near-vertex configurations in a constant number of steps and remain within a small neighborhood for times that grow exponentially in the inverse temperature β, before ultimately collapsing to the origin. Thus, the hardmax dynamics accurately approximate the finite-β process over exponentially long time horizons.

We investigate diffusion approximations for a class of multivariate inhomogeneous finite-velocity random motions motivated by models of active particles. A particle alternates cyclically among prescribed velocity fields V_1,dots,V_p with random run times and evolves according to either a flight dynamics, consisting of piecewise-linear motion, or a gliding dynamics, in which the particle follows the corresponding velocity flow. Under a Kac-type scaling that couples vanishing run times with diverging particle speed, we prove weak convergence of both processes to multidimensional diffusions. It turns out that the order of successive cyclic motions affects the diffusion limit. In addition to the second-order term generated by fluctuations of the random run times, the limiting drift contains directional derivatives DV_i[V_j] of the underlying vector fields. In Stratonovich form, part of this drift is expressed through their Lie brackets [V_i,V_j]. Thus, the generic non-commutativity of the microscopic motions survives the diffusive scaling and generates a macroscopic drift which depends on the cyclic order. The limiting drift also distinguishes the flight and gliding dynamics, despite their being driven by the same vector fields and run times. Several examples, including run-and-reverse motion and cyclic dynamics generated by multiple vector fields, illustrate how the cyclic switching protocol and the geometry of the underlying velocity fields shape the limiting diffusions.

The active Brownian particle (ABP) model is one of the most widely used particle-based models in studies of scalar active fluids. A collection of interacting ABPs is known to exhibit intriguing phenomena that are absent in equilibrium counterparts. A prominent example is spontaneous phase separation, known as motility-induced phase separation (MIPS), which occurs even in the absence of explicit attractive interactions. In parallel, the large-scale behavior of scalar active fluids is often modeled using continuum descriptions, namely, scalar field theories. Such scalar active field theories are usually formulated in a top-down manner, and establishing their connections to particle-based models remains challenging, with these connections not yet fully understood. To advance the microscopic derivation of scalar active field theories, we revisit the connection between ABPs interacting via a two-body potential in two dimensions and scalar field theories that include all possible terms up to fourth order in spatial gradients. Our approach is based on a pressure expansion and the renormalization group (RG) method in the context of singular perturbation theory. The RG method provides a systematic way to eliminate fast variables and identify the dynamics on the slow invariant manifold. Within this framework, scalar field theories can be obtained as RG flow equations. We also apply this method to a chiral variant of the ABP model, the chiral ABP (cABP) model, in which a constant torque biases particle rotation to the left or right. We show that the scalar field theory corresponding to the cABP model contains two ``odd'' terms in addition to those present in the scalar field theory for ABPs. The method developed here may also be useful for deriving hydrodynamic descriptions of other types of active matter systems.

In this paper, we study the problem of sampling from a probability distribution using Langevin-type dynamics. We consider overdamped Langevin dynamics perturbed by adding a Stratonovich perturbation that preserves reversibility. We prove an optimal scaling for the Stratonovich perturbation applied to Gaussian target distributions and derive an algorithm to construct such perturbation. Our theoretical results are supplemented by numerical experiments in which we compare our proposed method with nonreversible samplers and overdamped Langevin dynamics. Our numerical experiments demonstrate the efficiency of the approach beyond the quadratic case.

Phenotypic plasticity, the ability of cells to switch between states, is central to development, differentiation, and therapy resistance. Although it is modeled at several scales, from compartmental ODEs to phenotype-structured PDEs and single-cell stochastic equations, a framework connecting these descriptions is missing. We present such a framework. Starting from a general n-compartment ODE model encompassing nonlinear growth and linear transitions between phenotypes, we show, with a new, elementary and generalizable proof of a recent theorem, that under uniform competition, the long-term population distribution is solely governed by transition rates. All phenotypes become selectively neutral at saturation, and the imprint of fitness differences during growth fades at an explicit rate. Restricting transitions to neighboring states transforms the model into a discretization of a phenotype-structured reaction-diffusion-advection PDE. In this continuum model, diffusion and advection are identified from switching rates, and fitness remains asymptotically irrelevant. Interpreting the advection velocity as the negative gradient of an effective epigenetic potential transforms the PDE into a Fokker--Planck equation and converts single-cell trajectories into stochastic gradient descent (SGD) in the Langevin sense on the phenotypic landscape. Non-local transitions, such as mutations, are incorporated via an integro-differential term, yielding a unified model with reaction, gradient flow, diffusion, and jumps. State-dependent noise reshapes the effective landscape without altering the underlying potential. This gives cancer a route to elevated plasticity that static, single-cell snapshots cannot distinguish from a changed landscape. This framework provides a physical interpretation of Waddington's landscape, where cells perform SGD, and cancer corresponds to a corrupted landscape.

Distributional Diffusion Models (DDMs) replace the standard mean-prediction denoiser with a distributional denoiser trained via a scoring rule objective, learning a stochastic approximation to p(x_1 mid x_t) rather than its conditional mean. However, scaling DDMs to modern image-generation settings faces two obstacles: (i) multi-particle training incurs overhead that scales with the number of particles, (ii) DDMs use globally fixed scoring rule hyperparameters, forcing a single trade-off across sampling budgets. We mitigate these limitations by deferring particle expansion to late transformer layers, and the hyperparameter trade-off by introducing time-dependent scoring rule schedules informed by the dynamical regimes of~Biroli2024. Combined with a DiT-based latent setup, these changes make DDM training practical on class-conditional ImageNet-256^2, achieving 4.48 FID at 4 steps and 2.38 at 50 steps with DiT-XL/2, from a single model trained from scratch in one stage, without a teacher, self-distillation or JVPs. The result is a stochastic few-step generator whose FID does not degrade as the sampling budget grows from 4 to 50 NFE, and the same recipe transfers to text-to-image generation. Code and pre-trained models available at https://github.com/CompVis/iDDM.

Neural network (NN) potentials promise highly accurate molecular dynamics (MD) simulations within the computational complexity of classical MD force fields. However, when applied outside their training domain, NN potential predictions can be inaccurate, increasing the need for Uncertainty Quantification (UQ). Bayesian modeling provides the mathematical framework for UQ, but classical Bayesian methods based on Markov chain Monte Carlo (MCMC) are computationally intractable for NN potentials. By training graph NN potentials for coarse-grained systems of liquid water and alanine dipeptide, we demonstrate here that scalable Bayesian UQ via stochastic gradient MCMC (SG-MCMC) yields reliable uncertainty estimates for MD observables. We show that cold posteriors can reduce the required training data size and that for reliable UQ, multiple Markov chains are needed. Additionally, we find that SG-MCMC and the Deep Ensemble method achieve comparable results, despite shorter training and less hyperparameter tuning of the latter. We show that both methods can capture aleatoric and epistemic uncertainty reliably, but not systematic uncertainty, which needs to be minimized by adequate modeling to obtain accurate credible intervals for MD observables. Our results represent a step towards accurate UQ that is of vital importance for trustworthy NN potential-based MD simulations required for decision-making in practice.

This paper develops a comprehensive theoretical framework that imports concepts from stochastic thermodynamics to model price impact and characterize the feasibility of round-trip arbitrage in financial markets. A trading cycle is treated as a non-equilibrium thermodynamic process, where price impact represents dissipative work and market noise plays the role of thermal fluctuations. The paper proves a Financial Second Law: under general convex impact functionals, any round-trip trading strategy yields non-positive expected profit. This structural constraint is complemented by a fluctuation theorem that bounds the probability of profitable cycles in terms of dissipated work and market volatility. The framework introduces a statistical ensemble of trading strategies governed by a Gibbs measure, leading to a free energy decomposition that connects expected cost, strategy entropy, and a market temperature parameter. The framework provides rigorous, testable inequalities linking microstructural impact to macroscopic no-arbitrage conditions, offering a novel physics-inspired perspective on market efficiency. The paper derives explicit analytical results for prototypical trading strategies and discusses empirical validation protocols.

High-dimensional count data are common in scientific applications, but most diffusion and flow models are designed for continuous or categorical data, and generation often requires many sequential model evaluations. We propose Count Flow Map, a generative model that learns finite-time transitions directly in count space for one- or few-step generation. Our model directly learns stochastic transitions over finite time intervals, using Poisson births and Binomial deaths to preserve nonnegative integer counts without a predefined maximum. These transition models are trained to match the underlying local birth--death dynamics and to maintain consistency across step sizes. We characterize the connection between local dynamics and finite-time transition consistency and derive a bound on the generation error. After validating Count Flow Map in several simulations, including a high-dimensional, high-count setting, we apply it to single-cell drug perturbation prediction and neural population forecasting, where it captures perturbation responses and supports forecasts of high-activity events with only one or a few model evaluations. Together, these experiments demonstrate that Count Flow Map enables high-quality generation directly in count space across inference budgets, from one-step to few-step generation, using a single trained model.

Predicting the relationship between surface charge density and electrostatic potential for spherical particles remains a fundamental challenge in colloid science. Because the governing non-linear Poisson--Boltzmann equation lacks a general exact analytical solution, researchers typically rely on numerical calculations or various semi-empirical approximations. In this paper, we overcome these limitations by developing a dual-asymptotic framework that provides explicit, closed-form expressions for this surface charge--potential relationship across the entire spectrum of particle curvature. For weakly curved systems, where the Debye length λ_D is much smaller than the particle radius R (λ_D/R ll 1), a formal mathematical derivation rigorously establishes the Ohshima--Healy--White formula as an exact regular perturbation expansion. Conversely, for highly curved spheres (R/λ_D ll 1), we employ singular perturbation analysis using the scaled particle radius as the small parameter. This approach provides a first-principles mathematical justification for the spherical Debye--Hückel theory, proving that its leading-order expansion remains asymptotically exact within the full non-linear Poisson--Boltzmann framework due to the geometric deactivation of non-linearity. Crucially, we map the exact limits of this geometric regulation, demonstrating how non-linear screening re-emerges as the particle radius increases, with the breakdown threshold governed by the interplay between curvature and surface charge density.

Stochastic rounding (SR) is a probabilistic method used to round numbers to floating-point and fixed-point representations. In length n summation, the worst-case error of SR grows as n with high probability, unlike for standard modes, like round-to-nearest (RN), which grows as n. For this reason, the former is increasingly employed in large-scale, low-precision computations as an RN alternative. Additionally, SR alleviates stagnation, whereby relatively small summands are completely rounded off and do not contribute to the sum. We provide an update to [Croci et al., Roy. Soc. Open Sci. 9.3 (2022), pp. 1-25], a survey which discusses the development and use of SR between 1949 and 2022, citing over 100 references. Since then, there has been a surge of new research, and this update covers almost four years of further progress in applying, analysing, and implementing SR. Our main focus is limited-precision stochastic rounding, a new variant that fixes the precision of the random numbers used. We provide insights into industrial and numerical analysis activities surrounding SR, highlighting the next possible steps in making this rounding mode more widely available in hardware.

We study a spectral regularization of the Dean--Kawasaki equation and quantify how the failure of positivity preservation affects its weak approximation of the empirical measure of independent Brownian particles. For initial densities bounded away from zero, we prove a uniform-in-time weak error measured through the Laplace transform and prove a superpolynomial convergence rate for smooth test functions. When the initial density is allowed to vanish, the negative part of the regularized solution leads to weaker upper bounds, and a one-dimensional example gives a lower error bound ruling out superpolynomial convergence. We also present numerical experiments that confirm the theoretical results and illustrate main observations.

Diffusion models may be formulated as a time-indexed sequence of energy-based models, where the score corresponds to the negative gradient of an energy function. As opposed to learning the score directly, an energy parameterization is attractive as the energy itself can be used to control generation via Monte Carlo samplers. Architectural constraints and training instability in energy parameterized models have so far yielded inferior performance compared to directly approximating the score or denoiser. We address these deficiencies by introducing a novel training regime for the energy function through distillation of pre-trained diffusion models, resembling a Helmholtz decomposition of the score vector field. We further showcase the synergies between energy and score by casting the diffusion sampling procedure as a Feynman Kac model where sampling is controlled using potentials from the learnt energy functions. The Feynman Kac model formalism enables composition and low temperature sampling through sequential Monte Carlo.

Recent work suggests that (stochastic) gradient descent self-organizes near an instability boundary, shaping both optimization and the solutions found. Momentum and mini-batch gradients are widely used in practical deep learning optimization, but it remains unclear whether they operate in a comparable regime of instability. We demonstrate that SGD with momentum exhibits an Edge of Stochastic Stability (EoSS)-like regime with batch-size-dependent behavior that cannot be explained by a single momentum-adjusted stability threshold. Batch Sharpness (the expected directional mini-batch curvature) stabilizes in two distinct regimes: at small batch sizes it converges to a lower plateau 2(1-β)/η, reflecting amplification of stochastic fluctuations by momentum and favoring flatter regions than vanilla SGD; at large batch sizes it converges to a higher plateau 2(1+β)/η, where momentum recovers its classical stabilizing effect and favors sharper regions consistent with full-batch dynamics. We further show that this aligns with linear stability thresholds and discuss the implications for hyperparameter tuning and coupling.

Machine-learning surrogates accelerate physical simulation, but lower prediction error need not coincide with lower error in physically relevant flow statistics. We examine this question for flow around a NACA4418 airfoil using paired computational-fluid-dynamics simulations and experimental particle-image-velocimetry measurements. A mean-preserving input intervention removes velocity fluctuations from selected regions of observed flow histories. Across four neural operators, removing fluctuations from the most energetic 10% of valid observed cells changes forecasts more than equal-area random removal. Because the masks are not matched for removed fluctuation energy, this contrast measures sensitivity, not independent evidence of physical importance. Separately, a CNO has lower velocity-field error but substantially higher two-component fluctuation-energy error than the reference on both analysis subsets. An output attenuation stress test also demonstrates disagreement between benchmark errors and domain-summed fluctuation energy. These single-benchmark results motivate reporting complementary physical diagnostics alongside aggregate prediction scores; they do not establish counterfactual physical correctness.

Diffusion models suffer from slow sample generation at inference time. Therefore, developing a principled framework for fast deterministic/stochastic sampling for a broader class of diffusion models is a promising direction. We propose two complementary frameworks for accelerating sample generation in pre-trained models: Conjugate Integrators and Splitting Integrators. Conjugate integrators generalize DDIM, mapping the reverse diffusion dynamics to a more amenable space for sampling. In contrast, splitting-based integrators, commonly used in molecular dynamics, reduce the numerical simulation error by cleverly alternating between numerical updates involving the data and auxiliary variables. After extensively studying these methods empirically and theoretically, we present a hybrid method that leads to the best-reported performance for diffusion models in augmented spaces. Applied to Phase Space Langevin Diffusion [Pandey & Mandt, 2023] on CIFAR-10, our deterministic and stochastic samplers achieve FID scores of 2.11 and 2.36 in only 100 network function evaluations (NFE) as compared to 2.57 and 2.63 for the best-performing baselines, respectively. Our code and model checkpoints will be made publicly available at https://github.com/mandt-lab/PSLD.

We study the large scale behavior of a collection of hard core run and tumble particles on a one dimensional lattice with periodic boundary conditions. Each particle has persistent motion in one direction decided by an associated spin variable until the direction of spin is reversed. We map the run and tumble model to a mass transfer model with fluctuating directed bonds. We calculate the steady state single site mass distribution in the mass model within a mean field approximation for larger spin-flip rates and by analyzing an appropriate coalescence fragmentation model for small spin-flip rates. We also calculate the hydrodynamic coefficients of diffusivity and conductivity for both large and small spin-flip rates and show that the Einstein relation is violated in both regimes. We also show how the non-gradient nature of the process can be taken into account in a systematic manner to calculate the hydrodynamic coefficients.

Expanding medium is very common in many different fields, such as biology and cosmology. It brings a nonnegligible influence on particle's diffusion, which is quite different from the effect of an external force field. The dynamic mechanism of particle's motion in expanding medium has only been investigated in the framework of continuous-time random walk. To focus on more diffusion processes and physical observables, we build the Langevin picture of anomalous diffusion in expanding medium, and conduct detailed analyses in the framework of Langevin equation. With the help of a subordinator, both subdiffusion process and superdiffusion process in expanding medium are discussed. We find that the expanding medium with different changing rate (exponential form and power-law form) leads to quite different diffusion phenomena. The particle's intrinsic diffusion behavior also plays an important role. Our detailed theoretical analyses and simulations present a panoramic view of investigating anomalous diffusion in expanding medium under the framework of Langevin equation.

Diffusion models, as a kind of powerful generative model, have given impressive results on image super-resolution (SR) tasks. However, due to the randomness introduced in the reverse process of diffusion models, the performances of diffusion-based SR models are fluctuating at every time of sampling, especially for samplers with few resampled steps. This inherent randomness of diffusion models results in ineffectiveness and instability, making it challenging for users to guarantee the quality of SR results. However, our work takes this randomness as an opportunity: fully analyzing and leveraging it leads to the construction of an effective plug-and-play sampling method that owns the potential to benefit a series of diffusion-based SR methods. More in detail, we propose to steadily sample high-quality SR images from pre-trained diffusion-based SR models by solving diffusion ordinary differential equations (diffusion ODEs) with optimal boundary conditions (BCs) and analyze the characteristics between the choices of BCs and their corresponding SR results. Our analysis shows the route to obtain an approximately optimal BC via an efficient exploration in the whole space. The quality of SR results sampled by the proposed method with fewer steps outperforms the quality of results sampled by current methods with randomness from the same pre-trained diffusion-based SR model, which means that our sampling method "boosts" current diffusion-based SR models without any additional training.

Generating samples from limited information is a fundamental problem across scientific domains. Classical maximum entropy methods provide principled uncertainty quantification from moment constraints but require sampling via MCMC or Langevin dynamics, which typically exhibit exponential slowdown in high dimensions. In contrast, generative models based on diffusion and flow matching efficiently transport noise to data but offer limited theoretical guarantees and can overfit when data is scarce. We introduce Moment Guided Diffusion (MGD), which combines elements of both approaches. Building on the stochastic interpolant framework, MGD samples maximum entropy distributions by solving a stochastic differential equation that guides moments toward prescribed values in finite time, thereby avoiding slow mixing in equilibrium-based methods. We formally obtain, in the large-volatility limit, convergence of MGD to the maximum entropy distribution and derive a tractable estimator of the resulting entropy computed directly from the dynamics. Applications to financial time series, turbulent flows, and cosmological fields using wavelet scattering moments yield estimates of negentropy for high-dimensional multiscale processes.

We introduce ensembles within score-based sampling methods to develop gradient-free approximate sampling techniques that leverage the collective dynamics of particle ensembles to compute approximate reverse diffusion drifts. We introduce the underlying methodology, emphasizing its relationship with generative diffusion models and the previously introduced F\"ollmer sampler. We demonstrate the efficacy of ensemble strategies through various examples, ranging from low- to medium-dimensionality sampling problems, including multi-modal and highly non-Gaussian probability distributions, and provide comparisons to traditional methods like NUTS. Our findings highlight the potential of ensemble strategies for modeling complex probability distributions in situations where gradients are unavailable. Finally, we showcase its application in the context of Bayesian inversion problems within the geophysical sciences.

This study investigates the hydrodynamics of droplet formation in a T-shaped cylindrical microfluidic device using micro-PIV experiments and CFD simulations. Devices of 150 micro-m internal diameter were fabricated from PDMS via a cost-effective embedded templating method. Flow visualization was conducted using immiscible silicone oil and deionized water, forming water-in-oil droplets. A mathematical model coupling the Navier-Stokes and conservative level-set equations was solved using the finite element method. Detailed flow fields (velocity, pressure, and phase distribution) were obtained over a wide range of flow-rate ratios (0.1-10) and capillary numbers (0.001-0.1) to characterize droplet formation mechanisms. Phase evolution revealed distinct breakup stages (lag, filling, necking, and pinch-off) and multiple regimes (squeezing, dripping, sausage flow, and parallel flow with tip streaming). A regime map delineating droplet and non-droplet regions was developed. Droplet size, curvature, and internal flow profiles exhibited strong dependence on Ca and Qr. Scaling analysis showed linear dependence of droplet size on Qr in the squeezing regime, with curvature nearly independent of Qr. In contrast, both size and curvature followed power-law dependence on Ca and Qr in the dripping regime. Velocity fields inside droplets were laminar and parabolic in the core. Fully developed plug-like profiles appeared in squeezing, whereas front and rear regions remained developing in dripping. Correlations for droplet length, curvature, and film thickness, including a novel thin-film model incorporating visco-inertial and capillary effects, enable predictive design within the studied range. These findings advance fundamental understanding of confined droplet dynamics and provide quantitative guidelines for optimizing droplet-based microfluidic systems.

Self-distillation (SD) is the process of retraining a student on a mixture of ground-truth labels and the teacher's own predictions using the same architecture and training data. Although SD has been empirically shown to often improve generalization, its formal guarantees remain limited. We study SD for ridge regression in unconstrained setting in which the mixing weight ξ may be outside the unit interval. Conditioned on the training data and without any distributional assumptions, we prove that for any squared prediction risk (including out-of-distribution), the optimally mixed student strictly improves upon the ridge teacher for every regularization level λ> 0 at which the teacher ridge risk R(λ) is nonstationary (i.e., R'(λ) neq 0). We obtain a closed-form expression for the optimal mixing weight ξ^star(λ) for any value of λ and show that it obeys the sign rule: sign(ξ^star(λ))=-sign(R'(λ)). In particular, ξ^star(λ) can be negative, which is the case in over-regularized regimes. To quantify the risk improvement due to SD, we derive exact deterministic equivalents for the optimal SD risk in the proportional asymptotics regime (where the sample and feature sizes n and p both diverge but their aspect ratio p/n converges) under general anisotropic covariance and deterministic signals. Our asymptotic analysis extends standard second-order ridge deterministic equivalents to their fourth-order analogs using block linearization, which may be of independent interest. From a practical standpoint, we propose a consistent one-shot tuning method to estimate ξ^star without grid search, sample splitting, or refitting. Experiments on real-world datasets and pretrained neural network features support our theory and the one-shot tuning method.

We study the robustness of stochastic mirror descent (SMD) under heavy-tailed noise, focusing on whether the method retains its convergence guarantees when run with infinite-variance stochastic gradient input. To address this question in a principled manner, we begin by introducing a continuous-time model of SMD as a stochastic differential equation (SDE) driven by a centered Lévy noise process with finite p-th order moments, 1 < p leq 2. This scheme -- which we call the Lévy mirror flow (LMF) -- arises naturally as the scaling limit of SMD in the presence of heavy-tailed noise. In particular, when p < 2 -- the heavy noise regime -- the trajectories of LMF generically exhibit jump discontinuities of arbitrary magnitude which, if frequent enough, lead to infinite variance. Nonetheless, despite this highly singular behavior, we show that LMF attains ε-optimality within O(ε^{-p/(p-1)}) time in the convex case, and within tilde O(ε^{-1/(p-1)}) time for (relatively) strongly convex objectives. These guarantees provide a transparent characterization of the impact of frequent long jumps on the convergence of the process, and percolate to a series of matching discrete-time guarantees for several variants of SMD under heavy-tailed noise.

Generative modeling of crystal data distribution is an important yet challenging task due to the unique periodic physical symmetry of crystals. Diffusion-based methods have shown early promise in modeling crystal distribution. More recently, Bayesian Flow Networks were introduced to aggregate noisy latent variables, resulting in a variance-reduced parameter space that has been shown to be advantageous for modeling Euclidean data distributions with structural constraints (Song et al., 2023). Inspired by this, we seek to unlock its potential for modeling variables located in non-Euclidean manifolds e.g. those within crystal structures, by overcoming challenging theoretical issues. We introduce CrysBFN, a novel crystal generation method by proposing a periodic Bayesian flow, which essentially differs from the original Gaussian-based BFN by exhibiting non-monotonic entropy dynamics. To successfully realize the concept of periodic Bayesian flow, CrysBFN integrates a new entropy conditioning mechanism and empirically demonstrates its significance compared to time-conditioning. Extensive experiments over both crystal ab initio generation and crystal structure prediction tasks demonstrate the superiority of CrysBFN, which consistently achieves new state-of-the-art on all benchmarks. Surprisingly, we found that CrysBFN enjoys a significant improvement in sampling efficiency, e.g., ~100x speedup 10 v.s. 2000 steps network forwards) compared with previous diffusion-based methods on MP-20 dataset. Code is available at https://github.com/wu-han-lin/CrysBFN.

Several recent trends in machine learning theory and practice, from the design of state-of-the-art Gaussian Process to the convergence analysis of deep neural nets (DNNs) under stochastic gradient descent (SGD), have found it fruitful to study wide random neural networks. Central to these approaches are certain scaling limits of such networks. We unify these results by introducing a notion of a straightline tensor program that can express most neural network computations, and we characterize its scaling limit when its tensors are large and randomized. From our framework follows (1) the convergence of random neural networks to Gaussian processes for architectures such as recurrent neural networks, convolutional neural networks, residual networks, attention, and any combination thereof, with or without batch normalization; (2) conditions under which the gradient independence assumption -- that weights in backpropagation can be assumed to be independent from weights in the forward pass -- leads to correct computation of gradient dynamics, and corrections when it does not; (3) the convergence of the Neural Tangent Kernel, a recently proposed kernel used to predict training dynamics of neural networks under gradient descent, at initialization for all architectures in (1) without batch normalization. Mathematically, our framework is general enough to rederive classical random matrix results such as the semicircle and the Marchenko-Pastur laws, as well as recent results in neural network Jacobian singular values. We hope our work opens a way toward design of even stronger Gaussian Processes, initialization schemes to avoid gradient explosion/vanishing, and deeper understanding of SGD dynamics in modern architectures.

In this note, we show that the Local Molecular Field theory of Weeks et. al. can be re-derived as an extremum problem for an approximate Helmholtz free energy. Using the resulting free energy as a classical, fluid density functional yields an implicit solvent method identical in form to the Molecular Density Functional theory of Borgis et. al., but with an explicit formula for the 'ideal' free energy term. This new expression for the ideal free energy term can be computed from all-atom molecular dynamics of a solvent with only short-range interactions. The key hypothesis required to make the theory valid is that all smooth (and hence long-range) energy functions obey Gaussian statistics. This is essentially a random phase approximation for perturbations from a short-range only, 'reference,' fluid. This single hypothesis is enough to prove that the self-consistent LMF procedure minimizes a novel density functional whose 'ideal' free energy is the molecular system under a specific, reference Hamiltonian, as opposed to the non-interacting gas of conventional density functionals. Implementation of this new functional into existing software should be straightforward and robust.

Lagrangian turbulence lies at the core of numerous applied and fundamental problems related to the physics of dispersion and mixing in engineering, bio-fluids, atmosphere, oceans, and astrophysics. Despite exceptional theoretical, numerical, and experimental efforts conducted over the past thirty years, no existing models are capable of faithfully reproducing statistical and topological properties exhibited by particle trajectories in turbulence. We propose a machine learning approach, based on a state-of-the-art diffusion model, to generate single-particle trajectories in three-dimensional turbulence at high Reynolds numbers, thereby bypassing the need for direct numerical simulations or experiments to obtain reliable Lagrangian data. Our model demonstrates the ability to reproduce most statistical benchmarks across time scales, including the fat-tail distribution for velocity increments, the anomalous power law, and the increased intermittency around the dissipative scale. Slight deviations are observed below the dissipative scale, particularly in the acceleration and flatness statistics. Surprisingly, the model exhibits strong generalizability for extreme events, producing events of higher intensity and rarity that still match the realistic statistics. This paves the way for producing synthetic high-quality datasets for pre-training various downstream applications of Lagrangian turbulence.

Diffusion models, which employ stochastic differential equations to sample images through integrals, have emerged as a dominant class of generative models. However, the rationality of the diffusion process itself receives limited attention, leaving the question of whether the problem is well-posed and well-conditioned. In this paper, we uncover a vexing propensity of diffusion models: they frequently exhibit the infinite Lipschitz near the zero point of timesteps. This poses a threat to the stability and accuracy of the diffusion process, which relies on integral operations. We provide a comprehensive evaluation of the issue from both theoretical and empirical perspectives. To address this challenge, we propose a novel approach, dubbed E-TSDM, which eliminates the Lipschitz singularity of the diffusion model near zero. Remarkably, our technique yields a substantial improvement in performance, e.g., on the high-resolution FFHQ dataset (256times256). Moreover, as a byproduct of our method, we manage to achieve a dramatic reduction in the Frechet Inception Distance of other acceleration methods relying on network Lipschitz, including DDIM and DPM-Solver, by over 33%. We conduct extensive experiments on diverse datasets to validate our theory and method. Our work not only advances the understanding of the general diffusion process, but also provides insights for the design of diffusion models.

Latent Consistency Model (LCM) extends the Consistency Model to the latent space and leverages the guided consistency distillation technique to achieve impressive performance in accelerating text-to-image synthesis. However, we observed that LCM struggles to generate images with both clarity and detailed intricacy. To address this limitation, we initially delve into and elucidate the underlying causes. Our investigation identifies that the primary issue stems from errors in three distinct areas. Consequently, we introduce Trajectory Consistency Distillation (TCD), which encompasses trajectory consistency function and strategic stochastic sampling. The trajectory consistency function diminishes the distillation errors by broadening the scope of the self-consistency boundary condition and endowing the TCD with the ability to accurately trace the entire trajectory of the Probability Flow ODE. Additionally, strategic stochastic sampling is specifically designed to circumvent the accumulated errors inherent in multi-step consistency sampling, which is meticulously tailored to complement the TCD model. Experiments demonstrate that TCD not only significantly enhances image quality at low NFEs but also yields more detailed results compared to the teacher model at high NFEs.

When training neural networks, it has been widely observed that a large step size is essential in stochastic gradient descent (SGD) for obtaining superior models. However, the effect of large step sizes on the success of SGD is not well understood theoretically. Several previous works have attributed this success to the stochastic noise present in SGD. However, we show through a novel set of experiments that the stochastic noise is not sufficient to explain good non-convex training, and that instead the effect of a large learning rate itself is essential for obtaining best performance.We demonstrate the same effects also in the noise-less case, i.e. for full-batch GD. We formally prove that GD with large step size -- on certain non-convex function classes -- follows a different trajectory than GD with a small step size, which can lead to convergence to a global minimum instead of a local one. Our settings provide a framework for future analysis which allows comparing algorithms based on behaviors that can not be observed in the traditional settings.

Individual chemically active drops suspended in a surfactant solution were observed to self-propel spontaneously with straight, helical, or chaotic trajectories. To elucidate how these drops can exhibit such strikingly different dynamics and `decide' what to do, we propose a minimal axisymmetric model of a spherical active drop, and show that simple and linear interface properties can lead to both steady self-propulsion of the droplet as well as chaotic behavior. The model includes two different mobility mechanisms, namely, diffusiophoresis and the Marangoni effect, that convert self-generated gradients of surfactant concentration into the flow at the droplet surface. In turn, surface-driven flow initiates surfactant advection that is the only nonlinear mechanism and, thus, the only source of dynamical complexity in our model. Numerical investigation of the fully-coupled hydrodynamic and advection diffusion problems reveals that strong advection (e.g., large droplet size) may destabilize a steadily self-propelling drop; once destabilized, the droplet spontaneously stops and a symmetric extensile flow emerges. If advection is strengthened even further in comparison with molecular diffusion, the droplet may perform chaotic oscillations. Our results indicate that the thresholds of these instabilities depend heavily on the balance between diffusiophoresis and the Marangoni effect. Using linear stability analysis, we demonstrate that diffusiophoresis promotes the onset of high-order modes of monotonic instability of the motionless drop. We argue that diffusiophoresis has a similar effect on the instabilities of a moving drop.

We revisit Tirole's classic paper "Asset Bubbles and Overlapping Generations" (1985, Econometrica) in the case of a dividend-paying asset. Recently, Pham and Toda (2026) constructed a counterexample to Proposition 1(c), showing that Tirole's equilibrium classification is incorrect as stated and that long-run outcomes can depend on initial capital. This paper characterizes the entire set of equilibrium initial asset prices under capital over-accumulation. Exactly one of three regimes occurs: (i) a unique bubbleless equilibrium with capital converging to zero (capital collapse), (ii) a unique asymptotically bubbly equilibrium converging to a positive steady state (bubble necessity), or (iii) a continuum of equilibria with different long-run bubble behavior (indeterminacy). We further derive a threshold for initial capital under the bubble necessity condition, establish preference-free sufficient conditions for capital collapse, and show that the continuum in the pure bubble model survives sufficiently small dividend perturbations. Closed-form examples illustrate the possible long-run outcomes.

We solve a longstanding problem in Bernoulli percolation: we derive sharp Ornstein--Zernike asymptotics for the probability that two distant points are connected by a finite cluster in the whole supercritical regime. Our proof has two main ingredients. First, the renewal structure from Fridbergh and Hammond (2024) yields an a priori bound on cluster volume. Second, we adapt the coarse-graining and irreducible-cluster framework of Companion, Ioffe, Velenik (2008) to finite supercritical connections. The main distinction from the subcritical analysis is that our argument does not require a separation of masses between irreducible and unrestricted finite connections. The volume bound and a modified coarse-graining construction instead provide stretched-exponential tails for the effective random-walk increments, which suffice to obtain the sharp asymptotics.

The impact of randomness on model training is poorly understood. How do differences in data order and initialization actually manifest in the model, such that some training runs outperform others or converge faster? Furthermore, how can we interpret the resulting training dynamics and the phase transitions that characterize different trajectories? To understand the effect of randomness on the dynamics and outcomes of neural network training, we train models multiple times with different random seeds and compute a variety of metrics throughout training, such as the L_2 norm, mean, and variance of the neural network's weights. We then fit a hidden Markov model (HMM) over the resulting sequences of metrics. The HMM represents training as a stochastic process of transitions between latent states, providing an intuitive overview of significant changes during training. Using our method, we produce a low-dimensional, discrete representation of training dynamics on grokking tasks, image classification, and masked language modeling. We use the HMM representation to study phase transitions and identify latent "detour" states that slow down convergence.

Training neural PDE solvers is often bottlenecked by expensive data generation or unstable physics-informed neural network (PINN) involving challenging optimization landscapes due to higher-order derivatives. To tackle this issue, we propose an alternative approach using Monte Carlo approaches to estimate the solution to the PDE as a stochastic process for weak supervision during training. Leveraging the Walk-on-Spheres method, we introduce a learning scheme called Walk-on-Spheres Neural Operator (WoS-NO) which uses weak supervision from WoS to train any given neural operator. We propose to amortize the cost of Monte Carlo walks across the distribution of PDE instances using stochastic representations from the WoS algorithm to generate cheap, noisy, estimates of the PDE solution during training. This is formulated into a data-free physics-informed objective where a neural operator is trained to regress against these weak supervisions, allowing the operator to learn a generalized solution map for an entire family of PDEs. This strategy does not require expensive pre-computed datasets, avoids computing higher-order derivatives for loss functions that are memory-intensive and unstable, and demonstrates zero-shot generalization to novel PDE parameters and domains. Experiments show that for the same number of training steps, our method exhibits up to 8.75times improvement in L_2-error compared to standard physics-informed training schemes, up to 6.31times improvement in training speed, and reductions of up to 2.97times in GPU memory consumption. We present the code at https://github.com/neuraloperator/WoS-NO

Generating continuous-time, continuous-space stochastic processes (e.g., videos, weather forecasts) conditioned on partial observations (e.g., first and last frames) is a fundamental challenge. Existing approaches, (e.g., diffusion models), suffer from key limitations: (1) noise-to-data evolution fails to capture structural similarity between states close in physical time and has unstable integration in low-step regimes; (2) random noise injected is insensitive to the physical process's time elapsed, resulting in incorrect dynamics; (3) they overlook conditioning on arbitrary subsets of states (e.g., irregularly sampled timesteps, future observations). We propose ABC: Any-Subset Autoregressive Models via Non-Markovian Diffusion Bridges in Continuous Time and Space. Crucially, we model the process with one continual SDE whose time variable and intermediate states track the real time and process states. This has provable advantages: (1) the starting point for generating future states is the already-close previous state, rather than uninformative noise; (2) random noise injection scales with physical time elapsed, encouraging physically plausible dynamics with similar time-adjacent states. We derive SDE dynamics via changes-of-measure on path space, yielding another advantage: (3) path-dependent conditioning on arbitrary subsets of the state history and/or future. To learn these dynamics, we derive a path- and time-dependent extension of denoising score matching. Our experiments show ABC's superiority to competing methods on multiple domains, including video generation and weather forecasting.

Constant-stepsize stochastic approximation (SA) is widely used in learning for computational efficiency. For a fixed stepsize, the iterates typically admit a stationary distribution that is rarely tractable. Prior work shows that as the stepsize αdownarrow 0, the centered-and-scaled steady state converges weakly to a Gaussian random vector. However, for fixed α, this weak convergence offers no usable error bound for approximating the steady-state by its Gaussian limit. This paper provides explicit, non-asymptotic error bounds for fixed α. We first prove general-purpose theorems that bound the Wasserstein distance between the centered-scaled steady state and an appropriate Gaussian distribution, under regularity conditions for drift and moment conditions for noise. To ensure broad applicability, we cover both i.i.d. and Markovian noise models. We then instantiate these theorems for three representative SA settings: (1) stochastic gradient descent (SGD) for smooth strongly convex objectives, (2) linear SA, and (3) contractive nonlinear SA. We obtain dimension- and stepsize-dependent, explicit bounds in Wasserstein distance of order α^{1/2}log(1/α) for small α. Building on the Wasserstein approximation error, we further derive non-uniform Berry--Esseen-type tail bounds that compare the steady-state tail probability to Gaussian tails. We achieve an explicit error term that decays in both the deviation level and stepsize α. We adapt the same analysis for SGD beyond strongly convexity and study general convex objectives. We identify a non-Gaussian (Gibbs) limiting law under the correct scaling, which is validated numerically, and provide a corresponding pre-limit Wasserstein error bound.

We provide a theoretical framework to analyze the properties of frontal collisions of two growing interfaces considering different short range interactions between them. Due to their roughness, the collision events spread in time and form rough domain boundaries, which defines collision interfaces in time and space. We show that statistical properties of such interfaces depend on the kinetics of the growing interfaces before collision, but are independent of the details of their interaction and of their fluctuations during the collision. Those properties exhibit dynamic scaling with exponents related to the growth kinetics, but their distributions may be non-universal. These results are supported by simulations of lattice models with irreversible dynamics and local interactions. Relations to first passage processes are discussed and a possible application to grain boundary formation in two-dimensional materials is suggested.

The iterative sampling procedure employed by diffusion models (DMs) often leads to significant inference latency. To address this, we propose Stochastic Consistency Distillation (SCott) to enable accelerated text-to-image generation, where high-quality generations can be achieved with just 1-2 sampling steps, and further improvements can be obtained by adding additional steps. In contrast to vanilla consistency distillation (CD) which distills the ordinary differential equation solvers-based sampling process of a pretrained teacher model into a student, SCott explores the possibility and validates the efficacy of integrating stochastic differential equation (SDE) solvers into CD to fully unleash the potential of the teacher. SCott is augmented with elaborate strategies to control the noise strength and sampling process of the SDE solver. An adversarial loss is further incorporated to strengthen the sample quality with rare sampling steps. Empirically, on the MSCOCO-2017 5K dataset with a Stable Diffusion-V1.5 teacher, SCott achieves an FID (Frechet Inceptio Distance) of 22.1, surpassing that (23.4) of the 1-step InstaFlow (Liu et al., 2023) and matching that of 4-step UFOGen (Xue et al., 2023b). Moreover, SCott can yield more diverse samples than other consistency models for high-resolution image generation (Luo et al., 2023a), with up to 16% improvement in a qualified metric. The code and checkpoints are coming soon.

Score-based Generative Models (SGMs) have achieved state-of-the-art synthesis results on diverse tasks. However, the current design space of the forward diffusion process is largely unexplored and often relies on physical intuition or simplifying assumptions. Leveraging results from the design of scalable Bayesian posterior samplers, we present a complete recipe for constructing forward processes in SGMs, all of which are guaranteed to converge to the target distribution of interest. We show that several existing SGMs can be cast as specific instantiations of this parameterization. Furthermore, building on this recipe, we construct a novel SGM: Phase Space Langevin Diffusion (PSLD), which performs score-based modeling in a space augmented with auxiliary variables akin to a physical phase space. We show that PSLD outperforms competing baselines in terms of sample quality and the speed-vs-quality tradeoff across different samplers on various standard image synthesis benchmarks. Moreover, we show that PSLD achieves sample quality comparable to state-of-the-art SGMs (FID: 2.10 on unconditional CIFAR-10 generation), providing an attractive alternative as an SGM backbone for further development. We will publish our code and model checkpoints for reproducibility at https://github.com/mandt-lab/PSLD.

Scientific measurements such as single-cell RNA (scRNA) sequencing often take the form of nonnegative integer counts, whereas continuous-state diffusion models approximate this discrete structure using continuous coordinates. Building on stochastic chemical reaction networks (CRNs), a class of count-native Markov jump processes, we introduce CRNDiff, a structured framework that combines count-space diffusion with inference-time conditioning on rare subpopulations. An independent birth--death instantiation yields a closed-form transition kernel for forward noising. This kernel enables reverse sampling via forward-filtering backward-sampling (FFBS) and supports data-driven selection of the terminal noising time, eliminating the need for a validation sweep. This tractability also lets us introduce tilted Feynman--Kac (FK) steering, a method for sampling target subpopulations from a frozen generator without retraining. By tilting posterior marginals before FK particle correction, steering mitigates importance-weight concentration when the target population is rare. Using scRNA-seq data from the human heart cell atlas, we test the ability of CRNDiff to generate cell-type-specific distributions. Across the three evaluated target populations, CRNDiff achieves the highest conditional fidelity among the evaluated generative models, with larger mean purity margins for rarer target populations. Generated cells preserve marker-level differential-expression structure. Replacing real training cells for the target classes with generated cells yields downstream classification performance approaching that of the real-data reference.

We study the role of batch size in stochastic conditional gradient methods under a μ-Kurdyka-Łojasiewicz (μ-KL) condition. Focusing on momentum-based stochastic conditional gradient algorithms (e.g., Scion), we derive a new analysis that explicitly captures the interaction between stepsize, batch size, and stochastic noise. Our study reveals a regime-dependent behavior: increasing the batch size initially improves optimization accuracy but, beyond a critical threshold, the benefits saturate and can eventually degrade performance under a fixed token budget. Notably, the theory predicts the magnitude of the optimal stepsize and aligns well with empirical practices observed in large-scale training. Leveraging these insights, we derive principled guidelines for selecting the batch size and stepsize, and propose an adaptive strategy that increases batch size and sequence length during training while preserving convergence guarantees. Experiments on NanoGPT are consistent with the theoretical predictions and illustrate the emergence of the predicted scaling regimes. Overall, our results provide a theoretical framework for understanding batch size scaling in stochastic conditional gradient methods and offer guidance for designing efficient training schedules in large-scale optimization.

The observed cosmological constant may originate as the minimum value U_{min} of a scalar field potential, where the scalar field is frozen due to a large mass. If this vacuum is metastable, it may decay to a true vacuum either at present or in the future. Assuming its decay rate Gamma is comparable to the Hubble expansion rate H_0, we estimate the scale of true vacuum bubbles and analyze their evolution. We find that their initial formation scale is sub-millimeter and their tension causes rapid collapse if m gtrsim 1.7 cdot 10^{-3}, eV. For smaller masses, the bubbles expand at the speed of light. We extend our analysis to scalar-tensor theories with non-minimal coupling, finding that the nucleation scale of gravitational constant bubbles remains consistent with the sub-millimeter regime of General Relativity. The critical mass scale remains around 10^{-3},eV. A theoretical estimate at redshift z_{obs} sim 0.01 suggests an observable bubble radius of sim 50 Mpc, implying a gravitational transition triggered sim 300 Myr ago, with a present-day size approaching 100 Mpc. Additionally, we explore mass ranges (m < 10^{-3},eV) and non-minimal coupling xi ranges (10^{-8},eV^{2-n} - 10^{-1},eV^{2-n}) that lead to a variation Delta G/G_N within the 1%-7% range. We assume non-minimal coupling of the form F(phi)=1/kappa - xi phi^n, with kappa=8pi G_N and 2 leq n leq 9. Finally, we review various local physics or/and transition based proposed solutions to the Hubble tension, including ultra-late-time transitional models (z sim 0.01), screened fifth-force mechanisms, and the Lambda_{rm s}CDM model, which features a transition at z sim 2. We discuss observational hints supporting these scenarios and the theoretical challenges they face.

We present a dynamic model in which the weights are conditioned on an input sample x and are learned to match those that would be obtained by finetuning a base model on x and its label y. This mapping between an input sample and network weights is approximated by a denoising diffusion model. The diffusion model we employ focuses on modifying a single layer of the base model and is conditioned on the input, activations, and output of this layer. Since the diffusion model is stochastic in nature, multiple initializations generate different networks, forming an ensemble, which leads to further improvements. Our experiments demonstrate the wide applicability of the method for image classification, 3D reconstruction, tabular data, speech separation, and natural language processing. Our code is available at https://github.com/ShaharLutatiPersonal/OCD

An increasing number of studies have focused on stochastic first-order methods (SFOMs) under heavy-tailed gradient noises, which have been observed in the training of practical deep learning models. In this paper, we focus on two types of gradient noises: one is sub-Weibull noise, and the other is noise under the assumption that it has a bounded p-th central moment (p-BCM) with pin (1, 2]. The latter is more challenging due to the occurrence of infinite variance when pin (1, 2). Under these two gradient noise assumptions, the in-expectation and high-probability convergence of SFOMs have been extensively studied in the contexts of convex optimization and standard smooth optimization. However, for weakly convex objectives-a class that includes all Lipschitz-continuous convex objectives and smooth objectives-our understanding of the in-expectation and high-probability convergence of SFOMs under these two types of noises remains incomplete. We investigate the high-probability convergence of the vanilla stochastic subgradient descent (SsGD) method under sub-Weibull noises, as well as the high-probability and in-expectation convergence of clipped SsGD under the p-BCM noises. Both analyses are conducted in the context of weakly convex optimization. For weakly convex objectives that may be non-convex and non-smooth, our results demonstrate that the theoretical dependence of vanilla SsGD on the failure probability and number of iterations under sub-Weibull noises does not degrade compared to the case of smooth objectives. Under p-BCM noises, our findings indicate that the non-smoothness and non-convexity of weakly convex objectives do not impact the theoretical dependence of clipped SGD on the failure probability relative to the smooth case; however, the sample complexity we derived is worse than a well-known lower bound for smooth optimization.

In this work, we consider rather general and broad class of Markov chains, Ito chains, that look like Euler-Maryama discretization of some Stochastic Differential Equation. The chain we study is a unified framework for theoretical analysis. It comes with almost arbitrary isotropic and state-dependent noise instead of normal and state-independent one as in most related papers. Moreover, in our chain the drift and diffusion coefficient can be inexact in order to cover wide range of applications as Stochastic Gradient Langevin Dynamics, sampling, Stochastic Gradient Descent or Stochastic Gradient Boosting. We prove the bound in W_{2}-distance between the laws of our Ito chain and corresponding differential equation. These results improve or cover most of the known estimates. And for some particular cases, our analysis is the first.

While diffusion models can successfully generate data and make predictions, they are predominantly designed for static images. We propose an approach for efficiently training diffusion models for probabilistic spatiotemporal forecasting, where generating stable and accurate rollout forecasts remains challenging, Our method, DYffusion, leverages the temporal dynamics in the data, directly coupling it with the diffusion steps in the model. We train a stochastic, time-conditioned interpolator and a forecaster network that mimic the forward and reverse processes of standard diffusion models, respectively. DYffusion naturally facilitates multi-step and long-range forecasting, allowing for highly flexible, continuous-time sampling trajectories and the ability to trade-off performance with accelerated sampling at inference time. In addition, the dynamics-informed diffusion process in DYffusion imposes a strong inductive bias and significantly improves computational efficiency compared to traditional Gaussian noise-based diffusion models. Our approach performs competitively on probabilistic forecasting of complex dynamics in sea surface temperatures, Navier-Stokes flows, and spring mesh systems.

Modeling Lagrangian turbulence remains a fundamental challenge due to its multiscale, intermittent, and non-Gaussian nature. Recent advances in data-driven diffusion models have enabled the generation of realistic Lagrangian velocity trajectories that accurately reproduce statistical properties across scales and capture rare extreme events. This study investigates three key aspects of diffusion-based modeling for Lagrangian turbulence. First, we assess architectural robustness by comparing a U-Net backbone with a transformer-based alternative, finding strong consistency in generated trajectories, with only minor discrepancies at small scales. Second, leveraging a deterministic variant of diffusion model formulation, namely the deterministic denoising diffusion implicit model (DDIM), we identify structured features in the initial latent noise that align consistently with extreme acceleration events. Third, we explore accelerated generation by reducing the number of diffusion steps, and find that DDIM enables substantial speedups with minimal loss of statistical fidelity. These findings highlight the robustness of diffusion models and their potential for interpretable, scalable modeling of complex turbulent systems.

Many events occur in the world. Some event types are stochastically excited or inhibited---in the sense of having their probabilities elevated or decreased---by patterns in the sequence of previous events. Discovering such patterns can help us predict which type of event will happen next and when. We model streams of discrete events in continuous time, by constructing a neurally self-modulating multivariate point process in which the intensities of multiple event types evolve according to a novel continuous-time LSTM. This generative model allows past events to influence the future in complex and realistic ways, by conditioning future event intensities on the hidden state of a recurrent neural network that has consumed the stream of past events. Our model has desirable qualitative properties. It achieves competitive likelihood and predictive accuracy on real and synthetic datasets, including under missing-data conditions.

The 100 MW cryogenic liquid oxygen/hydrogen multi-injector combustor BKD operated by the DLR Institute of Space Propulsion is a research platform that allows the study of thermoacoustic instabilities under realistic conditions, representative of small upper stage rocket engines. We use data from BKD experimental campaigns in which the static chamber pressure and fuel-oxidizer ratio are varied such that the first tangential mode of the combustor is excited under some conditions. We train an autoregressive Bayesian neural network model to forecast the amplitude of the dynamic pressure time series, inputting multiple sensor measurements (injector pressure/ temperature measurements, static chamber pressure, high-frequency dynamic pressure measurements, high-frequency OH* chemiluminescence measurements) and future flow rate control signals. The Bayesian nature of our algorithms allows us to work with a dataset whose size is restricted by the expense of each experimental run, without making overconfident extrapolations. We find that the networks are able to accurately forecast the evolution of the pressure amplitude and anticipate instability events on unseen experimental runs 500 milliseconds in advance. We compare the predictive accuracy of multiple models using different combinations of sensor inputs. We find that the high-frequency dynamic pressure signal is particularly informative. We also use the technique of integrated gradients to interpret the influence of different sensor inputs on the model prediction. The negative log-likelihood of data points in the test dataset indicates that predictive uncertainties are well-characterized by our Bayesian model and simulating a sensor failure event results as expected in a dramatic increase in the epistemic component of the uncertainty.

Diffusion models are a family of generative models that yield record-breaking performance in tasks such as image synthesis, video generation, and molecule design. Despite their capabilities, their efficiency, especially in the reverse denoising process, remains a challenge due to slow convergence rates and high computational costs. In this work, we introduce an approach that leverages continuous dynamical systems to design a novel denoising network for diffusion models that is more parameter-efficient, exhibits faster convergence, and demonstrates increased noise robustness. Experimenting with denoising probabilistic diffusion models, our framework operates with approximately a quarter of the parameters and 30% of the Floating Point Operations (FLOPs) compared to standard U-Nets in Denoising Diffusion Probabilistic Models (DDPMs). Furthermore, our model is up to 70% faster in inference than the baseline models when measured in equal conditions while converging to better quality solutions.

Gaussian process state-space models (GPSSMs) provide a principled and flexible approach to modeling the dynamics of a latent state, which is observed at discrete-time points via a likelihood model. However, inference in GPSSMs is computationally and statistically challenging due to the large number of latent variables in the model and the strong temporal dependencies between them. In this paper, we propose a new method for inference in Bayesian GPSSMs, which overcomes the drawbacks of previous approaches, namely over-simplified assumptions, and high computational requirements. Our method is based on free-form variational inference via stochastic gradient Hamiltonian Monte Carlo within the inducing-variable formalism. Furthermore, by exploiting our proposed variational distribution, we provide a collapsed extension of our method where the inducing variables are marginalized analytically. We also showcase results when combining our framework with particle MCMC methods. We show that, on six real-world datasets, our approach can learn transition dynamics and latent states more accurately than competing methods.

Turbulence is a central testbed for machine learning on physical dynamics because its governing laws are known exactly. However, most existing studies remain in 2D, while 3D turbulence has fundamentally different physics and is far more costly to simulate. Existing 3D resources also typically provide only one realization per configuration, making it difficult to distinguish learning the dynamics from fitting the statistics of a single flow. In this paper, we introduce TIDE (Turbulent Incompressible DNS Ensembles), a 256^3 DNS corpus and benchmark for 3D incompressible turbulence, with 15 configurations on eight controlled axes, independent ensembles, pressure fields, and equation-level verification. The benchmark includes five tasks, standardized learned baselines, controlled generalization splits, and physical-fidelity metrics alongside pointwise error. Across the main forecasting configurations, current learned models barely outperform persistence and still make about twice the error of a spectral solver given the true equations. Moreover, lower pointwise error can coincide with severely distorted small-scale dynamics, showing that accuracy alone does not ensure physical fidelity. Generalization results further show that most regime shifts reflect limited training coverage, whereas forced-to-decay transfer exposes a missing conditioning variable: operators trained under forcing continue to predict driven evolution when the external drive is removed. Closing these accuracy, fidelity, and conditioning gaps is the central open problem made measurable by TIDE.

We consider Walsh's process on a star graph perturbed by the fact that its paths need to additionally pass through semi-permeable soft membranes, each located on a different edge at a small distance from the center, and each having its own permeability coefficient. We describe the limit processes as the distances converge to 0, in terms of the characteristics of the approximating ones. The main finding is that the limit process is still of Walsh type, but its parameters need to be appropriately modified. The paper is a close companion to A. Bobrowski and A. Pilipenko ``On Portenko's approximation of skew Brownian motion'' (arXiv:2601.20440), and to A. Pilipenko and G. Vilmart, ``Limit theorems for one-dimensional diffusions: reflected, skew, sticky, skew-sticky, and snapping-out limits.''

The classical Coulomb gas model has served as one of the most versatile frameworks in statistical physics, connecting a vast range of phenomena across many different areas. Nonequilibrium generalisations of this model have so far been studied much more scarcely. With the abundance of contemporary research into active and driven systems, one would naturally expect that such generalisations of systems with long-ranged Coulomb-like interactions will form a fertile playground for interesting developments. Here, we present two examples of novel macroscopic behaviour that arise from nonequilibrium fluctuations in long-range interacting systems, namely (1) unscreened long-ranged correlations in strong electrolytes driven by an external electric field and the associated fluctuation-induced forces in the confined Casimir geometry, and (2) out-of-equilibrium critical behaviour in self-chemotactic models that incorporate the particle polarity in the chemotactic response of the cells. Both of these systems have nonlocal Coulomb-like interactions among their constituent particles, namely, the electrostatic interactions in the case of the driven electrolyte, and the chemotactic forces mediated by fast-diffusing signals in the case of self-chemotactic systems. The results presented here hint to the rich phenomenology of nonequilibrium effects that can arise from strong fluctuations in Coulomb interacting systems, and a rich variety of potential future directions, which are discussed.

Diffusion models are often introduced from multiple perspectives, such as VAEs, score matching, or flow matching, accompanied by dense and technically demanding mathematics that can be difficult for beginners to grasp. One classic question is: how does the reverse process invert the forward process to generate data from pure noise? This article systematically organizes the diffusion model from a fresh Langevin perspective, offering a simpler, clearer, and more intuitive answer. We also address the following questions: how can ODE-based and SDE-based diffusion models be unified under a single framework? Why are diffusion models theoretically superior to ordinary VAEs? Why is flow matching not fundamentally simpler than denoising or score matching, but equivalent under maximum-likelihood? We demonstrate that the Langevin perspective offers clear and straightforward answers to these questions, bridging existing interpretations of diffusion models, showing how different formulations can be converted into one another within a common framework, and offering pedagogical value for both learners and experienced researchers seeking deeper intuition.

Recent advances integrate physically grounded Newtonian dynamics with neural rendering frameworks, narrowing the gap between photorealistic scene reconstruction and physics-based animation. However, existing approaches focus on mechanically driven dynamics while neglecting temperature, a fundamental yet invisible physical factor underlying phenomena such as melting, solidification, and other thermomechanical processes. In this paper, we propose MeGAS, a novel framework that incorporates thermomechanical phase-change dynamics into 3D Gaussian Splatting (3DGS). Specifically, we propose a new thermomechanical dynamic Gaussian Splatting representation that augments 3DGS with temperature attributes and employs a heat advection-diffusion solver with MPM dynamics incorporating phase transitions, enabling physically plausible and visually realistic synthesis of thermophysical phenomena. Furthermore, a new topology-adaptive Gaussian rendering strategy is proposed to mitigate cracking and floaters under extreme deformation. Extensive experiments demonstrate that MeGAS produces physically consistent thermomechanical behavior while maintaining high-fidelity photorealistic rendering, advancing toward physics-integrated world models.

The friction coefficient of a particle can depend on its position as it does when the particle is near a wall. We formulate the dynamics of particles with such state-dependent friction coefficients in terms of a general Langevin equation with multiplicative noise, whose evaluation requires the introduction of specific rules. Two common conventions, the Ito and the Stratonovich, provide alternative rules for evaluation of the noise, but other conventions are possible. We show the requirement that a particle's distribution function approach the Boltzmann distribution at long times dictates that a drift term must be added to the Langevin equation. This drift term is proportional to the derivative of the diffusion coefficient times a factor that depends on the convention used to define the multiplicative noise. We explore the consequences of this result in a number examples with spatially varying diffusion coefficients. We also derive path integral representations for arbitrary interpretation of the noise, and use it in a perturbative study of correlations in a simple system.

We examine whether the perturbative renormalization group (RG) regime of stochastic turbulence can be continued from small varepsilon to the physical value varepsilon_{phys}=2, corresponding to large-scale forcing. Exploiting the simplifications of the large-d limit, we calculate the correction exponent ω to five-loop order and find a simple structure suggesting a closed analytic form. This form implies that the fixed point stable near varepsilon=0 ceases to be simultaneously real and infrared stable before reaching varepsilon_{phys}=2, pointing to a possible change of infrared regime rather than a controlled perturbative RG extrapolation.

We propose a new method called the N-particle underdamped Langevin algorithm for optimizing a special class of non-linear functionals defined over the space of probability measures. Examples of problems with this formulation include training mean-field neural networks, maximum mean discrepancy minimization and kernel Stein discrepancy minimization. Our algorithm is based on a novel spacetime discretization of the mean-field underdamped Langevin dynamics, for which we provide a new, fast mixing guarantee. In addition, we demonstrate that our algorithm converges globally in total variation distance, bridging the theoretical gap between the dynamics and its practical implementation.

Despite the remarkable success of diffusion models in image generation, slow sampling remains a persistent issue. To accelerate the sampling process, prior studies have reformulated diffusion sampling as an ODE/SDE and introduced higher-order numerical methods. However, these methods often produce divergence artifacts, especially with a low number of sampling steps, which limits the achievable acceleration. In this paper, we investigate the potential causes of these artifacts and suggest that the small stability regions of these methods could be the principal cause. To address this issue, we propose two novel techniques. The first technique involves the incorporation of Heavy Ball (HB) momentum, a well-known technique for improving optimization, into existing diffusion numerical methods to expand their stability regions. We also prove that the resulting methods have first-order convergence. The second technique, called Generalized Heavy Ball (GHVB), constructs a new high-order method that offers a variable trade-off between accuracy and artifact suppression. Experimental results show that our techniques are highly effective in reducing artifacts and improving image quality, surpassing state-of-the-art diffusion solvers on both pixel-based and latent-based diffusion models for low-step sampling. Our research provides novel insights into the design of numerical methods for future diffusion work.

We study the emergence of multi-step reasoning in deep Transformer language models through a geometric and statistical-physics lens. Treating the hidden-state trajectory as a flow on an implicit Riemannian manifold, we analyze the layerwise covariance spectrum of activations, where C^{(ell)}=E[h^{(ell)}h^{(ell)top}], and track deviations from a random-matrix bulk. Across model scales (1.5B--30B), we observe a sharp reduction in effective dimensionality consistent with a phase transition: an order parameter based on sparsity/localization, Ω(h)=1-|h|_1/(d|h|_2), exhibits a discontinuity near a critical normalized depth γ_capprox 0.42 in sufficiently large models. We formalize the forward pass as a discrete coarse-graining map and relate the appearance of stable "concept basins" to fixed points of this renormalization-like dynamics. The resulting low-entropy regime is characterized by a spectral tail collapse and by the formation of transient, reusable object-like structures in representation space, which we call Transient Class Objects (TCOs). We provide theoretical conditions connecting logical separability to spectral decay and validate the predicted signatures with layerwise probes on multiple open-weight model families.

In contrast to entropy, which increases monotonically, the "complexity" or "interestingness" of closed systems seems intuitively to increase at first and then decrease as equilibrium is approached. For example, our universe lacked complex structures at the Big Bang and will also lack them after black holes evaporate and particles are dispersed. This paper makes an initial attempt to quantify this pattern. As a model system, we use a simple, two-dimensional cellular automaton that simulates the mixing of two liquids ("coffee" and "cream"). A plausible complexity measure is then the Kolmogorov complexity of a coarse-grained approximation of the automaton's state, which we dub the "apparent complexity." We study this complexity measure, and show analytically that it never becomes large when the liquid particles are non-interacting. By contrast, when the particles do interact, we give numerical evidence that the complexity reaches a maximum comparable to the "coffee cup's" horizontal dimension. We raise the problem of proving this behavior analytically.

A long standing challenge in computational chemistry and biophysics is efficiently sampling the Boltzmann distribution of molecules. Advances in generative modeling have been proposed to address the limitations of conventional sampling techniques by eliminating the computational cost of simulation. A promising direction is iteratively finetuning diffusion models along a temperature ladder whereby training data is generated via importance sampling during inference-time annealing. Unfortunately, these methods require computing a divergence over the score field to estimate importance weights, rendering them intractable for larger systems. Here we present scalable inference-time annealing (SITA), which retrains flow-based models to generate samples at progressively lower temperatures using an energy-based model to facilitate fast surrogate likelihoods. We demonstrate state-of-the-art performance on both Alanine Dipeptide and Alanine Tripeptide while avoiding costly divergence terms. Our code is available at https://github.com/countrsignal/sita.git

Approximations based on moment-closure (MA) are commonly used to obtain estimates of the mean molecule numbers and of the variance of fluctuations in the number of molecules of chemical systems. The advantage of this approach is that it can be far less computationally expensive than exact stochastic simulations of the chemical master equation. Here we numerically study the conditions under which the MA equations yield results reflecting the true stochastic dynamics of the system. We show that for bistable and oscillatory chemical systems with deterministic initial conditions, the solution of the MA equations can be interpreted as a valid approximation to the true moments of the CME, only when the steady-state mean molecule numbers obtained from the chemical master equation fall within a certain finite range. The same validity criterion for monostable systems implies that the steady-state mean molecule numbers obtained from the chemical master equation must be above a certain threshold. For mean molecule numbers outside of this range of validity, the MA equations lead to either qualitatively wrong oscillatory dynamics or to unphysical predictions such as negative variances in the molecule numbers or multiple steady-state moments of the stationary distribution as the initial conditions are varied. Our results clarify the range of validity of the MA approach and show that pitfalls in the interpretation of the results can only be overcome through the systematic comparison of the solutions of the MA equations of a certain order with those of higher orders.

Whether physics foundation models can be usefully deployed on laboratory experiments remains an open question for scientific machine learning (ML). We test this question on the Rayleigh-Taylor instability (RTI), a ubiquitous and demanding fluid instability seen from tabletop flows to supernova explosions, in which small perturbations at a density interface grow into chaotic, multiscale mixing as a lighter fluid accelerates into a heavier one. Standard ML models struggle with RTI, and despite over a century of theoretical, numerical, and experimental work, it carries an unresolved discrepancy between simulation and experiment: the late-time mixing growth rate, α, measured in most laboratory experiments (sim 0.06-0.07), is roughly three times the value from idealized direct numerical simulations (DNS, sim 0.02). The gap's origin remains debated. These properties make RTI a stringent test for a question that matters well beyond RTI: can foundation models trained only on simulations generalise to sparse, messy, and noisy laboratory settings? We finetune Walrus, a foundation model for continuum dynamics, on three or fewer DNS realizations and recover key RTI physics over long rollouts. Applied zero-shot to sliding-barrier laboratory data, the finetuned model leaves the DNS-like regime and enters the observed growth band, having never seen a single experimental sample. These results provide independent, data-driven evidence that initial conditions play a crucial role in the longstanding sim-experiment gap in α. The model also generalises zero-shot to stable stratification, a buoyancy regime absent from training, correctly slowing mixing-layer growth. Together, our results show that foundation models can generalise well beyond their training data, predicting laboratory behavior and unseen physical regimes, opening new ways to probe longstanding simulation-experiment gaps.

A stochastic energetics framework is applied to examine how periodically shifting the frequency of a time-dependent oscillating temperature gradient affects heat transport in a nanoscale molecular model. We specifically examine the effects that frequency switching, i.e., instantaneously changing the oscillation frequency of the temperature gradient, has on the shape of the heat transport hysteresis curves generated by a particle connected to two thermal baths, each with a temperature that is oscillating in time. Analytical expressions are derived for the energy fluxes in/out of the system and the baths, with excellent agreement observed between the analytical expressions and the results from nonequilibrium molecular dynamics simulations. We find that the shape of the heat transport hysteresis curves can be significantly altered by shifting the frequency between fast and slow oscillation regimes. We also observe the emergence of features in the hysteresis curves such as pinched loops and complex multi-loop patterns due to the frequency shifting. The presented results have implications in the design of thermal neuromorphic devices such as thermal memristors and thermal memcapacitors.

Normalizing flows can transform a simple prior probability distribution into a more complex target distribution. Here, we evaluate the ability and efficiency of generative machine learning methods to sample the Boltzmann distribution of an atomistic model for glass-forming liquids. This is a notoriously difficult task, as it amounts to ergodically exploring the complex free energy landscape of a disordered and frustrated many-body system. We optimize a normalizing flow model to successfully transform high-temperature configurations of a dense liquid into low-temperature ones, near the glass transition. We perform a detailed comparative analysis with established enhanced sampling techniques developed in the physics literature to assess and rank the performance of normalizing flows against state-of-the-art algorithms. We demonstrate that machine learning methods are very promising, showing a large speedup over conventional molecular dynamics. Normalizing flows show performances comparable to parallel tempering and population annealing, while still falling far behind the swap Monte Carlo algorithm. Our study highlights the potential of generative machine learning models in scientific computing for complex systems, but also points to some of its current limitations and the need for further improvement.

Uniform-state discrete diffusion models hold the promise of fast text generation due to their inherent ability to self-correct. However, they are typically outperformed by autoregressive models and masked diffusion models. In this work, we narrow this performance gap by leveraging a key insight: Uniform-state diffusion processes naturally emerge from an underlying Gaussian diffusion. Our method, Duo, transfers powerful techniques from Gaussian diffusion to improve both training and sampling. First, we introduce a curriculum learning strategy guided by the Gaussian process, doubling training speed by reducing variance. Models trained with curriculum learning surpass autoregressive models in zero-shot perplexity on 3 of 7 benchmarks. Second, we present Discrete Consistency Distillation, which adapts consistency distillation from the continuous to the discrete setting. This algorithm unlocks few-step generation in diffusion language models by accelerating sampling by two orders of magnitude. We provide the code and model checkpoints on the project page: http://s-sahoo.github.io/duo

Originating from the diffusion phenomenon in physics that describes particle movement, the diffusion generative models inherit the characteristics of stochastic random walk in the data space along the denoising trajectory. However, the intrinsic mutual interference among image regions contradicts the need for practical downstream application scenarios where the preservation of low-level pixel information from given conditioning is desired (e.g., customization tasks like personalized generation and inpainting based on a user-provided single image). In this work, we investigate the diffusion (physics) in diffusion (machine learning) properties and propose our Cyclic One-Way Diffusion (COW) method to control the direction of diffusion phenomenon given a pre-trained frozen diffusion model for versatile customization application scenarios, where the low-level pixel information from the conditioning needs to be preserved. Notably, unlike most current methods that incorporate additional conditions by fine-tuning the base text-to-image diffusion model or learning auxiliary networks, our method provides a novel perspective to understand the task needs and is applicable to a wider range of customization scenarios in a learning-free manner. Extensive experiment results show that our proposed COW can achieve more flexible customization based on strict visual conditions in different application settings. Project page: https://wangruoyu02.github.io/cow.github.io/.

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.

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.

We provide a rigorous derivation of Boltzmann's kinetic equation from the hard sphere system for rarefied gas, which is valid for arbitrarily long times, as long as the solution to the Boltzmann equation exists. This extends Lanford's landmark theorem (1975), which justifies this derivation for a sufficiently short time. In a companion paper (arXiv:2503.01800), we connect this derivation to existing literature on hydrodynamic limits. This completes the resolution of Hilbert's Sixth Problem pertaining to the derivation of fluid equations from Newton's laws, in the case of a rarefied, hard sphere gas. The general strategy follows the paradigm introduced by the first two authors for the long-time derivation of the wave kinetic equation in wave turbulence theory. This is based on propagating a long-time cumulant ansatz, which keeps memory of the full collision history of the relevant particles, by an important partial time expansion. The heart of the matter is proving the smallness of these cumulants in L^1, which can be reduced to combinatorial properties for the associated diagrams which we call molecules. These properties are then proved by devising an elaborate cutting algorithm, which is a major novelty of this work.

An expanding bubble in AdS_5 has a dS_4 geometry; the dark bubble scenario explores whether this can be our Universe. Motivated by this, we consider new non-supersymmetric AdS_5 compactifications of M-theory and investigate their non-perturbative instabilities. We focus on a compactification on the flag manifold. In certain regions of the flux landscape, the non-supersymmetric vacua become unstable under the nucleation of M5-brane bubbles wrapping an internal two-cycle, thus realising the dark bubble scenario. The cosmological constant on the bubble can be made parametrically small by tuning the internal fluxes, making the M5-branes close to the extremality bound. The solution relates the induced cosmological constant on the brane and the typical largest length scale of the extra dimensions through R^{-1}sim Λ_4^{1/4} in 4d Planck units, allowing for extra dimensions of the order of tens of microns. We also consider various alternatives, which for various reasons are currently not as successful.